data_1xjh_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 1xjh _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 N--CA 1.478 0.964 0 N-CA-C 112.234 0.457 . . . . 10.0 112.234 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 32.2 ttp85 -55.02 -30.17 58.95 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 124.585 1.154 . . . . 10.0 112.4 176.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -56.16 -31.6 63.54 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.407 1.483 . . . . 10.0 112.286 177.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -70.88 -45.42 64.42 Favored 'General case' 0 N--CA 1.477 0.877 0 O-C-N 121.15 -0.969 . . . . 10.0 110.272 176.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 17.3 t -61.6 -41.94 98.15 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.811 0.844 . . . . 10.0 110.944 174.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.49 -43.93 97.62 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.68 1.192 . . . . 10.0 111.785 176.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -60.88 -41.34 95.79 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 121.232 -0.917 . . . . 10.0 111.366 176.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.46 -33.57 72.76 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.24 1.016 . . . . 10.0 112.638 175.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.0 tp -75.84 -45.28 36.63 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.211 1.404 . . . . 10.0 110.292 176.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.8 tmtt? -53.52 -32.06 48.84 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 126.187 1.795 . . . . 10.0 115.147 -178.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 43.5 p -81.03 -12.5 59.33 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 114.664 1.357 . . . . 10.0 114.664 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 86.7 mt -69.23 153.0 96.38 Favored Pre-proline 0 CA--C 1.55 0.95 0 CA-C-N 119.661 1.118 . . . . 10.0 111.741 178.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -52.79 133.6 51.29 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 123.36 2.707 . . . . 10.0 112.882 178.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -56.98 -40.81 77.23 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.201 0.6 . . . . 10.0 112.31 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -64.99 -35.4 81.06 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.617 0.767 . . . . 10.0 112.922 177.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -69.74 -47.54 62.65 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 121.47 -0.768 . . . . 10.0 110.988 177.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 88.5 t -61.12 -46.94 95.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 123.544 0.738 . . . . 10.0 110.054 177.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -61.44 -39.63 91.53 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.573 0.749 . . . . 10.0 112.314 177.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 75.3 m -60.85 -44.21 97.29 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 118.734 0.697 . . . . 10.0 112.219 178.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 66.1 mt -65.41 -45.58 92.63 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 CA-C-N 118.675 0.671 . . . . 10.0 110.101 177.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 97.3 mt -60.54 -36.6 78.82 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 121.301 -0.874 . . . . 10.0 111.907 177.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.66 -10.96 60.41 Favored 'General case' 0 CA--C 1.55 0.947 0 N-CA-C 114.439 1.274 . . . . 10.0 114.439 177.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -121.05 -19.94 7.0 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 114.491 1.293 . . . . 10.0 114.491 -178.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -136.41 -14.81 1.7 Allowed 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 114.671 1.359 . . . . 10.0 114.671 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.75 -8.08 30.47 Favored Glycine 0 CA--C 1.536 1.405 0 C-N-CA 124.771 1.177 . . . . 10.0 115.831 178.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -156.9 169.78 23.99 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.156 1.383 . . . . 10.0 112.144 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.3 mt -132.85 136.46 55.62 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 C-N-CA 127.354 2.262 . . . . 10.0 108.404 -178.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -119.49 106.94 12.72 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 126.216 1.806 . . . . 10.0 108.449 178.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 26.3 ptm -139.93 157.56 45.49 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 114.585 1.328 . . . . 10.0 114.585 -176.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -94.42 141.87 28.09 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.929 1.692 . . . . 10.0 112.864 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 48.7 t -58.48 126.75 28.9 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.889 1.676 . . . . 10.0 110.823 176.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -63.15 -12.66 29.22 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 114.334 1.235 . . . . 10.0 114.334 -179.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -102.13 -32.29 10.19 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 114.961 1.467 . . . . 10.0 114.961 -177.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 26.5 p -138.81 -2.13 1.75 Allowed 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 116.798 2.147 . . . . 10.0 116.798 -176.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 78.78 -1.91 71.08 Favored Glycine 0 CA--C 1.539 1.556 0 N-CA-C 116.462 1.345 . . . . 10.0 116.462 177.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 -65.71 133.93 52.11 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 119.24 1.52 . . . . 10.0 110.97 178.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -82.44 151.16 26.68 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 113.67 0.989 . . . . 10.0 113.67 -177.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -149.7 156.52 42.01 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 126.99 2.116 . . . . 10.0 109.28 178.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 80.4 mt -112.67 141.85 45.97 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.58 0.752 . . . . 10.0 110.212 178.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -135.41 133.62 38.84 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 125.024 1.33 . . . . 10.0 110.44 -179.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 24.7 p30 -121.91 175.6 6.22 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.779 1.232 . . . . 10.0 111.416 177.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.58 -40.93 72.63 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 113.861 1.06 . . . . 10.0 113.861 -178.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 33.8 mmt -70.6 -39.52 73.77 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.436 0.694 . . . . 10.0 112.239 178.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -66.59 -43.31 85.25 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 121.466 -0.772 . . . . 10.0 110.949 177.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 66.1 mt -63.33 -35.73 73.35 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 C-N-CA 124.82 1.248 . . . . 10.0 110.116 175.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.48 -36.42 84.15 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 121.59 -0.694 . . . . 10.0 111.672 176.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -70.47 -41.84 72.22 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 121.371 -0.831 . . . . 10.0 110.477 175.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 64.6 mt . . . . . 0 N--CA 1.476 0.855 0 C-N-CA 124.197 0.999 . . . . 10.0 110.294 176.201 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.1 m . . . . . 0 N--CA 1.47 0.537 0 N-CA-C 108.925 -0.768 . . . . 10.0 108.925 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.6 mtp-105 -54.66 -32.92 59.95 Favored 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 112.822 0.675 . . . . 10.0 112.822 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -56.67 -38.4 72.16 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.86 1.664 . . . . 10.0 113.232 178.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.8 mmt85 -67.13 -45.53 76.86 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.768 0.827 . . . . 10.0 111.868 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 14.3 t -68.94 -39.45 79.57 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.174 0.989 . . . . 10.0 111.461 175.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.64 -41.42 97.48 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.587 1.155 . . . . 10.0 112.242 178.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -60.47 -35.48 75.98 Favored 'General case' 0 CA--C 1.541 0.635 0 CA-C-N 119.002 0.819 . . . . 10.0 112.561 178.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.71 -33.77 76.37 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 123.684 0.794 . . . . 10.0 112.201 175.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.0 tp -76.33 -43.22 42.05 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.629 1.572 . . . . 10.0 110.824 176.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.6 ttmt -51.2 -39.91 57.53 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 127.612 2.365 . . . . 10.0 114.184 178.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 42.7 p -73.83 -14.75 61.14 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 114.416 1.265 . . . . 10.0 114.416 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 85.0 mt -68.68 149.3 97.99 Favored Pre-proline 0 CA--C 1.546 0.817 0 CA-C-N 119.546 1.066 . . . . 10.0 110.786 177.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -53.19 135.91 60.77 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 123.233 2.622 . . . . 10.0 112.963 179.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -56.27 -42.27 77.18 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.45 0.7 . . . . 10.0 112.204 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -65.54 -36.35 83.56 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.113 0.965 . . . . 10.0 112.564 177.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -69.55 -44.73 70.31 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.347 -0.845 . . . . 10.0 110.805 177.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 65.3 t -61.05 -47.61 92.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 123.888 0.875 . . . . 10.0 109.841 175.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -60.17 -38.57 83.59 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.941 0.896 . . . . 10.0 112.354 176.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.6 t -59.77 -43.16 94.47 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.665 0.786 . . . . 10.0 111.933 177.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 71.9 mt -66.96 -46.94 83.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 O-C-N 121.507 -0.746 . . . . 10.0 109.965 176.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 97.3 mt -60.05 -34.28 73.21 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.387 -0.821 . . . . 10.0 112.56 178.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.9 -11.48 56.27 Favored 'General case' 0 CA--C 1.549 0.934 0 N-CA-C 114.191 1.182 . . . . 10.0 114.191 177.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -121.75 -20.13 6.55 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 114.182 1.179 . . . . 10.0 114.182 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -131.13 -14.37 3.42 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 115.361 1.615 . . . . 10.0 115.361 -178.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 71.08 -10.14 3.49 Favored Glycine 0 CA--C 1.541 1.693 0 C-N-CA 125.107 1.337 . . . . 10.0 116.085 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -156.78 166.08 34.4 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 126.761 2.024 . . . . 10.0 111.051 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 58.5 mt -129.6 136.26 59.6 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 C-N-CA 125.933 1.693 . . . . 10.0 110.218 -176.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -100.45 94.42 6.14 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.153 1.781 . . . . 10.0 108.169 176.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 39.5 tpp -101.27 153.19 19.85 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.154 1.381 . . . . 10.0 111.841 -176.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 67.1 m-70 -116.2 139.04 50.76 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.05 0.94 . . . . 10.0 112.115 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 40.5 t -51.67 114.86 1.39 Allowed 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 127.221 2.208 . . . . 10.0 110.254 177.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -63.64 -13.31 41.22 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 113.143 0.794 . . . . 10.0 113.143 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -99.49 -37.38 9.21 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 126.292 1.837 . . . . 10.0 114.009 -178.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 9.6 m -129.46 -11.88 4.49 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 116.766 2.136 . . . . 10.0 116.766 -173.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 82.89 -6.22 71.66 Favored Glycine 0 CA--C 1.539 1.563 0 C-N-CA 124.913 1.244 . . . . 10.0 115.983 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -62.63 143.97 56.74 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 119.447 1.623 . . . . 10.0 111.91 178.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 9.1 p-80 -82.78 151.52 26.08 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 113.899 1.074 . . . . 10.0 113.899 -177.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -149.86 143.84 25.57 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 127.164 2.185 . . . . 10.0 108.081 178.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 80.8 mt -106.6 140.44 39.47 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 122.023 -0.423 . . . . 10.0 111.395 -179.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -136.15 121.99 19.91 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.657 1.583 . . . . 10.0 110.629 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 22.1 p30 -97.86 170.42 8.97 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.595 0.758 . . . . 10.0 111.592 177.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.07 -40.58 70.51 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 113.797 1.036 . . . . 10.0 113.797 -177.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 91.9 mmm -70.62 -37.89 73.88 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.251 0.62 . . . . 10.0 112.49 178.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -71.12 -42.23 69.49 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 121.356 -0.84 . . . . 10.0 111.166 178.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 78.0 mt -60.39 -37.64 75.05 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 C-N-CA 124.879 1.271 . . . . 10.0 110.4 175.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.24 -40.07 92.66 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 122.556 0.343 . . . . 10.0 111.688 178.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -72.66 -43.22 63.45 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 121.613 -0.679 . . . . 10.0 111.228 176.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 54.3 mt . . . . . 0 N--CA 1.476 0.865 0 C-N-CA 124.362 1.065 . . . . 10.0 111.879 178.995 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.3 t . . . . . 0 N--CA 1.467 0.4 0 CA-C-O 121.474 0.654 . . . . 10.0 112.544 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 73.9 ttt-85 -54.91 -30.67 58.96 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 126.306 1.842 . . . . 10.0 111.594 174.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -57.11 -39.11 74.45 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.415 1.486 . . . . 10.0 112.874 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 51.8 mtp85 -69.64 -39.95 76.79 Favored 'General case' 0 N--CA 1.477 0.92 0 O-C-N 121.317 -0.864 . . . . 10.0 111.365 176.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 11.6 t -66.29 -39.48 89.41 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.549 0.74 . . . . 10.0 111.43 176.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.55 -47.42 85.6 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.074 1.35 . . . . 10.0 111.014 177.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -61.45 -38.32 86.77 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.767 0.827 . . . . 10.0 111.894 177.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.73 -33.53 75.84 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.818 0.847 . . . . 10.0 113.147 176.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.4 tp -76.14 -45.33 34.14 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.297 1.039 . . . . 10.0 111.088 177.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.2 pttt -57.26 -28.89 63.37 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 115.102 1.519 . . . . 10.0 115.102 -176.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 41.1 p -76.96 -11.44 59.81 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 114.328 1.233 . . . . 10.0 114.328 -179.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 77.0 mt -69.06 154.91 94.55 Favored Pre-proline 0 CA--C 1.551 0.997 0 CA-C-N 119.243 0.929 . . . . 10.0 112.43 178.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -50.2 132.83 34.72 Favored 'Trans proline' 0 C--N 1.353 0.775 0 C-N-CA 124.283 3.322 . . . . 10.0 114.257 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 -57.28 -39.84 76.52 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.096 0.958 . . . . 10.0 113.486 -178.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -64.93 -41.76 95.25 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.133 0.573 . . . . 10.0 112.315 179.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -67.62 -43.68 79.82 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 121.372 -0.83 . . . . 10.0 111.287 178.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 55.2 t -60.41 -48.78 86.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 123.774 0.83 . . . . 10.0 110.139 176.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -61.73 -42.5 99.04 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 112.826 0.676 . . . . 10.0 112.826 178.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.6 m -59.7 -42.96 94.19 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.096 0.862 . . . . 10.0 113.068 179.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 64.6 mt -66.79 -47.11 83.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 CA-C-N 119.04 0.836 . . . . 10.0 110.144 178.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 91.0 mt -60.41 -37.33 80.51 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.417 -0.802 . . . . 10.0 112.328 178.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.39 -10.83 55.05 Favored 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 114.745 1.387 . . . . 10.0 114.745 178.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -124.46 -22.78 4.58 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 114.443 1.275 . . . . 10.0 114.443 -179.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -127.45 -15.46 5.09 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 114.799 1.407 . . . . 10.0 114.799 -179.075 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 71.01 0.8 36.66 Favored Glycine 0 CA--C 1.539 1.558 0 CA-C-N 119.401 1.0 . . . . 10.0 115.445 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -152.48 158.96 43.33 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 125.364 1.466 . . . . 10.0 112.963 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 70.7 mt -134.44 136.48 52.8 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 C-N-CA 126.713 2.005 . . . . 10.0 107.909 175.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -110.32 134.77 51.95 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.982 1.313 . . . . 10.0 108.524 176.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 45.8 tpp -131.21 147.87 52.64 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.159 0.984 . . . . 10.0 111.299 -177.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 56.7 t-80 -94.93 137.37 34.08 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.907 1.283 . . . . 10.0 113.009 -177.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 49.0 t -81.83 84.81 6.77 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 126.995 2.118 . . . . 10.0 108.794 175.165 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -60.29 -20.38 58.9 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 121.481 -0.762 . . . . 10.0 112.667 179.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -68.09 -36.21 79.41 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.875 1.67 . . . . 10.0 113.764 177.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 11.8 m -130.12 -29.68 2.04 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 116.517 2.043 . . . . 10.0 116.517 -173.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 100.95 47.06 1.65 Allowed Glycine 0 CA--C 1.536 1.347 0 CA-C-N 119.088 0.858 . . . . 10.0 112.951 -178.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -132.73 -177.85 4.68 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 126.472 1.909 . . . . 10.0 110.607 -178.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -142.17 160.43 40.25 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 120.517 -1.364 . . . . 10.0 111.975 177.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -148.65 148.22 29.83 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 125.476 1.51 . . . . 10.0 108.737 -178.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -114.21 144.28 43.46 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.158 0.983 . . . . 10.0 112.625 -179.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -135.91 152.88 51.46 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 126.699 2.0 . . . . 10.0 111.266 -174.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 26.9 m120 -121.53 171.99 8.41 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.334 1.454 . . . . 10.0 110.696 178.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.45 -43.55 75.55 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.597 0.962 . . . . 10.0 113.597 -178.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.07 -37.14 75.4 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.324 0.649 . . . . 10.0 112.643 177.265 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -69.74 -42.95 73.27 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 119.18 0.9 . . . . 10.0 110.792 178.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 87.9 mt -61.17 -38.08 78.9 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 C-N-CA 124.738 1.215 . . . . 10.0 110.044 175.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.19 -40.76 98.42 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.828 -0.545 . . . . 10.0 111.609 176.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -71.05 -39.52 72.21 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 121.614 -0.679 . . . . 10.0 111.303 176.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 44.5 mt . . . . . 0 CA--C 1.544 0.747 0 O-C-N 121.203 -0.936 . . . . 10.0 109.937 174.01 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.7 t . . . . . 0 CA--C 1.542 0.669 0 N-CA-C 115.52 1.674 . . . . 10.0 115.52 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 54.5 ttt85 -55.57 -34.48 64.8 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.575 1.55 . . . . 10.0 111.039 174.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -58.61 -48.6 80.45 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.753 0.821 . . . . 10.0 112.891 -179.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 -76.28 -32.6 58.88 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 121.197 -0.939 . . . . 10.0 112.135 175.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 6.4 t -61.22 -38.47 86.71 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 118.944 0.793 . . . . 10.0 110.701 174.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.56 -39.13 84.94 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.466 1.106 . . . . 10.0 110.563 173.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -61.36 -35.1 76.52 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.323 1.049 . . . . 10.0 111.753 175.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.51 -33.46 75.73 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 124.35 1.06 . . . . 10.0 111.874 174.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.3 tp -76.07 -43.1 45.19 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.822 1.649 . . . . 10.0 110.645 176.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 27.3 ttmt -49.11 -37.09 20.54 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 127.993 2.517 . . . . 10.0 114.309 178.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 52.1 p -77.68 -13.1 60.0 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 114.495 1.295 . . . . 10.0 114.495 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 94.5 mt -71.03 151.5 94.93 Favored Pre-proline 0 CA--C 1.548 0.901 0 CA-C-N 119.592 1.087 . . . . 10.0 111.446 177.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -53.67 132.18 47.83 Favored 'Trans proline' 0 C--N 1.351 0.706 0 C-N-CA 123.323 2.682 . . . . 10.0 112.993 178.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -55.27 -43.64 74.91 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.975 0.91 . . . . 10.0 112.746 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -63.59 -37.99 89.41 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.931 0.892 . . . . 10.0 112.45 178.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -69.36 -45.1 70.18 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 121.256 -0.902 . . . . 10.0 110.982 177.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 62.5 t -59.39 -48.77 85.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 123.858 0.863 . . . . 10.0 110.076 176.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -62.15 -39.75 93.68 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.804 0.842 . . . . 10.0 112.441 177.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.4 t -59.88 -45.67 91.75 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.017 0.927 . . . . 10.0 112.077 178.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 75.1 mt -63.46 -44.96 99.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 O-C-N 121.672 -0.643 . . . . 10.0 110.557 177.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 92.5 mt -60.13 -38.7 83.86 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.363 -0.836 . . . . 10.0 111.813 176.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.57 -10.21 33.33 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 114.799 1.407 . . . . 10.0 114.799 178.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -124.77 -12.79 7.07 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 115.061 1.504 . . . . 10.0 115.061 179.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -143.59 -13.83 0.67 Allowed 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 115.676 1.732 . . . . 10.0 115.676 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 71.89 -3.42 20.3 Favored Glycine 0 CA--C 1.539 1.589 0 N-CA-C 116.404 1.322 . . . . 10.0 116.404 178.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -151.42 163.09 39.75 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 119.172 1.486 . . . . 10.0 113.25 179.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.6 mt -138.12 136.24 44.81 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 C-N-CA 127.279 2.232 . . . . 10.0 108.821 -178.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -104.69 132.18 51.24 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.195 0.998 . . . . 10.0 108.858 174.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 90.8 mmm -131.06 153.79 48.93 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 125.848 1.659 . . . . 10.0 110.637 -176.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 19.9 p-80 -128.63 142.01 51.17 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 123.686 0.795 . . . . 10.0 112.641 179.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 87.7 m -64.22 109.03 1.73 Allowed 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 125.845 1.658 . . . . 10.0 110.9 177.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -62.05 -23.1 66.27 Favored 'General case' 0 CA--C 1.553 1.063 0 CA-C-O 122.171 0.986 . . . . 10.0 110.663 172.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -66.56 -43.46 84.99 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 129.776 3.231 . . . . 10.0 114.95 179.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 31.8 p -141.5 -14.74 0.85 Allowed 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 117.759 2.503 . . . . 10.0 117.759 -173.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 96.31 -3.05 63.63 Favored Glycine 0 CA--C 1.539 1.541 0 C-N-CA 124.728 1.156 . . . . 10.0 115.797 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -66.42 165.61 13.97 Favored 'General case' 0 CA--C 1.553 1.086 0 CA-C-N 119.372 1.586 . . . . 10.0 111.379 177.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -124.71 153.73 41.91 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.441 1.497 . . . . 10.0 112.373 -179.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -151.19 148.05 27.76 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 126.313 1.845 . . . . 10.0 108.557 177.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.4 pp -114.14 142.61 46.01 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 123.56 0.744 . . . . 10.0 110.598 178.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -129.38 138.44 51.52 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 125.46 1.504 . . . . 10.0 109.909 -177.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.6 m-80 -107.03 174.82 5.72 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.587 1.555 . . . . 10.0 111.248 -176.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.18 -37.49 67.12 Favored 'General case' 0 CA--C 1.547 0.845 0 O-C-N 120.981 -1.074 . . . . 10.0 111.961 177.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 24.6 ptp -64.9 -37.26 87.05 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.084 0.953 . . . . 10.0 112.634 174.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -65.99 -47.79 73.35 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 121.269 -0.894 . . . . 10.0 110.487 176.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.8 mp -59.96 -40.22 82.38 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 C-N-CA 123.52 0.728 . . . . 10.0 110.387 176.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.96 -37.73 80.44 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.567 0.747 . . . . 10.0 111.997 176.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -73.56 -41.05 63.44 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 121.052 -1.03 . . . . 10.0 111.36 174.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 63.7 mt . . . . . 0 N--CA 1.472 0.665 0 C-N-CA 124.04 0.936 . . . . 10.0 111.408 179.497 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.9 m . . . . . 0 N--CA 1.471 0.61 0 N-CA-C 114.14 1.163 . . . . 10.0 114.14 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 39.7 ttt180 -55.19 -39.84 70.06 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 125.951 1.701 . . . . 10.0 112.146 175.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -55.05 -45.51 75.27 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.809 1.644 . . . . 10.0 112.469 -179.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -60.24 -43.34 96.18 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.056 0.942 . . . . 10.0 112.374 178.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 12.2 t -72.71 -41.46 65.22 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-O 121.084 0.469 . . . . 10.0 111.935 176.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.35 -39.97 92.55 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.966 0.906 . . . . 10.0 111.966 178.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -57.81 -40.34 79.74 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.093 0.957 . . . . 10.0 112.335 177.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.5 -33.92 74.62 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 123.777 0.831 . . . . 10.0 112.471 176.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.4 tp -76.67 -45.34 30.11 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 125.054 1.342 . . . . 10.0 109.978 174.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.98 -32.52 54.25 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 126.859 2.064 . . . . 10.0 115.627 -178.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 37.3 p -68.81 -19.72 64.29 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 113.848 1.055 . . . . 10.0 113.848 178.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 87.9 mt -72.02 149.48 92.28 Favored Pre-proline 0 CA--C 1.549 0.93 0 C-N-CA 123.924 0.89 . . . . 10.0 110.743 176.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -54.16 136.53 68.14 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 122.913 2.409 . . . . 10.0 112.296 178.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -56.82 -41.38 77.72 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 112.805 0.669 . . . . 10.0 112.805 -179.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -61.57 -38.72 88.55 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.754 0.822 . . . . 10.0 112.324 177.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -67.76 -45.64 74.33 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 121.554 -0.716 . . . . 10.0 110.585 177.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 72.7 t -60.7 -47.87 91.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 123.983 0.913 . . . . 10.0 110.728 177.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -64.03 -34.8 78.83 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.568 0.747 . . . . 10.0 112.93 179.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 31.3 p -60.47 -35.7 76.5 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 112.964 0.728 . . . . 10.0 112.964 178.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 62.7 mt -68.71 -44.09 82.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 C-N-CA 123.5 0.72 . . . . 10.0 109.676 176.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 87.0 mt -61.83 -33.78 74.76 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 121.165 -0.96 . . . . 10.0 111.677 176.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.92 -5.71 49.59 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 124.967 1.307 . . . . 10.0 114.333 176.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -126.37 -29.82 2.93 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 114.38 1.252 . . . . 10.0 114.38 -176.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -128.19 -19.06 3.98 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.954 1.701 . . . . 10.0 113.899 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 79.26 -5.51 59.51 Favored Glycine 0 CA--C 1.537 1.415 0 N-CA-C 115.887 1.115 . . . . 10.0 115.887 178.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -154.14 161.13 42.08 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.831 1.252 . . . . 10.0 112.375 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 79.2 mt -129.79 136.85 58.11 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 C-N-CA 127.336 2.254 . . . . 10.0 109.057 -179.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -113.48 132.36 55.7 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.643 1.577 . . . . 10.0 109.269 177.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 22.7 mmt -136.01 149.01 48.66 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.048 1.339 . . . . 10.0 111.218 -179.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -94.96 137.64 33.75 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.107 0.963 . . . . 10.0 110.977 177.105 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 51.1 t -77.07 92.06 3.72 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 126.017 1.727 . . . . 10.0 109.288 177.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -60.76 -20.85 62.23 Favored 'General case' 0 CA--C 1.549 0.908 0 O-C-N 121.139 -0.976 . . . . 10.0 112.813 179.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -74.77 -41.23 60.43 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.771 2.028 . . . . 10.0 114.294 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.8 m -123.43 -19.07 6.01 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 115.916 1.821 . . . . 10.0 115.916 -174.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 97.26 -0.17 60.01 Favored Glycine 0 CA--C 1.541 1.707 0 C-N-CA 125.592 1.568 . . . . 10.0 114.128 -177.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.406 ' CG ' ' H ' ' A' ' 46' ' ' HIS . 63.5 t30 -79.2 -164.96 0.69 Allowed 'General case' 0 CA--C 1.558 1.254 0 C-N-CA 126.825 2.05 . . . . 10.0 112.86 179.704 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.406 ' H ' ' CG ' ' A' ' 45' ' ' ASN . 2.0 m-70 -133.82 163.71 28.87 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 127.419 2.288 . . . . 10.0 111.065 177.543 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -147.06 142.89 27.91 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 126.849 2.06 . . . . 10.0 107.795 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 91.1 mt -114.63 141.76 47.36 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.169 0.988 . . . . 10.0 110.05 177.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -135.4 141.76 45.54 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.257 1.023 . . . . 10.0 112.002 -178.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -126.6 172.83 9.93 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 126.488 1.915 . . . . 10.0 109.796 176.247 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.21 -40.1 70.41 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.622 1.169 . . . . 10.0 113.222 179.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 5.0 ppp? -65.84 -37.35 85.97 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 118.978 0.808 . . . . 10.0 112.651 177.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -72.21 -46.88 54.38 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.334 1.054 . . . . 10.0 110.769 177.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 65.7 mt -60.4 -33.14 53.02 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 C-N-CA 126.322 1.849 . . . . 10.0 111.696 178.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.83 -34.48 67.79 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 118.634 0.652 . . . . 10.0 111.894 174.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 65.5 mt-10 -73.83 -44.41 55.76 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 121.391 -0.818 . . . . 10.0 110.526 174.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 96.4 mt . . . . . 0 N--CA 1.478 0.966 0 C-N-CA 125.064 1.345 . . . . 10.0 111.438 178.251 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.0 m . . . . . 0 N--CA 1.48 1.031 0 N-CA-C 113.834 1.05 . . . . 10.0 113.834 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 58.7 ttt85 -54.83 -33.28 61.46 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 126.341 1.856 . . . . 10.0 113.072 178.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -56.26 -38.23 70.86 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.863 1.265 . . . . 10.0 112.526 -179.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 64.0 mtp85 -68.13 -41.27 81.92 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 121.684 -0.635 . . . . 10.0 111.421 176.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 8.2 t -66.53 -39.94 88.86 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.439 0.696 . . . . 10.0 111.202 176.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.16 -44.29 95.92 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.794 1.238 . . . . 10.0 110.913 176.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -59.55 -41.57 90.4 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.878 0.871 . . . . 10.0 111.621 176.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.68 -34.23 77.73 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 112.821 0.675 . . . . 10.0 112.821 176.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 19.4 tp -77.94 -46.24 21.73 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.748 1.219 . . . . 10.0 112.099 177.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.9 pttp -65.67 -24.54 67.03 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 114.876 1.435 . . . . 10.0 114.876 -177.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.5 p -78.32 -11.91 59.97 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.004 0.922 . . . . 10.0 113.299 178.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 91.9 mt -73.58 158.95 85.68 Favored Pre-proline 0 CA--C 1.55 0.946 0 C-N-CA 124.533 1.133 . . . . 10.0 110.286 173.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -52.09 123.92 13.61 Favored 'Trans proline' 0 CA--C 1.538 0.702 0 C-N-CA 123.14 2.56 . . . . 10.0 111.709 176.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -55.45 -40.56 71.72 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 113.194 0.813 . . . . 10.0 113.194 -177.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -62.35 -35.91 80.58 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.936 0.894 . . . . 10.0 112.77 177.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -68.41 -41.54 80.28 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 121.211 -0.931 . . . . 10.0 110.628 177.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 96.1 t -64.26 -47.97 87.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 124.19 0.996 . . . . 10.0 109.722 175.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -61.34 -35.53 77.66 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.231 1.012 . . . . 10.0 113.035 178.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 74.1 m -59.88 -39.7 86.17 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.609 0.764 . . . . 10.0 112.31 178.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 53.9 mt -68.75 -44.81 81.92 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 CA-C-N 118.521 0.6 . . . . 10.0 109.783 176.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 98.4 mt -59.53 -37.69 79.04 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.472 -0.767 . . . . 10.0 111.947 177.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.16 -8.71 48.09 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 124.897 1.279 . . . . 10.0 114.421 177.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -125.28 -20.67 4.77 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 114.68 1.363 . . . . 10.0 114.68 -179.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -138.68 -13.87 1.26 Allowed 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 115.174 1.546 . . . . 10.0 115.174 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 75.65 -7.54 25.67 Favored Glycine 0 CA--C 1.539 1.544 0 N-CA-C 116.411 1.324 . . . . 10.0 116.411 178.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -151.44 160.74 43.58 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 119.109 1.454 . . . . 10.0 113.811 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 66.6 mt -138.65 125.73 26.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 C-N-CA 127.128 2.171 . . . . 10.0 109.681 -177.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -92.94 115.92 28.57 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 107.671 -1.233 . . . . 10.0 107.671 173.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 16.9 tpt -107.42 144.6 34.1 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.588 1.155 . . . . 10.0 111.673 -176.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 31.7 t-80 -94.82 132.67 39.37 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.732 1.213 . . . . 10.0 111.896 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 8.9 t -80.9 75.09 7.86 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 126.087 1.755 . . . . 10.0 109.098 176.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -52.57 -21.12 3.52 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 114.623 1.342 . . . . 10.0 114.623 -177.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -66.14 -36.25 82.64 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.943 1.697 . . . . 10.0 114.513 177.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 26.5 p -137.84 -20.93 1.13 Allowed 'General case' 0 CA--C 1.55 0.947 0 N-CA-C 116.847 2.165 . . . . 10.0 116.847 -179.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.82 -4.03 16.94 Favored Glycine 0 CA--C 1.536 1.355 0 CA-C-N 120.176 1.353 . . . . 10.0 116.285 175.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -75.03 -174.09 2.15 Favored 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 124.517 1.127 . . . . 10.0 111.751 178.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 3.8 p80 -143.64 160.91 39.84 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 120.355 -1.466 . . . . 10.0 111.105 176.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -148.99 136.24 20.1 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 125.356 1.463 . . . . 10.0 108.531 -179.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 62.2 tp -95.8 140.94 29.86 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.72 0.808 . . . . 10.0 109.837 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -132.95 141.97 48.62 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 125.864 1.666 . . . . 10.0 109.647 -179.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 25.8 p30 -121.94 174.17 7.06 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.31 1.044 . . . . 10.0 111.513 177.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.52 -38.5 69.32 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 113.691 0.997 . . . . 10.0 113.691 -179.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 21.1 mmt -70.36 -39.51 74.59 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.322 0.649 . . . . 10.0 112.112 179.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -71.88 -42.26 67.03 Favored 'General case' 0 N--CA 1.469 0.502 0 O-C-N 121.517 -0.739 . . . . 10.0 111.589 178.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 71.4 mt -64.48 -33.81 65.4 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 C-N-CA 124.508 1.123 . . . . 10.0 110.517 176.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.09 -35.03 77.44 Favored 'General case' 0 CA--C 1.544 0.748 0 O-C-N 121.658 -0.651 . . . . 10.0 111.933 175.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -73.57 -40.78 63.66 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 121.5 -0.75 . . . . 10.0 110.693 174.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 74.8 mt . . . . . 0 N--CA 1.477 0.911 0 O-C-N 120.764 -1.21 . . . . 10.0 109.932 176.271 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 N--CA 1.473 0.69 0 N-CA-C 116.812 2.153 . . . . 10.0 116.812 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.53 -32.55 72.6 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 127.101 2.161 . . . . 10.0 111.229 173.202 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -59.92 -38.32 82.0 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.201 1.0 . . . . 10.0 112.349 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 85.6 mtt-85 -64.23 -45.56 87.66 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.383 0.673 . . . . 10.0 111.478 178.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 21.4 t -66.48 -40.44 89.31 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 122.833 0.453 . . . . 10.0 112.09 175.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.15 -40.92 95.65 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.476 0.71 . . . . 10.0 111.126 178.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -61.0 -38.83 87.45 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.453 -0.779 . . . . 10.0 112.041 175.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.24 -34.09 77.54 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 123.519 0.728 . . . . 10.0 112.187 176.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.2 tp -72.46 -40.21 67.18 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.259 1.424 . . . . 10.0 109.719 174.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.4 ttpp -55.99 -17.22 6.21 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 126.917 2.087 . . . . 10.0 116.214 178.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 76.9 p -110.64 -2.82 16.18 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.748 1.219 . . . . 10.0 114.144 -177.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 90.1 mt -64.07 147.83 96.07 Favored Pre-proline 0 CA--C 1.549 0.926 0 CA-C-O 118.216 -0.897 . . . . 10.0 110.679 175.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -51.24 127.57 22.48 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 123.256 2.638 . . . . 10.0 112.284 179.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -59.74 -37.41 78.89 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 113.327 0.862 . . . . 10.0 113.327 -177.102 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -66.64 -38.77 87.6 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.605 0.762 . . . . 10.0 111.763 176.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -66.58 -45.85 77.9 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.325 -0.859 . . . . 10.0 110.388 176.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 47.0 t -59.23 -45.34 93.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 123.898 0.879 . . . . 10.0 110.322 175.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -60.01 -42.55 94.55 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.419 0.688 . . . . 10.0 112.202 177.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 42.5 m -61.04 -43.26 99.15 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 118.835 0.743 . . . . 10.0 111.911 176.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 79.5 mt -63.48 -46.9 93.91 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 CA-C-N 118.743 0.701 . . . . 10.0 110.075 176.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 63.4 mt -61.17 -33.36 73.31 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 121.176 -0.953 . . . . 10.0 112.746 177.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -74.68 -10.14 59.24 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 114.634 1.346 . . . . 10.0 114.634 177.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -126.51 -25.09 3.49 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 114.821 1.415 . . . . 10.0 114.821 -178.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -129.41 -23.92 2.87 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.286 1.435 . . . . 10.0 113.793 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 68.47 4.98 41.1 Favored Glycine 0 CA--C 1.539 1.564 0 N-CA-C 116.038 1.175 . . . . 10.0 116.038 178.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -151.09 161.6 42.43 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 126.263 1.825 . . . . 10.0 110.211 -179.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 97.2 mt -129.07 136.5 59.49 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 C-N-CA 125.532 1.533 . . . . 10.0 110.599 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -102.63 127.77 49.59 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.885 1.674 . . . . 10.0 106.949 171.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 9.9 tpt -129.16 143.43 50.85 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 124.161 0.984 . . . . 10.0 110.967 -176.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -94.35 139.88 30.52 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.174 0.99 . . . . 10.0 112.156 -177.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 13.3 t -85.04 84.06 7.84 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 126.069 1.748 . . . . 10.0 110.112 177.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -59.74 -13.83 11.81 Favored 'General case' 0 CA--C 1.551 0.992 0 O-C-N 120.947 -1.096 . . . . 10.0 113.937 179.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -70.91 -37.82 72.96 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.927 1.691 . . . . 10.0 113.908 177.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 22.3 p -144.89 -8.79 0.62 Allowed 'General case' 0 CA--C 1.553 1.074 0 N-CA-C 117.124 2.268 . . . . 10.0 117.124 -178.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 108.62 -3.0 32.34 Favored Glycine 0 CA--C 1.537 1.442 0 N-CA-C 116.362 1.305 . . . . 10.0 116.362 175.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -77.09 -168.32 1.06 Allowed 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 125.132 1.373 . . . . 10.0 112.965 178.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -141.07 164.11 31.17 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 126.486 1.914 . . . . 10.0 112.354 -177.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -145.21 146.57 31.78 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 125.835 1.654 . . . . 10.0 108.279 178.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 92.5 mt -114.41 140.15 48.92 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.071 0.548 . . . . 10.0 109.567 176.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -135.8 127.46 28.99 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.633 1.173 . . . . 10.0 110.326 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -88.55 170.09 11.17 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.642 0.777 . . . . 10.0 110.786 178.336 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.74 -42.73 68.48 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.188 -0.945 . . . . 10.0 113.395 -178.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.7 -36.95 81.59 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 112.679 0.622 . . . . 10.0 112.679 176.513 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -68.09 -45.5 73.58 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.116 0.966 . . . . 10.0 110.313 178.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 57.0 mt -59.3 -41.14 83.22 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 C-N-CA 125.353 1.461 . . . . 10.0 109.931 175.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.28 -45.95 90.99 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 112.889 0.7 . . . . 10.0 112.889 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -70.05 -36.46 75.02 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 119.676 1.125 . . . . 10.0 111.598 177.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 54.3 mt . . . . . 0 N--CA 1.469 0.488 0 O-C-N 121.485 -0.76 . . . . 10.0 110.519 176.192 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 24.9 m . . . . . 0 N--CA 1.472 0.659 0 N-CA-C 115.481 1.66 . . . . 10.0 115.481 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.3 ttp180 -54.93 -30.21 58.07 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.502 1.521 . . . . 10.0 114.165 -177.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -55.03 -39.83 69.56 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.552 1.141 . . . . 10.0 113.295 -178.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.3 mmm180 -70.35 -37.11 74.58 Favored 'General case' 0 N--CA 1.478 0.972 0 O-C-N 121.117 -0.989 . . . . 10.0 112.147 175.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 7.1 t -67.43 -38.06 83.98 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 123.961 0.904 . . . . 10.0 111.329 176.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.06 -47.32 85.21 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.355 1.462 . . . . 10.0 111.088 176.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -60.59 -35.8 77.0 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.075 0.95 . . . . 10.0 111.87 177.031 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.71 -33.82 69.07 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 113.056 0.762 . . . . 10.0 113.056 176.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.4 tp -76.43 -46.05 28.8 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.525 1.13 . . . . 10.0 111.83 178.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.64 -22.28 66.93 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 115.724 1.749 . . . . 10.0 115.724 -176.443 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.6 p -77.6 -12.25 59.95 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 113.594 0.961 . . . . 10.0 113.594 177.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 91.0 mt -65.95 156.38 84.06 Favored Pre-proline 0 CA--C 1.552 1.035 0 CA-C-N 119.235 0.925 . . . . 10.0 111.201 176.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -49.44 132.4 29.55 Favored 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 123.755 2.97 . . . . 10.0 114.083 -179.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -54.99 -44.83 74.83 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.378 1.071 . . . . 10.0 113.211 -178.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -66.41 -39.45 88.98 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.617 0.767 . . . . 10.0 112.169 178.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -64.36 -45.12 89.17 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 121.557 -0.714 . . . . 10.0 111.062 177.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 53.7 t -62.97 -47.79 91.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 123.854 0.862 . . . . 10.0 110.448 176.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -57.62 -40.56 79.45 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.025 0.93 . . . . 10.0 113.335 179.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 41.8 m -59.55 -41.5 90.25 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 118.879 0.763 . . . . 10.0 112.873 179.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.9 mm -67.85 -44.53 85.33 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 CA-C-N 119.147 0.885 . . . . 10.0 110.561 177.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 83.6 mt -63.33 -30.7 71.79 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 121.282 -0.886 . . . . 10.0 112.586 178.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.58 -9.29 58.45 Favored 'General case' 0 CA--C 1.55 0.965 0 N-CA-C 114.439 1.274 . . . . 10.0 114.439 176.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -127.58 -26.94 2.92 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 114.794 1.405 . . . . 10.0 114.794 -178.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -129.1 -23.2 3.05 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.368 1.467 . . . . 10.0 113.824 -179.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 75.13 2.06 65.27 Favored Glycine 0 CA--C 1.538 1.481 0 N-CA-C 116.031 1.173 . . . . 10.0 116.031 178.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -151.08 154.53 37.15 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 118.753 1.276 . . . . 10.0 113.928 -179.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 65.1 mt -138.09 136.21 44.89 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 C-N-CA 126.632 1.973 . . . . 10.0 109.054 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -105.82 137.67 43.3 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.022 1.329 . . . . 10.0 108.732 175.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 14.7 tpt -132.67 151.04 52.07 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.288 1.035 . . . . 10.0 111.3 -177.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 22.3 t60 -95.06 133.62 38.65 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.087 1.355 . . . . 10.0 113.605 -176.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 48.1 t -83.4 76.76 9.89 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 126.298 1.839 . . . . 10.0 108.445 172.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -62.22 -16.83 55.91 Favored 'General case' 0 CA--C 1.549 0.915 0 O-C-N 121.257 -0.902 . . . . 10.0 112.489 178.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -64.29 -39.83 94.73 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 127.184 2.194 . . . . 10.0 113.1 176.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 34.1 m -124.23 -35.95 2.73 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 115.138 1.532 . . . . 10.0 115.138 -175.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 110.22 46.69 0.86 Allowed Glycine 0 CA--C 1.535 1.289 0 C-N-CA 124.278 0.942 . . . . 10.0 112.467 -178.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -136.88 -172.0 3.07 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 126.053 1.741 . . . . 10.0 110.735 -176.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.4 p80 -144.98 162.58 36.55 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 120.674 -1.266 . . . . 10.0 110.754 176.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -147.82 142.81 26.97 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 124.948 1.299 . . . . 10.0 108.927 -178.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 57.9 tp -105.96 142.1 36.24 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.719 1.208 . . . . 10.0 110.417 -177.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -135.87 150.44 49.37 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.266 1.427 . . . . 10.0 111.214 -178.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -121.16 174.04 6.93 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.955 1.302 . . . . 10.0 109.882 177.012 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.41 -38.79 69.39 Favored 'General case' 0 CA--C 1.545 0.756 0 O-C-N 121.679 -0.638 . . . . 10.0 112.634 179.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -65.73 -40.32 92.04 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.66 1.184 . . . . 10.0 112.096 178.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -67.81 -47.91 67.75 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.662 0.785 . . . . 10.0 110.302 177.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 69.0 mt -59.75 -39.5 79.96 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 C-N-CA 125.277 1.431 . . . . 10.0 110.911 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.81 -40.06 87.15 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.281 0.633 . . . . 10.0 112.373 176.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -73.38 -41.92 62.8 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 121.442 -0.786 . . . . 10.0 111.099 176.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 57.0 mt . . . . . 0 N--CA 1.475 0.823 0 C-N-CA 124.291 1.036 . . . . 10.0 110.645 177.787 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 46.9 t . . . . . 0 N--CA 1.471 0.586 0 N-CA-C 113.63 0.974 . . . . 10.0 113.63 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 41.9 ttt-85 -55.5 -30.95 61.58 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.877 1.671 . . . . 10.0 111.476 172.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -57.54 -35.97 71.0 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.369 1.468 . . . . 10.0 112.741 177.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.5 mmt180 -67.87 -45.28 74.95 Favored 'General case' 0 N--CA 1.477 0.877 0 O-C-N 121.336 -0.852 . . . . 10.0 110.813 176.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 20.4 t -62.32 -39.59 93.54 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.189 0.996 . . . . 10.0 111.59 174.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.84 -42.73 99.4 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.469 1.108 . . . . 10.0 111.368 176.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -64.54 -36.16 83.32 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.484 -0.76 . . . . 10.0 111.319 175.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.69 -40.12 88.39 Favored 'General case' 0 CA--C 1.546 0.803 0 O-C-N 121.695 -0.628 . . . . 10.0 111.448 175.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.8 tp -61.3 -43.85 98.18 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.554 1.541 . . . . 10.0 110.128 175.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.0 tmtm? -52.52 -22.0 4.4 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.996 1.718 . . . . 10.0 115.375 177.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 46.6 p -66.19 -23.37 66.44 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 113.292 0.849 . . . . 10.0 113.292 177.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 81.0 mt -71.4 148.27 93.29 Favored Pre-proline 0 CA--C 1.551 0.983 0 C-N-CA 124.332 1.053 . . . . 10.0 111.574 178.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -55.31 140.58 81.9 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 123.454 2.769 . . . . 10.0 113.218 178.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -55.69 -44.92 77.81 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.616 0.766 . . . . 10.0 112.996 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -66.28 -36.2 82.35 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.627 0.771 . . . . 10.0 112.244 178.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -69.4 -46.19 67.46 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.611 -0.681 . . . . 10.0 110.704 177.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 50.4 t -58.78 -48.54 85.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 124.48 1.112 . . . . 10.0 110.213 176.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -62.14 -35.44 78.77 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.636 0.774 . . . . 10.0 112.529 178.101 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 73.4 m -61.77 -39.16 90.69 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.519 0.728 . . . . 10.0 112.875 178.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.1 mm -67.97 -42.39 85.44 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 CA-C-N 119.401 1.001 . . . . 10.0 110.411 177.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 96.9 mt -61.21 -37.92 84.74 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 121.411 -0.805 . . . . 10.0 111.473 176.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.88 -9.24 50.53 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 124.818 1.247 . . . . 10.0 114.252 176.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -121.78 -28.12 4.56 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.718 1.207 . . . . 10.0 114.129 -175.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -137.98 -12.65 1.46 Allowed 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 114.95 1.463 . . . . 10.0 114.95 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.55 -3.93 52.67 Favored Glycine 0 CA--C 1.537 1.465 0 N-CA-C 116.133 1.213 . . . . 10.0 116.133 178.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -150.71 160.43 43.85 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 118.973 1.387 . . . . 10.0 113.137 -179.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 58.2 mt -135.62 136.59 50.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 C-N-CA 126.23 1.812 . . . . 10.0 110.381 -176.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -99.98 127.5 46.18 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.058 1.343 . . . . 10.0 109.851 175.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 12.9 tpt -137.44 157.11 47.28 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.88 1.272 . . . . 10.0 111.458 178.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 21.2 p-80 -117.51 141.89 47.82 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.09 1.356 . . . . 10.0 111.672 178.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 51.9 t -58.46 128.09 35.44 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.019 1.328 . . . . 10.0 111.453 179.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -67.48 -15.07 63.47 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 123.636 0.774 . . . . 10.0 113.069 178.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -102.36 -38.89 7.42 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.781 1.633 . . . . 10.0 113.57 -177.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 19.6 m -115.56 -16.35 11.34 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 116.003 1.853 . . . . 10.0 116.003 -174.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 75.8 -4.9 42.44 Favored Glycine 0 CA--C 1.541 1.712 0 C-N-CA 124.13 0.871 . . . . 10.0 114.285 -175.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -64.25 133.31 52.53 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.298 1.439 . . . . 10.0 111.387 178.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 11.2 p-80 -84.44 150.07 25.55 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.761 1.023 . . . . 10.0 113.761 179.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -145.18 157.82 43.98 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 127.614 2.366 . . . . 10.0 107.939 177.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -114.47 142.26 46.62 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.093 0.957 . . . . 10.0 109.974 176.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -128.51 145.47 51.11 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 125.021 1.328 . . . . 10.0 110.744 -177.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 -113.75 171.49 7.55 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.416 1.486 . . . . 10.0 111.459 -175.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.27 -36.3 65.94 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 121.111 -0.993 . . . . 10.0 112.476 177.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 26.0 mmt -65.81 -37.57 86.62 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.149 0.979 . . . . 10.0 112.161 175.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -67.3 -48.15 68.47 Favored 'General case' 0 CA--C 1.534 0.362 0 O-C-N 121.456 -0.777 . . . . 10.0 110.654 177.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.8 mp -59.9 -41.2 85.1 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.481 0 C-N-CA 123.553 0.741 . . . . 10.0 110.272 177.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.06 -39.9 87.62 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.207 0.603 . . . . 10.0 112.159 177.028 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -72.07 -42.7 65.91 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.528 -0.733 . . . . 10.0 111.287 176.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 64.3 mt . . . . . 0 N--CA 1.476 0.852 0 C-N-CA 124.361 1.064 . . . . 10.0 110.964 178.15 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.7 t . . . . . 0 C--O 1.237 0.411 0 N-CA-C 109.687 -0.486 . . . . 10.0 109.687 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.9 ttt180 -56.64 -33.46 66.35 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 124.007 0.923 . . . . 10.0 111.401 174.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -61.09 -36.72 80.42 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.809 1.643 . . . . 10.0 113.421 178.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.0 mtt85 -69.71 -46.4 66.07 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.743 0.817 . . . . 10.0 110.879 178.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.431 ' HG ' ' HA ' ' A' ' 40' ' ' CYS . 73.1 m -63.19 -38.53 91.54 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.384 1.474 . . . . 10.0 112.784 174.168 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.88 -41.4 97.83 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.702 0.801 . . . . 10.0 111.564 178.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -63.01 -40.42 97.71 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.274 0.63 . . . . 10.0 111.314 175.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.07 -33.67 76.3 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 124.193 0.997 . . . . 10.0 112.42 175.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.8 tp -71.74 -42.98 66.61 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.94 1.296 . . . . 10.0 109.919 175.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.51 -34.31 57.67 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 115.301 1.593 . . . . 10.0 115.301 -179.733 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 75.4 p -72.91 -12.83 61.11 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 114.484 1.29 . . . . 10.0 114.484 -178.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 83.9 mt -71.09 155.7 92.9 Favored Pre-proline 0 CA--C 1.55 0.955 0 CA-C-N 119.236 0.925 . . . . 10.0 111.41 175.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -56.52 123.91 14.97 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 122.932 2.421 . . . . 10.0 111.049 176.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -59.12 -34.45 72.05 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 113.022 0.749 . . . . 10.0 113.022 -178.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -67.18 -38.32 85.19 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.184 0.994 . . . . 10.0 112.149 174.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -69.56 -41.82 75.38 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.096 0.958 . . . . 10.0 111.103 177.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 47.9 t -59.74 -42.28 88.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 124.468 1.107 . . . . 10.0 110.692 176.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -64.35 -34.12 77.42 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 112.673 0.619 . . . . 10.0 112.673 176.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 71.0 m -61.44 -35.3 77.18 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.37 -0.831 . . . . 10.0 112.321 177.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.6 mm -64.68 -36.15 76.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 CA-C-N 119.097 0.862 . . . . 10.0 111.011 177.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 38.9 mt -63.99 -30.13 71.24 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.011 -1.056 . . . . 10.0 112.305 176.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.75 -5.11 57.86 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 124.946 1.298 . . . . 10.0 113.763 176.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -123.83 -27.59 3.93 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 114.789 1.403 . . . . 10.0 114.789 -178.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -141.15 -26.35 0.71 Allowed 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 114.464 1.283 . . . . 10.0 114.464 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 84.31 1.59 89.39 Favored Glycine 0 CA--C 1.538 1.496 0 N-CA-C 115.932 1.133 . . . . 10.0 115.932 177.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -160.23 165.58 31.21 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.11 1.364 . . . . 10.0 112.035 -179.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 93.7 mt -130.6 134.62 61.84 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 125.237 1.415 . . . . 10.0 110.356 179.065 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -95.87 100.16 11.88 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.2 1.8 . . . . 10.0 108.175 175.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 3.1 mmt -91.37 153.07 20.15 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 124.958 1.303 . . . . 10.0 112.843 -177.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 73.4 m80 -121.13 125.44 47.22 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.512 1.525 . . . . 10.0 109.343 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.431 ' HA ' ' HG ' ' A' ' 14' ' ' CYS . 53.9 t -51.1 119.54 4.09 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.137 1.775 . . . . 10.0 111.871 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -63.69 -15.69 59.1 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 123.395 0.678 . . . . 10.0 112.735 178.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -92.04 -38.58 12.13 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.932 1.693 . . . . 10.0 113.893 -178.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.9 p -141.19 -10.43 0.97 Allowed 'General case' 0 CA--C 1.553 1.072 0 N-CA-C 117.925 2.565 . . . . 10.0 117.925 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 97.44 -6.44 63.21 Favored Glycine 0 CA--C 1.539 1.588 0 C-N-CA 125.193 1.377 . . . . 10.0 116.077 179.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -53.28 145.93 13.01 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 125.68 1.592 . . . . 10.0 113.194 179.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 71.7 m-70 -82.74 142.76 31.37 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 114.368 1.247 . . . . 10.0 114.368 -177.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -149.68 131.89 15.46 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 127.006 2.122 . . . . 10.0 107.771 174.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -102.65 143.06 32.8 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.876 0.871 . . . . 10.0 112.656 -178.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -130.58 126.07 35.79 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.036 1.334 . . . . 10.0 110.043 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 -91.07 172.53 8.5 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.435 1.094 . . . . 10.0 111.28 -178.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.31 -39.55 70.06 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.237 -0.915 . . . . 10.0 112.08 177.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -65.28 -38.1 89.24 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.134 1.374 . . . . 10.0 112.239 177.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -71.99 -48.01 47.96 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.077 0.951 . . . . 10.0 110.954 177.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 69.6 mt -60.93 -39.13 81.04 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.134 0 C-N-CA 125.894 1.677 . . . . 10.0 110.863 -179.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.62 -41.08 72.99 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 119.001 0.819 . . . . 10.0 112.811 178.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -74.02 -46.95 40.32 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.517 -0.74 . . . . 10.0 111.217 176.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 93.5 mt . . . . . 0 N--CA 1.476 0.858 0 C-N-CA 124.424 1.09 . . . . 10.0 111.411 179.139 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 88.5 p . . . . . 0 C--O 1.238 0.453 0 CA-C-O 121.147 0.499 . . . . 10.0 111.168 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 66.3 mtp85 -57.35 -35.28 69.73 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.106 0.562 . . . . 10.0 111.405 174.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -60.83 -43.86 97.69 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.3 1.04 . . . . 10.0 112.822 179.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 62.9 mtt180 -60.87 -46.03 92.21 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 121.728 -0.608 . . . . 10.0 111.8 178.009 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.7 t -72.6 -33.19 66.53 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 112.848 0.685 . . . . 10.0 112.848 178.044 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.66 96.06 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.523 0.729 . . . . 10.0 110.51 175.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -63.04 -34.52 77.76 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 121.548 -0.72 . . . . 10.0 111.763 175.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.58 -33.82 74.73 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 123.663 0.785 . . . . 10.0 111.884 174.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 15.4 tp -74.51 -40.89 61.5 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.46 1.504 . . . . 10.0 110.824 177.072 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -49.55 -35.16 19.48 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 128.13 2.572 . . . . 10.0 114.768 178.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 77.6 p -78.44 -13.83 59.65 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 114.556 1.317 . . . . 10.0 114.556 -179.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 71.4 mt -70.23 153.19 95.4 Favored Pre-proline 0 CA--C 1.55 0.958 0 CA-C-N 119.576 1.08 . . . . 10.0 111.644 178.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -53.4 125.12 17.45 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 123.518 2.812 . . . . 10.0 112.863 179.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -60.01 -35.78 75.79 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 113.326 0.861 . . . . 10.0 113.326 -178.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -64.38 -39.54 94.06 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.707 0.803 . . . . 10.0 111.509 176.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -69.53 -41.85 75.42 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.88 0.872 . . . . 10.0 110.41 176.261 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 24.6 t -57.79 -48.51 83.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 124.008 0.923 . . . . 10.0 109.66 175.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.4 -37.57 87.98 Favored 'General case' 0 CA--C 1.539 0.537 0 O-C-N 121.669 -0.645 . . . . 10.0 112.495 177.574 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 68.5 m -63.0 -45.18 93.61 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.656 0.782 . . . . 10.0 111.847 178.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 74.6 mt -64.72 -44.12 96.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 CA-C-N 118.692 0.678 . . . . 10.0 109.975 176.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 49.7 mt -59.22 -38.94 81.2 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 121.288 -0.883 . . . . 10.0 111.984 176.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.95 -8.39 36.67 Favored 'General case' 0 CA--C 1.55 0.969 0 N-CA-C 114.364 1.246 . . . . 10.0 114.364 177.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -121.6 -20.98 6.34 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 114.362 1.245 . . . . 10.0 114.362 -179.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -140.19 -11.6 1.09 Allowed 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 115.718 1.747 . . . . 10.0 115.718 -178.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.71 -1.47 37.69 Favored Glycine 0 CA--C 1.54 1.613 0 N-CA-C 116.141 1.216 . . . . 10.0 116.141 179.135 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -154.91 161.79 41.31 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.029 1.332 . . . . 10.0 112.426 179.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 61.0 mt -134.44 136.42 52.86 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 C-N-CA 125.913 1.685 . . . . 10.0 109.604 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -103.6 132.06 50.19 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.646 1.178 . . . . 10.0 108.678 174.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 13.9 tpt -127.41 152.94 46.87 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 124.902 1.281 . . . . 10.0 111.333 -178.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 50.4 t60 -93.94 134.71 36.03 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.989 1.316 . . . . 10.0 112.833 -176.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 13.3 t -79.19 76.21 5.72 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 127.122 2.169 . . . . 10.0 109.409 176.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -57.24 -15.35 5.78 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 113.767 1.025 . . . . 10.0 113.767 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 67.5 m-85 -62.33 -36.78 83.27 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.092 1.757 . . . . 10.0 113.165 175.112 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 22.6 p -149.78 -18.06 0.26 Allowed 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 117.486 2.402 . . . . 10.0 117.486 -177.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 128.73 -12.71 6.19 Favored Glycine 0 CA--C 1.536 1.365 0 CA-C-N 120.564 1.529 . . . . 10.0 116.6 176.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -70.39 -168.98 0.27 Allowed 'General case' 0 CA--C 1.558 1.285 0 C-N-CA 125.477 1.511 . . . . 10.0 113.129 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 7.4 p80 -151.37 161.71 42.21 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 126.071 1.748 . . . . 10.0 110.69 175.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -148.36 149.0 31.0 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 125.52 1.528 . . . . 10.0 108.644 -179.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.7 pp -113.22 144.75 42.17 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.65 0.78 . . . . 10.0 112.276 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -134.49 126.94 30.44 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 125.739 1.615 . . . . 10.0 111.725 -174.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 59.5 m-20 -88.14 171.33 10.32 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.906 0.883 . . . . 10.0 110.809 178.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.33 -37.21 67.13 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 123.545 0.738 . . . . 10.0 112.9 178.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 2.4 mpt? -65.11 -38.24 90.03 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.707 1.203 . . . . 10.0 112.472 178.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -72.15 -44.11 63.59 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.992 0.917 . . . . 10.0 110.072 176.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 51.4 mt -60.2 -33.48 53.67 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 C-N-CA 125.086 1.354 . . . . 10.0 111.417 176.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.35 -35.93 74.78 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.692 -0.63 . . . . 10.0 111.596 174.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -72.82 -39.38 66.66 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.781 1.173 . . . . 10.0 110.772 176.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 97.0 mt . . . . . 0 CA--C 1.545 0.752 0 O-C-N 121.387 -0.821 . . . . 10.0 110.151 175.141 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.9 m . . . . . 0 CA--C 1.539 0.519 0 N-CA-C 106.928 -1.508 . . . . 10.0 106.928 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.6 ttp85 -55.03 -35.18 64.19 Favored 'General case' 0 N--CA 1.48 1.043 0 O-C-N 121.183 -0.948 . . . . 10.0 112.255 179.245 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -58.58 -39.52 80.57 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.401 1.481 . . . . 10.0 113.593 176.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.4 mmm-85 -67.53 -45.33 76.04 Favored 'General case' 0 N--CA 1.481 1.106 0 O-C-N 121.226 -0.921 . . . . 10.0 110.822 177.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 17.8 t -62.54 -38.06 88.56 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.631 0.772 . . . . 10.0 111.687 173.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.76 -41.37 97.6 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.083 0.953 . . . . 10.0 110.972 177.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -59.58 -34.72 73.07 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.966 0.906 . . . . 10.0 112.401 177.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.29 -33.76 73.68 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 123.571 0.748 . . . . 10.0 112.319 175.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.3 tp -76.01 -44.65 38.44 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.438 1.495 . . . . 10.0 110.581 176.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -47.7 -39.54 17.74 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 128.404 2.681 . . . . 10.0 114.497 179.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 59.9 p -81.96 -9.88 59.43 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 115.085 1.513 . . . . 10.0 115.085 -178.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 95.4 mt -66.32 155.27 88.51 Favored Pre-proline 0 CA--C 1.548 0.875 0 CA-C-N 119.556 1.071 . . . . 10.0 111.29 177.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -53.56 119.21 5.83 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 123.254 2.636 . . . . 10.0 111.403 178.181 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -58.31 -35.28 71.62 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 113.406 0.891 . . . . 10.0 113.406 -176.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -63.77 -39.42 94.22 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.723 0.809 . . . . 10.0 111.466 176.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -69.58 -45.29 68.99 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.53 -0.731 . . . . 10.0 110.936 176.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 62.6 t -58.29 -48.79 83.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 123.832 0.853 . . . . 10.0 110.134 177.095 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -61.26 -38.68 87.59 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.94 0.896 . . . . 10.0 112.074 176.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 66.2 m -61.83 -43.67 98.38 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.211 0.604 . . . . 10.0 111.938 177.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 75.1 mt -64.35 -46.96 91.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 CA-C-N 118.757 0.708 . . . . 10.0 109.959 176.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 97.1 mt -60.08 -37.85 81.14 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.577 -0.702 . . . . 10.0 112.248 178.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.63 -9.28 41.7 Favored 'General case' 0 CA--C 1.55 0.969 0 N-CA-C 114.273 1.212 . . . . 10.0 114.273 176.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -122.45 -15.77 7.5 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 114.391 1.256 . . . . 10.0 114.391 -179.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -142.16 -13.17 0.82 Allowed 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 115.576 1.695 . . . . 10.0 115.576 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 73.2 -8.14 9.46 Favored Glycine 0 CA--C 1.539 1.538 0 N-CA-C 116.254 1.262 . . . . 10.0 116.254 179.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -152.15 164.15 37.9 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 118.924 1.362 . . . . 10.0 113.324 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 70.1 mt -135.93 135.93 50.21 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 C-N-CA 126.937 2.095 . . . . 10.0 109.775 -177.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -97.84 124.22 42.14 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.917 1.687 . . . . 10.0 107.54 174.051 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 15.1 tpt -131.71 153.18 50.29 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.067 0.947 . . . . 10.0 111.787 -175.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 67.7 m-70 -119.65 140.36 50.75 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.429 1.092 . . . . 10.0 111.556 179.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 40.5 t -53.94 118.86 4.33 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.474 1.91 . . . . 10.0 110.653 177.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -66.95 -9.14 35.29 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 113.095 0.776 . . . . 10.0 113.095 179.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -99.6 -42.73 6.77 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.913 1.685 . . . . 10.0 114.01 -177.254 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.6 p -132.3 -9.98 3.3 Favored 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 116.64 2.089 . . . . 10.0 116.64 179.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 94.42 -2.12 67.5 Favored Glycine 0 CA--C 1.536 1.393 0 N-CA-C 116.914 1.526 . . . . 10.0 116.914 176.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -58.32 138.82 56.15 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 120.152 1.976 . . . . 10.0 112.118 178.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -82.68 150.91 26.49 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.155 0.982 . . . . 10.0 113.453 -178.636 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -153.24 153.28 32.38 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 126.35 1.86 . . . . 10.0 109.024 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 91.9 mt -114.58 142.18 46.78 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.823 0.849 . . . . 10.0 112.693 -178.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -136.33 139.2 42.41 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 126.171 1.788 . . . . 10.0 110.011 -179.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 22.4 p30 -121.62 172.58 8.01 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 124.033 0.933 . . . . 10.0 112.118 178.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.3 -41.96 73.06 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 113.422 0.897 . . . . 10.0 113.422 -178.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 26.3 mmt -70.51 -39.03 74.34 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.134 0.573 . . . . 10.0 112.276 178.048 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -67.82 -43.42 79.63 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 121.299 -0.875 . . . . 10.0 111.534 178.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 80.6 mt -65.32 -35.46 75.39 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 C-N-CA 124.582 1.153 . . . . 10.0 110.288 176.21 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.17 -36.59 84.55 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 121.792 -0.568 . . . . 10.0 111.416 175.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -72.37 -40.41 67.31 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 121.516 -0.74 . . . . 10.0 110.88 175.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 52.4 mt . . . . . 0 N--CA 1.479 1.015 0 CA-C-N 119.151 0.887 . . . . 10.0 109.948 175.654 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.5 m . . . . . 0 N--CA 1.473 0.701 0 N-CA-C 113.557 0.947 . . . . 10.0 113.557 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 19.4 ptp180 -54.4 -33.73 59.89 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 125.456 1.502 . . . . 10.0 114.219 -179.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -57.0 -36.47 70.44 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.413 1.485 . . . . 10.0 112.724 -179.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 65.5 mtt85 -67.67 -41.81 83.15 Favored 'General case' 0 N--CA 1.478 0.943 0 O-C-N 121.405 -0.809 . . . . 10.0 111.401 175.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 16.7 t -65.54 -41.91 92.51 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-O 121.075 0.464 . . . . 10.0 110.964 174.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.78 -42.7 99.33 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.711 1.204 . . . . 10.0 112.191 178.095 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -61.02 -38.17 85.14 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.937 0.895 . . . . 10.0 111.774 177.03 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.93 -33.64 74.06 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.489 0.716 . . . . 10.0 112.54 175.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.1 tp -76.05 -47.11 25.97 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.827 1.251 . . . . 10.0 111.656 178.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.11 -21.23 66.77 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 115.881 1.808 . . . . 10.0 115.881 -176.013 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 36.2 p -82.17 -10.55 59.12 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 113.606 0.965 . . . . 10.0 113.606 177.14 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 97.8 mt -67.43 159.7 76.24 Favored Pre-proline 0 CA--C 1.551 0.991 0 C-N-CA 124.495 1.118 . . . . 10.0 111.624 177.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -47.08 127.32 12.51 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 123.914 3.076 . . . . 10.0 113.895 179.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -54.91 -39.51 68.88 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.478 1.111 . . . . 10.0 112.987 -178.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -62.33 -41.57 98.66 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.385 1.074 . . . . 10.0 112.343 178.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -66.45 -45.53 79.46 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 121.422 -0.799 . . . . 10.0 110.987 178.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 96.4 t -60.97 -48.0 91.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 123.635 0.774 . . . . 10.0 110.078 177.007 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -59.57 -43.76 93.51 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.87 0.868 . . . . 10.0 112.6 178.228 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 31.4 m -59.79 -43.69 94.29 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 119.012 0.824 . . . . 10.0 112.818 178.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 62.1 mt -68.21 -45.37 83.06 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 CA-C-N 119.291 0.951 . . . . 10.0 110.398 178.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 93.4 mt -61.35 -35.61 77.93 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.3 -0.875 . . . . 10.0 112.208 177.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.4 -14.7 61.77 Favored 'General case' 0 CA--C 1.549 0.934 0 N-CA-C 113.969 1.1 . . . . 10.0 113.969 176.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -111.85 -26.69 8.81 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.892 1.277 . . . . 10.0 114.244 -177.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -136.72 -15.61 1.57 Allowed 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 115.008 1.485 . . . . 10.0 115.008 -178.399 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.95 -9.25 25.71 Favored Glycine 0 CA--C 1.537 1.412 0 C-N-CA 124.693 1.139 . . . . 10.0 115.799 179.141 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -143.62 160.83 39.96 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.95 1.3 . . . . 10.0 112.014 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 84.9 mt -134.26 136.56 53.04 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 C-N-CA 126.747 2.019 . . . . 10.0 108.634 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -124.4 123.78 40.92 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.394 1.478 . . . . 10.0 109.864 178.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 57.2 mtt -137.3 156.26 48.47 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.444 1.498 . . . . 10.0 112.415 -177.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 12.0 p-80 -94.45 141.65 28.34 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.606 0.763 . . . . 10.0 111.67 178.142 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 53.4 t -56.11 120.46 7.55 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 127.211 2.204 . . . . 10.0 110.815 178.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -65.56 -13.91 59.98 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 113.049 0.759 . . . . 10.0 113.049 179.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -102.04 -36.96 8.39 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.826 1.65 . . . . 10.0 114.04 -178.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 5.9 m -125.07 -11.19 7.08 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 116.338 1.977 . . . . 10.0 116.338 -173.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.33 -8.73 45.04 Favored Glycine 0 CA--C 1.541 1.676 0 N-CA-C 116.02 1.168 . . . . 10.0 116.02 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -66.73 150.0 49.72 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 118.889 1.344 . . . . 10.0 112.093 178.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 10.5 p-80 -82.79 150.9 26.36 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 120.981 -1.074 . . . . 10.0 113.413 -179.206 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -150.23 133.48 16.34 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 126.489 1.916 . . . . 10.0 108.361 177.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.7 pp -114.55 142.31 46.59 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.021 0.929 . . . . 10.0 111.804 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -136.34 151.86 50.04 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 125.858 1.663 . . . . 10.0 110.579 -178.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 23.5 p30 -121.15 179.2 4.47 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 121.794 0.807 . . . . 10.0 113.052 179.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.42 -39.97 70.88 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 112.938 0.718 . . . . 10.0 112.938 -179.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 34.8 mmt -70.52 -39.18 74.22 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.443 0.697 . . . . 10.0 111.958 177.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -61.43 -48.03 83.03 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 119.005 0.821 . . . . 10.0 110.576 176.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 84.2 mt -65.28 -39.05 84.14 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 C-N-CA 124.64 1.176 . . . . 10.0 110.611 178.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.53 -37.32 83.32 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 118.914 0.779 . . . . 10.0 112.214 176.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -71.04 -43.49 67.75 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 121.465 -0.772 . . . . 10.0 110.694 175.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 54.3 mt . . . . . 0 N--CA 1.479 1.009 0 C-N-CA 124.313 1.045 . . . . 10.0 110.772 177.088 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 45.2 t . . . . . 0 N--CA 1.469 0.503 0 CA-C-O 121.122 0.487 . . . . 10.0 112.299 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 74.7 ttt-85 -55.14 -30.52 59.98 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.751 1.62 . . . . 10.0 111.122 172.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -57.25 -36.36 70.86 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.445 1.498 . . . . 10.0 112.424 177.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 57.3 mtt180 -69.69 -38.49 77.01 Favored 'General case' 0 N--CA 1.477 0.921 0 O-C-N 121.138 -0.976 . . . . 10.0 111.519 175.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 11.8 t -65.47 -40.35 93.05 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.22 0.608 . . . . 10.0 110.586 174.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.96 -43.06 99.63 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.389 1.075 . . . . 10.0 111.129 175.213 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -60.22 -43.08 96.29 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.374 1.07 . . . . 10.0 110.844 176.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.06 -33.72 76.11 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.626 1.17 . . . . 10.0 113.18 176.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 41.3 tp -70.31 -37.49 74.76 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.77 1.228 . . . . 10.0 111.675 179.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.36 -31.55 63.91 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 114.23 1.196 . . . . 10.0 114.23 -177.678 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 72.1 p -73.4 -13.88 61.16 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 114.64 1.348 . . . . 10.0 114.64 -176.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 52.3 mt -65.76 147.21 98.85 Favored Pre-proline 0 CA--C 1.55 0.945 0 CA-C-N 119.4 1.0 . . . . 10.0 111.063 177.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -56.65 139.52 88.34 Favored 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 123.119 2.546 . . . . 10.0 113.0 179.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -57.72 -37.72 74.02 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 123.465 0.706 . . . . 10.0 112.67 179.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -66.44 -37.99 86.41 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.243 0.617 . . . . 10.0 111.998 177.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -69.16 -47.33 65.28 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.056 0.943 . . . . 10.0 110.492 177.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 49.4 t -60.02 -48.96 85.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 124.388 1.075 . . . . 10.0 110.657 177.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -62.73 -37.78 87.91 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.346 0.659 . . . . 10.0 112.303 178.073 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 75.5 m -60.8 -44.32 97.0 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 118.752 0.705 . . . . 10.0 112.055 177.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 61.3 mt -66.85 -45.76 86.87 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 123.119 0.567 . . . . 10.0 110.202 178.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 81.7 mt -60.93 -37.12 81.2 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.278 -0.889 . . . . 10.0 112.463 177.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.69 -9.95 41.55 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 114.284 1.216 . . . . 10.0 114.284 177.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -122.06 -18.72 6.84 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 114.395 1.257 . . . . 10.0 114.395 -179.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -139.82 -11.93 1.14 Allowed 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 115.793 1.775 . . . . 10.0 115.793 -179.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.09 -0.35 39.35 Favored Glycine 0 CA--C 1.539 1.588 0 N-CA-C 115.913 1.125 . . . . 10.0 115.913 179.045 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -157.06 163.03 39.46 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.51 1.524 . . . . 10.0 111.851 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 31.4 mt -133.84 136.31 54.11 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 C-N-CA 125.75 1.62 . . . . 10.0 109.644 -179.187 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -99.18 130.7 45.5 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.614 1.166 . . . . 10.0 108.005 173.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 15.9 tpt -131.17 152.52 50.36 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.402 1.081 . . . . 10.0 111.445 -177.09 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 25.8 p-80 -94.59 141.67 28.33 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.786 1.234 . . . . 10.0 112.766 -179.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 53.2 t -77.15 94.11 4.02 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.935 1.694 . . . . 10.0 107.547 173.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -57.15 -20.97 29.32 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 113.327 0.862 . . . . 10.0 113.327 -179.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -82.29 -35.98 27.48 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 126.152 1.781 . . . . 10.0 114.857 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 21.6 m -125.71 -16.27 5.77 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 116.637 2.088 . . . . 10.0 116.637 -174.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 91.86 -3.24 77.41 Favored Glycine 0 CA--C 1.54 1.622 0 C-N-CA 124.504 1.049 . . . . 10.0 114.552 -178.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -71.3 -177.31 1.72 Allowed 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 126.004 1.722 . . . . 10.0 111.235 176.095 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 5.3 p80 -141.83 160.49 40.09 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 120.43 -1.419 . . . . 10.0 111.905 175.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -150.17 154.82 38.66 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 125.851 1.66 . . . . 10.0 109.049 -178.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -112.47 142.12 45.4 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.22 1.008 . . . . 10.0 112.162 -179.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -134.35 122.03 22.03 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 125.784 1.634 . . . . 10.0 111.119 -176.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -82.72 168.39 17.26 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.667 0.787 . . . . 10.0 111.579 179.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.3 -39.11 69.51 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.748 0.819 . . . . 10.0 112.515 178.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 77.0 mtm -66.82 -38.31 86.2 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.78 0.832 . . . . 10.0 112.682 178.074 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -71.11 -43.12 68.32 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 121.341 -0.849 . . . . 10.0 110.434 178.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 56.7 mt -62.45 -36.96 77.45 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 C-N-CA 124.406 1.082 . . . . 10.0 110.391 175.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.54 -39.66 91.99 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.743 -0.598 . . . . 10.0 111.402 175.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -66.06 -42.69 89.14 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.268 -0.895 . . . . 10.0 110.395 175.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 65.3 mt . . . . . 0 N--CA 1.474 0.73 0 C-N-CA 124.36 1.064 . . . . 10.0 110.274 175.904 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 92.4 p . . . . . 0 N--CA 1.473 0.703 0 N-CA-C 114.093 1.146 . . . . 10.0 114.093 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.7 ttm-85 -59.37 -34.18 72.08 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.033 0.933 . . . . 10.0 111.148 174.311 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -57.1 -39.75 75.68 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.483 1.113 . . . . 10.0 112.19 -179.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.4 mmm180 -64.64 -41.21 96.3 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 119.035 0.834 . . . . 10.0 112.223 176.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 10.2 t -68.35 -41.95 79.95 Favored 'General case' 0 CA--C 1.548 0.865 0 C-N-CA 123.906 0.883 . . . . 10.0 111.549 175.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.0 -39.41 92.16 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.197 1.399 . . . . 10.0 112.055 177.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -58.96 -36.39 74.74 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.848 1.259 . . . . 10.0 111.499 177.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.19 -33.79 67.91 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 123.966 0.906 . . . . 10.0 113.274 174.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 18.8 tp -76.28 -45.85 30.62 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.713 1.205 . . . . 10.0 111.838 179.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 42.2 pttt -62.02 -24.06 66.82 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 115.417 1.636 . . . . 10.0 115.417 -176.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 37.4 p -80.11 -11.48 59.75 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 113.595 0.961 . . . . 10.0 113.595 179.256 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 89.0 mt -68.33 154.4 94.24 Favored Pre-proline 0 CA--C 1.551 1.007 0 C-N-CA 123.924 0.89 . . . . 10.0 110.971 176.164 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -52.58 131.13 39.74 Favored 'Trans proline' 0 C--N 1.351 0.708 0 C-N-CA 123.335 2.69 . . . . 10.0 113.192 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -57.88 -39.33 77.59 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.3 0.64 . . . . 10.0 112.512 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -65.63 -39.32 91.34 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.483 0.713 . . . . 10.0 111.713 177.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -65.39 -46.41 80.18 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 121.506 -0.747 . . . . 10.0 110.754 177.28 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 67.5 t -60.92 -47.15 94.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 123.708 0.803 . . . . 10.0 110.291 176.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -58.58 -39.69 81.04 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.924 0.89 . . . . 10.0 112.682 178.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 34.7 m -59.75 -42.64 93.64 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 119.091 0.86 . . . . 10.0 112.367 177.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 27.4 mm -68.59 -43.81 83.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 CA-C-N 119.179 0.899 . . . . 10.0 110.767 177.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 84.0 mt -62.32 -34.0 75.77 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 121.314 -0.866 . . . . 10.0 112.257 177.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.01 -7.04 54.94 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.901 1.28 . . . . 10.0 113.974 176.265 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -119.47 -32.03 4.45 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.641 1.176 . . . . 10.0 113.925 -176.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -136.78 -17.27 1.45 Allowed 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 114.557 1.317 . . . . 10.0 114.557 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.84 -0.62 65.31 Favored Glycine 0 CA--C 1.537 1.441 0 N-CA-C 116.083 1.193 . . . . 10.0 116.083 178.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -149.2 158.77 44.45 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 118.827 1.313 . . . . 10.0 113.508 -178.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 78.9 mt -135.33 133.74 52.55 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 C-N-CA 126.284 1.834 . . . . 10.0 110.0 -178.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -89.95 135.79 33.43 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.131 1.372 . . . . 10.0 108.756 173.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 66.5 mmm -136.6 157.21 47.31 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 125.599 1.56 . . . . 10.0 111.861 -177.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 56.0 m-70 -128.6 134.8 48.69 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.78 1.232 . . . . 10.0 110.233 176.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 53.8 t -55.85 118.06 4.25 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 126.597 1.959 . . . . 10.0 110.964 179.081 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -65.72 -7.27 14.68 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 113.648 0.981 . . . . 10.0 113.648 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -111.76 -36.41 5.46 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 126.242 1.817 . . . . 10.0 114.076 -177.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 10.5 m -122.28 -10.89 8.45 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 115.584 1.698 . . . . 10.0 115.584 -174.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 77.4 -10.29 23.32 Favored Glycine 0 CA--C 1.54 1.64 0 C-N-CA 124.824 1.202 . . . . 10.0 114.83 -177.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -55.85 139.65 45.06 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 126.598 1.959 . . . . 10.0 111.867 178.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 7.8 p-80 -82.53 157.11 23.66 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.293 -0.879 . . . . 10.0 112.92 -178.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -150.65 148.99 29.27 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 126.698 1.999 . . . . 10.0 108.058 179.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 31.8 tp -114.74 139.73 49.46 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.483 1.113 . . . . 10.0 108.33 177.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -134.22 142.6 47.43 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.7 1.2 . . . . 10.0 110.062 179.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -121.24 172.12 8.23 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.323 1.449 . . . . 10.0 110.467 -179.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.41 -39.67 70.49 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 121.613 -0.68 . . . . 10.0 112.558 178.173 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 98.3 mmm -68.01 -37.87 81.95 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.706 0.802 . . . . 10.0 112.572 177.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -65.58 -47.85 74.36 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 118.677 0.671 . . . . 10.0 110.397 177.087 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 95.9 mt -61.7 -37.51 78.18 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 C-N-CA 124.827 1.251 . . . . 10.0 110.773 179.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.4 -37.27 85.12 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.244 0.618 . . . . 10.0 112.236 176.155 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -73.32 -43.8 60.18 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 121.136 -0.977 . . . . 10.0 110.649 175.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 53.7 mt . . . . . 0 N--CA 1.477 0.907 0 C-N-CA 124.713 1.205 . . . . 10.0 111.271 177.214 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 35.6 t . . . . . 0 N--CA 1.467 0.38 0 CA-C-O 121.348 0.594 . . . . 10.0 112.28 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 74.5 ttt-85 -55.1 -30.45 59.74 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 126.153 1.781 . . . . 10.0 111.316 173.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -57.18 -37.12 71.67 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.358 1.463 . . . . 10.0 112.844 178.338 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 83.4 mtt180 -67.52 -43.13 81.54 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 119.148 0.885 . . . . 10.0 111.104 175.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 9.1 t -63.08 -41.11 99.35 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.622 0.769 . . . . 10.0 110.964 176.076 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.08 -44.74 96.02 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.007 1.323 . . . . 10.0 111.576 176.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -60.93 -39.55 89.87 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.026 0.93 . . . . 10.0 111.918 177.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.81 -33.54 76.09 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.62 0.768 . . . . 10.0 112.603 175.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.6 tp -75.77 -43.82 44.59 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.95 1.3 . . . . 10.0 110.996 178.002 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.8 pttt -56.33 -28.71 59.81 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 114.765 1.394 . . . . 10.0 114.765 -177.289 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 38.2 p -81.9 -10.44 59.29 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 114.323 1.231 . . . . 10.0 114.323 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 94.6 mt -68.26 153.9 94.86 Favored Pre-proline 0 CA--C 1.55 0.95 0 CA-C-N 119.329 0.968 . . . . 10.0 111.484 178.033 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -52.31 133.8 49.15 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 123.453 2.768 . . . . 10.0 113.031 179.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -56.35 -41.51 76.26 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.62 0.768 . . . . 10.0 112.098 179.27 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -61.54 -40.82 96.06 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.696 1.198 . . . . 10.0 112.454 178.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -69.49 -45.87 67.95 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.506 0.722 . . . . 10.0 111.031 178.072 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.4 t -60.37 -48.38 88.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 123.656 0.782 . . . . 10.0 110.287 177.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -62.69 -38.25 89.65 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.848 0.859 . . . . 10.0 112.56 177.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 74.0 m -60.94 -42.01 97.34 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 118.709 0.686 . . . . 10.0 112.41 178.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 68.9 mt -67.71 -44.06 86.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 CA-C-N 118.711 0.687 . . . . 10.0 109.934 177.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 95.7 mt -60.92 -37.95 84.07 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.329 -0.857 . . . . 10.0 112.057 176.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.3 -15.04 63.42 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 124.247 1.019 . . . . 10.0 113.729 176.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -108.32 -28.43 9.42 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.035 1.334 . . . . 10.0 114.016 -178.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -140.99 -8.28 1.04 Allowed 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 115.892 1.812 . . . . 10.0 115.892 -177.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 73.54 -3.89 30.84 Favored Glycine 0 CA--C 1.539 1.568 0 O-C-N 120.943 -1.098 . . . . 10.0 115.754 179.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -152.91 161.6 42.35 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.308 1.443 . . . . 10.0 112.197 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 20.1 mt -134.1 136.55 53.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 C-N-CA 126.885 2.074 . . . . 10.0 110.065 -175.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -98.19 129.8 44.95 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.749 1.219 . . . . 10.0 108.514 173.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 15.1 tpt -128.8 149.22 50.82 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.475 1.11 . . . . 10.0 111.066 -177.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 61.7 t60 -99.81 141.61 32.39 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.265 1.426 . . . . 10.0 113.844 -175.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 53.6 t -87.91 89.43 7.99 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.827 1.651 . . . . 10.0 108.162 174.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -58.5 -24.19 59.84 Favored 'General case' 0 CA--C 1.549 0.925 0 O-C-N 121.408 -0.807 . . . . 10.0 113.031 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -72.03 -38.09 69.62 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 126.138 1.775 . . . . 10.0 114.689 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 32.0 m -123.17 -24.25 4.74 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 115.707 1.743 . . . . 10.0 115.707 -174.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.98 -2.58 44.56 Favored Glycine 0 CA--C 1.539 1.577 0 C-N-CA 125.242 1.401 . . . . 10.0 114.009 -178.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -75.12 -172.34 1.65 Allowed 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 126.113 1.765 . . . . 10.0 112.838 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -146.46 163.21 36.4 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.902 1.281 . . . . 10.0 111.029 176.128 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -148.72 156.78 42.83 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 125.719 1.608 . . . . 10.0 108.842 -178.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 58.7 mt -113.74 142.06 46.51 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.799 0.84 . . . . 10.0 111.055 -179.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -135.31 141.84 45.72 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 126.093 1.757 . . . . 10.0 110.069 -178.059 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 24.9 p30 -121.48 175.8 6.0 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.244 1.018 . . . . 10.0 111.823 179.061 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.2 -41.81 72.46 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 113.496 0.924 . . . . 10.0 113.496 -178.082 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 26.5 mmt -70.6 -38.92 74.05 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.201 0.601 . . . . 10.0 112.511 178.097 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -70.91 -40.68 72.01 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 121.267 -0.895 . . . . 10.0 111.579 179.205 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 74.0 mt -64.14 -35.89 75.22 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 C-N-CA 124.523 1.129 . . . . 10.0 109.881 174.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.25 -38.27 90.45 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.703 -0.623 . . . . 10.0 111.19 175.306 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -70.93 -36.55 72.68 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 121.22 -0.925 . . . . 10.0 111.363 175.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 57.0 mt . . . . . 0 N--CA 1.473 0.7 0 O-C-N 121.539 -0.726 . . . . 10.0 109.434 173.907 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.6 t . . . . . 0 N--CA 1.476 0.834 0 N-CA-C 113.196 0.813 . . . . 10.0 113.196 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.6 ttp180 -55.14 -30.47 59.87 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 125.349 1.46 . . . . 10.0 111.46 174.026 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -56.92 -35.2 68.75 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.896 1.278 . . . . 10.0 112.514 178.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.6 mmm180 -69.45 -41.8 75.77 Favored 'General case' 0 N--CA 1.477 0.908 0 O-C-N 121.319 -0.863 . . . . 10.0 111.357 175.097 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 9.1 t -64.5 -39.05 93.06 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 123.991 0.916 . . . . 10.0 110.983 175.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.07 -44.46 96.63 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.982 1.313 . . . . 10.0 111.479 175.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -61.94 -36.62 81.94 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.182 0.993 . . . . 10.0 111.204 176.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.79 -33.66 68.75 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.186 0.994 . . . . 10.0 112.756 174.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.9 tp -70.42 -42.62 71.35 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.468 1.507 . . . . 10.0 111.199 178.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.5 pttm -57.64 -24.22 55.34 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 115.623 1.712 . . . . 10.0 115.623 -177.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 68.6 p -86.8 -11.93 49.52 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 113.657 0.984 . . . . 10.0 113.657 179.26 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 80.2 mt -70.16 156.49 91.75 Favored Pre-proline 0 CA--C 1.55 0.95 0 C-N-CA 124.088 0.955 . . . . 10.0 110.872 176.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -51.53 115.81 2.32 Favored 'Trans proline' 0 C--N 1.352 0.751 0 C-N-CA 123.55 2.833 . . . . 10.0 112.623 178.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -57.92 -35.65 71.37 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 113.157 0.799 . . . . 10.0 113.157 -177.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -65.27 -38.41 90.19 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.847 0.859 . . . . 10.0 112.065 177.382 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -69.52 -43.36 73.2 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 121.295 -0.878 . . . . 10.0 110.179 175.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 42.7 t -57.91 -47.48 86.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 124.513 1.125 . . . . 10.0 109.821 175.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -65.47 -36.55 84.22 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.537 0.735 . . . . 10.0 112.683 177.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.0 m -61.26 -40.26 93.45 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.486 0.714 . . . . 10.0 111.74 177.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 75.6 mt -68.27 -45.0 83.51 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 123.14 0.576 . . . . 10.0 109.671 175.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 61.1 mt -59.04 -37.56 77.29 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 121.143 -0.973 . . . . 10.0 112.337 176.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.27 -6.42 34.77 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 114.527 1.306 . . . . 10.0 114.527 177.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -127.69 -27.82 2.79 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 114.25 1.204 . . . . 10.0 114.25 -177.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -128.4 -16.31 4.41 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.447 1.499 . . . . 10.0 114.617 -179.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.84 -0.83 42.47 Favored Glycine 0 CA--C 1.54 1.618 0 N-CA-C 116.043 1.177 . . . . 10.0 116.043 179.121 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -157.68 161.28 38.57 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.761 1.624 . . . . 10.0 111.671 179.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 16.8 mt -133.63 136.11 54.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 125.619 1.568 . . . . 10.0 109.614 -179.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -103.23 126.44 50.4 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.908 1.683 . . . . 10.0 109.668 176.102 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 28.0 ttt -138.84 149.44 44.91 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.242 1.017 . . . . 10.0 112.362 -177.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 78.1 m-70 -95.35 134.38 38.2 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.3 1.04 . . . . 10.0 110.219 176.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 38.3 t -54.75 121.84 9.42 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.568 1.547 . . . . 10.0 110.906 178.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -63.06 -9.32 9.94 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 115.101 1.519 . . . . 10.0 115.101 -177.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -105.55 -33.92 7.94 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 115.119 1.525 . . . . 10.0 115.119 -176.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 7.5 p -140.62 -0.57 1.54 Allowed 'General case' 0 CA--C 1.551 0.983 0 N-CA-C 116.194 1.924 . . . . 10.0 116.194 -176.245 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 81.7 -2.8 81.84 Favored Glycine 0 CA--C 1.534 1.26 0 N-CA-C 117.596 1.798 . . . . 10.0 117.596 174.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 15.1 t30 -60.85 135.26 57.73 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 120.063 1.931 . . . . 10.0 111.316 178.4 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 15.7 p80 -82.4 143.0 31.51 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 121.408 -0.807 . . . . 10.0 112.253 -179.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -143.74 157.29 44.5 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 126.229 1.812 . . . . 10.0 108.893 179.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -114.99 146.97 40.68 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.075 0.95 . . . . 10.0 111.968 178.311 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -130.53 126.46 36.87 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 125.534 1.534 . . . . 10.0 109.921 179.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 25.8 m-80 -93.53 171.75 8.7 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.418 1.087 . . . . 10.0 111.407 -178.139 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.38 -39.07 75.28 Favored 'General case' 0 CA--C 1.545 0.75 0 O-C-N 121.723 -0.611 . . . . 10.0 111.234 174.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 67.6 mtt -67.34 -39.25 85.79 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.389 1.076 . . . . 10.0 112.343 177.038 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -62.53 -48.05 81.25 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 118.596 0.635 . . . . 10.0 110.381 177.122 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 48.6 mt -66.57 -37.57 79.85 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 C-N-CA 124.198 0.999 . . . . 10.0 111.172 179.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.07 -36.01 78.47 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 118.932 0.787 . . . . 10.0 111.87 174.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -72.36 -45.12 61.24 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 121.524 -0.735 . . . . 10.0 110.642 175.425 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 73.4 mt . . . . . 0 N--CA 1.474 0.741 0 C-N-CA 123.729 0.811 . . . . 10.0 110.085 177.126 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.3 t . . . . . 0 N--CA 1.475 0.801 0 N-CA-C 116.751 2.13 . . . . 10.0 116.751 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.82 -33.25 64.28 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 127.228 2.211 . . . . 10.0 111.839 176.163 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.5 tm-20 -54.72 -44.11 73.21 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 125.009 1.324 . . . . 10.0 112.948 -178.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -69.58 -37.48 76.99 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 118.875 0.762 . . . . 10.0 112.481 176.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 16.6 t -66.5 -42.03 88.01 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.48 0.712 . . . . 10.0 111.306 176.197 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.98 -45.8 92.03 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.121 1.368 . . . . 10.0 111.423 176.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -62.84 -36.42 83.16 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.374 0.669 . . . . 10.0 111.93 177.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.8 -40.69 75.81 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.425 0.69 . . . . 10.0 112.664 176.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.7 tp -62.39 -41.71 98.86 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.236 1.414 . . . . 10.0 112.421 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.5 pttt -59.44 -20.78 57.73 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 114.456 1.28 . . . . 10.0 114.456 -179.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 29.3 p -71.29 -21.66 62.05 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.048 0.939 . . . . 10.0 113.393 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 88.6 mt -69.76 141.7 90.32 Favored Pre-proline 0 CA--C 1.546 0.819 0 C-N-CA 123.901 0.88 . . . . 10.0 110.563 177.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_exo -52.0 128.82 28.27 Favored 'Trans proline' 0 C--N 1.352 0.712 0 C-N-CA 123.213 2.609 . . . . 10.0 112.552 178.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -55.58 -36.0 66.41 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.692 0.797 . . . . 10.0 113.011 -178.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -62.87 -42.3 99.7 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.682 0.793 . . . . 10.0 112.152 177.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -69.94 -40.03 75.74 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.334 -0.854 . . . . 10.0 111.517 176.364 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.53 -45.53 96.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 123.899 0.88 . . . . 10.0 109.916 176.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -61.09 -39.18 88.96 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.081 0.953 . . . . 10.0 112.228 176.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 75.7 m -59.93 -40.76 90.0 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 119.228 0.922 . . . . 10.0 112.199 176.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 80.9 mt -68.03 -46.19 82.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 123.558 0.743 . . . . 10.0 109.993 177.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 93.8 mt -59.74 -36.65 77.03 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 121.445 -0.785 . . . . 10.0 111.679 177.134 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.01 -11.1 56.05 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 114.909 1.448 . . . . 10.0 114.909 177.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -122.72 -11.73 8.17 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 114.912 1.449 . . . . 10.0 114.912 179.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -141.69 -14.79 0.83 Allowed 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 115.159 1.54 . . . . 10.0 115.159 179.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.73 -4.69 20.62 Favored Glycine 0 CA--C 1.538 1.51 0 C-N-CA 125.108 1.337 . . . . 10.0 115.932 178.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -155.97 168.13 28.21 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.418 1.487 . . . . 10.0 111.986 -179.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 65.2 mt -135.2 129.91 50.77 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 C-N-CA 126.436 1.894 . . . . 10.0 109.885 -177.337 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -91.92 105.06 17.41 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 107.177 -1.416 . . . . 10.0 107.177 173.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.91 153.31 23.74 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 124.68 1.192 . . . . 10.0 111.712 -175.683 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 71.5 m80 -118.89 136.07 54.24 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.349 1.06 . . . . 10.0 111.424 179.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 13.8 t -73.84 86.25 1.73 Allowed 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 127.16 2.184 . . . . 10.0 109.451 178.093 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -51.94 -22.3 3.78 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.08 1.352 . . . . 10.0 114.494 -177.349 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -65.68 -33.48 75.99 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 127.005 2.122 . . . . 10.0 114.277 177.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 31.2 p -139.97 -28.96 0.73 Allowed 'General case' 0 CA--C 1.549 0.928 0 N-CA-C 116.43 2.011 . . . . 10.0 116.43 -178.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.72 -4.49 17.0 Favored Glycine 0 CA--C 1.537 1.45 0 C-N-CA 125.522 1.534 . . . . 10.0 115.748 178.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -64.33 168.14 6.0 Favored 'General case' 0 CA--C 1.552 1.036 0 CA-C-N 119.19 1.495 . . . . 10.0 112.666 179.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -122.19 150.6 42.03 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.573 1.549 . . . . 10.0 112.535 179.087 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -150.96 152.75 34.03 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 125.736 1.614 . . . . 10.0 109.592 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 88.6 mt -106.47 141.81 37.16 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.034 0.533 . . . . 10.0 110.604 178.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -134.89 146.06 48.84 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.847 1.259 . . . . 10.0 110.702 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.3 p30 -127.34 175.69 8.0 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.706 1.603 . . . . 10.0 111.117 179.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.44 -42.49 74.29 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 113.575 0.954 . . . . 10.0 113.575 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 21.3 mmt -70.72 -40.61 72.7 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.511 0.724 . . . . 10.0 112.249 178.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.65 -43.39 98.93 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 121.398 -0.814 . . . . 10.0 110.577 175.724 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 75.3 mt -64.96 -40.38 88.89 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 C-N-CA 124.369 1.068 . . . . 10.0 110.512 177.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.63 -36.9 85.35 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 121.457 -0.777 . . . . 10.0 111.819 175.25 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -68.89 -42.89 76.32 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.379 -0.825 . . . . 10.0 110.368 175.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 51.0 mt . . . . . 0 N--CA 1.475 0.778 0 C-N-CA 124.045 0.938 . . . . 10.0 110.117 176.305 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 31.8 m . . . . . 0 N--CA 1.475 0.796 0 N-CA-C 115.948 1.833 . . . . 10.0 115.948 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.7 ttp180 -55.11 -29.9 58.62 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 125.084 1.353 . . . . 10.0 113.321 -179.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -52.34 -42.33 63.78 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.251 1.421 . . . . 10.0 113.225 -179.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 49.2 mtt180 -66.53 -42.4 87.28 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-N 119.59 1.086 . . . . 10.0 111.763 175.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 60.5 m -63.25 -39.27 94.13 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 118.674 0.67 . . . . 10.0 111.166 175.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.0 -43.77 98.14 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.958 0.903 . . . . 10.0 111.105 176.145 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -65.02 -42.18 94.61 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.633 -0.667 . . . . 10.0 111.636 176.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.8 -33.55 74.31 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.032 0.933 . . . . 10.0 112.256 175.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 15.8 tp -75.19 -44.98 43.52 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.84 1.656 . . . . 10.0 110.64 177.217 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.19 -24.3 64.67 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 116.566 2.061 . . . . 10.0 116.566 -177.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 42.5 p -78.3 -16.01 58.18 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 113.324 0.861 . . . . 10.0 113.324 178.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 87.2 mt -72.03 155.34 91.95 Favored Pre-proline 0 CA--C 1.547 0.86 0 C-N-CA 124.403 1.081 . . . . 10.0 111.335 177.218 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -54.89 139.28 78.7 Favored 'Trans proline' 0 C--N 1.351 0.701 0 C-N-CA 122.858 2.372 . . . . 10.0 111.55 176.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -57.06 -42.0 79.75 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 121.6 -0.687 . . . . 10.0 112.25 -179.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -62.17 -30.98 71.44 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 113.899 1.074 . . . . 10.0 113.899 177.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -69.23 -36.57 77.33 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.136 0.974 . . . . 10.0 111.182 175.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 98.3 t -75.9 -45.25 37.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 124.465 1.106 . . . . 10.0 110.527 176.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -62.43 -36.49 82.56 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.098 1.359 . . . . 10.0 113.915 -178.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 94.0 p -61.51 -35.29 77.29 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 113.065 0.765 . . . . 10.0 113.065 179.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 8.9 mm -68.52 -38.25 78.9 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 CA-C-N 119.06 0.846 . . . . 10.0 110.591 177.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 64.2 mt -62.1 -30.36 70.96 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.191 -0.943 . . . . 10.0 112.224 175.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.48 -6.2 57.8 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 124.778 1.231 . . . . 10.0 114.051 176.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -124.86 -26.65 3.72 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 114.602 1.334 . . . . 10.0 114.602 -177.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -138.79 -25.96 0.88 Allowed 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 114.25 1.204 . . . . 10.0 114.25 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.06 -2.93 88.01 Favored Glycine 0 CA--C 1.538 1.483 0 N-CA-C 115.667 1.027 . . . . 10.0 115.667 178.056 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -151.17 163.0 39.84 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.938 1.695 . . . . 10.0 111.22 179.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 73.4 mt -131.24 136.47 57.64 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 C-N-CA 126.159 1.783 . . . . 10.0 109.116 179.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -108.05 133.06 52.88 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 125.363 1.465 . . . . 10.0 109.014 176.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 14.9 ttt -136.6 139.32 42.03 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.646 0.779 . . . . 10.0 111.841 -177.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 15.6 t60 -94.64 134.63 37.0 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.656 1.183 . . . . 10.0 111.472 -178.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 41.9 t -80.18 80.8 6.55 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.514 1.526 . . . . 10.0 108.607 175.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -57.23 -20.94 30.37 Favored 'General case' 0 CA--C 1.548 0.867 0 O-C-N 121.321 -0.862 . . . . 10.0 112.423 178.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -68.58 -39.59 80.89 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.544 1.938 . . . . 10.0 113.991 178.039 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 28.1 m -127.06 -28.64 2.86 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 116.303 1.964 . . . . 10.0 116.303 -173.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 116.05 -9.91 18.1 Favored Glycine 0 CA--C 1.54 1.599 0 C-N-CA 125.537 1.542 . . . . 10.0 115.258 179.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 54.9 t30 -75.21 -173.95 2.18 Favored 'General case' 0 CA--C 1.555 1.144 0 C-N-CA 125.336 1.454 . . . . 10.0 112.658 179.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -143.53 163.11 34.09 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.355 1.462 . . . . 10.0 109.742 173.378 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -147.46 153.97 40.22 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 124.739 1.215 . . . . 10.0 109.508 -177.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 94.3 mt -114.45 147.5 39.2 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.892 0.877 . . . . 10.0 110.487 179.022 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -134.59 139.27 45.22 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 125.252 1.421 . . . . 10.0 110.222 179.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.4 p30 -121.71 -178.97 3.96 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.306 1.043 . . . . 10.0 113.091 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.8 -38.33 69.82 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 113.559 0.948 . . . . 10.0 113.559 179.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 65.0 mtt -70.42 -38.71 74.62 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.46 0.704 . . . . 10.0 111.667 177.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -63.21 -46.79 85.33 Favored 'General case' 0 N--CA 1.467 0.411 0 O-C-N 121.706 -0.621 . . . . 10.0 110.367 175.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 48.3 mt -63.83 -38.39 82.22 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 C-N-CA 124.665 1.186 . . . . 10.0 110.856 178.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.69 -36.04 79.73 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 118.765 0.711 . . . . 10.0 111.894 175.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -73.43 -43.67 59.9 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 121.562 -0.711 . . . . 10.0 110.821 174.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 71.8 mt . . . . . 0 CA--C 1.546 0.824 0 O-C-N 120.876 -1.14 . . . . 10.0 110.531 175.549 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.6 t . . . . . 0 N--CA 1.477 0.916 0 N-CA-C 117.68 2.474 . . . . 10.0 117.68 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 32.6 ttt180 -54.66 -30.29 54.94 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 128.307 2.643 . . . . 10.0 112.626 177.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -56.99 -35.22 68.94 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.979 0.912 . . . . 10.0 112.335 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.8 mmp_? -69.23 -45.95 68.56 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.712 0.805 . . . . 10.0 111.665 176.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 8.6 t -63.83 -37.83 88.84 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.386 1.074 . . . . 10.0 111.339 176.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.62 -44.53 93.66 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.721 1.208 . . . . 10.0 110.758 175.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -63.23 -37.6 87.89 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.566 -0.709 . . . . 10.0 111.546 176.009 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.06 -33.83 76.29 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 123.493 0.717 . . . . 10.0 112.0 175.062 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.3 tp -76.06 -43.04 45.6 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.713 1.605 . . . . 10.0 110.742 176.005 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -50.93 -36.6 39.42 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 127.636 2.374 . . . . 10.0 114.605 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 52.0 p -77.77 -13.06 60.01 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 114.547 1.314 . . . . 10.0 114.547 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 78.5 mt -70.63 154.01 94.61 Favored Pre-proline 0 CA--C 1.55 0.976 0 CA-C-N 119.539 1.063 . . . . 10.0 111.194 177.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -53.72 132.19 47.98 Favored 'Trans proline' 0 C--N 1.352 0.719 0 C-N-CA 123.253 2.635 . . . . 10.0 113.083 179.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -57.49 -40.28 78.29 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.782 0.833 . . . . 10.0 113.028 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -63.85 -38.45 91.15 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.64 1.176 . . . . 10.0 112.672 177.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -69.26 -43.59 73.63 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.487 -0.758 . . . . 10.0 110.618 178.023 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 71.0 t -61.47 -48.68 87.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 123.69 0.796 . . . . 10.0 109.905 176.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -60.17 -39.92 88.1 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.012 0.925 . . . . 10.0 112.478 177.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.6 t -60.25 -45.72 92.27 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.801 0.84 . . . . 10.0 112.104 178.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 63.1 mt -65.12 -44.35 95.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 O-C-N 121.438 -0.789 . . . . 10.0 110.366 177.019 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 72.1 mt -59.81 -35.04 73.88 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 121.382 -0.824 . . . . 10.0 112.271 177.301 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.78 -8.44 54.26 Favored 'General case' 0 CA--C 1.55 0.974 0 N-CA-C 114.337 1.236 . . . . 10.0 114.337 177.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -122.68 -23.62 5.07 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 114.571 1.323 . . . . 10.0 114.571 -179.048 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -139.1 -17.57 1.04 Allowed 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 115.233 1.568 . . . . 10.0 115.233 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 77.02 -1.08 64.48 Favored Glycine 0 CA--C 1.539 1.554 0 N-CA-C 116.123 1.209 . . . . 10.0 116.123 178.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -151.39 160.51 43.71 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 118.904 1.352 . . . . 10.0 113.178 179.276 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 95.4 mt -134.24 136.32 53.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 126.494 1.918 . . . . 10.0 110.421 -177.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -96.4 127.15 42.13 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.342 1.457 . . . . 10.0 107.841 172.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 13.4 tpt -137.04 160.36 39.16 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.022 1.329 . . . . 10.0 111.623 -176.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -126.29 140.21 52.7 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.171 0.988 . . . . 10.0 112.114 177.766 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 36.6 t -60.51 116.88 4.66 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 126.599 1.96 . . . . 10.0 110.461 179.119 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -63.74 -13.89 47.67 Favored 'General case' 0 CA--C 1.549 0.934 0 N-CA-C 113.764 1.024 . . . . 10.0 113.764 -179.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -89.13 -37.71 14.86 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.976 1.71 . . . . 10.0 114.519 -177.088 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 23.0 p -139.19 -0.46 1.83 Allowed 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 116.582 2.067 . . . . 10.0 116.582 -177.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 81.32 -2.59 81.28 Favored Glycine 0 CA--C 1.537 1.459 0 N-CA-C 116.251 1.26 . . . . 10.0 116.251 177.008 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -61.49 134.85 57.34 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 118.881 1.34 . . . . 10.0 111.653 178.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -87.24 154.53 20.64 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 113.666 0.987 . . . . 10.0 113.666 -179.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -152.8 159.44 43.07 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 127.189 2.196 . . . . 10.0 108.649 177.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -114.77 145.35 42.2 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.336 1.055 . . . . 10.0 110.512 175.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -132.84 145.23 50.79 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.856 1.262 . . . . 10.0 110.898 -179.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 14.7 m-80 -118.16 170.47 8.84 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.867 1.267 . . . . 10.0 111.152 -177.113 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.72 -37.35 68.31 Favored 'General case' 0 CA--C 1.546 0.808 0 O-C-N 121.481 -0.762 . . . . 10.0 111.933 176.036 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 77.3 mtm -64.73 -39.38 93.53 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.562 1.145 . . . . 10.0 112.228 176.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -69.44 -46.01 67.76 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.455 0.702 . . . . 10.0 110.713 176.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 47.7 mt -62.1 -36.92 76.88 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 C-N-CA 125.15 1.38 . . . . 10.0 111.582 -178.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.65 -38.09 83.71 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 118.338 0.517 . . . . 10.0 111.762 174.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -73.37 -43.75 60.03 Favored 'General case' 0 N--CA 1.467 0.419 0 O-C-N 121.536 -0.728 . . . . 10.0 110.538 175.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 71.7 mt . . . . . 0 N--CA 1.479 1.004 0 C-N-CA 124.844 1.258 . . . . 10.0 111.352 178.156 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.1 mpp? . . . . . 0 N--CA 1.487 1.382 0 N-CA-C 109.685 -0.487 . . . . 10.0 109.685 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 34.2 t0 -152.25 174.51 13.69 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.654 1.181 . . . . 10.0 111.99 -179.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.9 p -139.16 143.84 30.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 125.39 1.476 . . . . 10.0 111.422 179.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -97.03 31.69 2.34 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.756 1.622 . . . . 10.0 113.108 -177.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -141.0 94.95 2.77 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 126.05 1.74 . . . . 10.0 109.447 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -149.83 155.62 40.39 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.849 1.66 . . . . 10.0 110.892 -178.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.3 t -58.15 114.42 2.37 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.892 1.277 . . . . 10.0 109.225 173.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 64.2 p -71.27 -10.9 60.52 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 114.451 1.278 . . . . 10.0 114.451 -175.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.2 p -113.96 -87.95 0.56 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 127.339 2.255 . . . . 10.0 109.388 178.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.4 m -177.65 156.77 1.17 Allowed 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 126.895 2.078 . . . . 10.0 112.234 177.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 32.2 ttp85 -55.02 -30.17 58.95 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 124.585 1.154 . . . . 10.0 112.4 176.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -56.16 -31.6 63.54 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.407 1.483 . . . . 10.0 112.286 177.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -70.88 -45.42 64.42 Favored 'General case' 0 N--CA 1.477 0.877 0 O-C-N 121.15 -0.969 . . . . 10.0 110.272 176.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 17.3 t -61.6 -41.94 98.15 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.811 0.844 . . . . 10.0 110.944 174.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.49 -43.93 97.62 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.68 1.192 . . . . 10.0 111.785 176.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -60.88 -41.34 95.79 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 121.232 -0.917 . . . . 10.0 111.366 176.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.46 -33.57 72.76 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.24 1.016 . . . . 10.0 112.638 175.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.0 tp -75.84 -45.28 36.63 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.211 1.404 . . . . 10.0 110.292 176.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.8 tmtt? -53.52 -32.06 48.84 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 126.187 1.795 . . . . 10.0 115.147 -178.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 43.5 p -81.03 -12.5 59.33 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 114.664 1.357 . . . . 10.0 114.664 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 86.7 mt -69.23 153.0 96.38 Favored Pre-proline 0 CA--C 1.55 0.95 0 CA-C-N 119.661 1.118 . . . . 10.0 111.741 178.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -52.79 133.6 51.29 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 123.36 2.707 . . . . 10.0 112.882 178.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -56.98 -40.81 77.23 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.201 0.6 . . . . 10.0 112.31 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -64.99 -35.4 81.06 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.617 0.767 . . . . 10.0 112.922 177.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -69.74 -47.54 62.65 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 121.47 -0.768 . . . . 10.0 110.988 177.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 88.5 t -61.12 -46.94 95.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 123.544 0.738 . . . . 10.0 110.054 177.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -61.44 -39.63 91.53 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.573 0.749 . . . . 10.0 112.314 177.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 75.3 m -60.85 -44.21 97.29 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 118.734 0.697 . . . . 10.0 112.219 178.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 66.1 mt -65.41 -45.58 92.63 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 CA-C-N 118.675 0.671 . . . . 10.0 110.101 177.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 97.3 mt -60.54 -36.6 78.82 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 121.301 -0.874 . . . . 10.0 111.907 177.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.66 -10.96 60.41 Favored 'General case' 0 CA--C 1.55 0.947 0 N-CA-C 114.439 1.274 . . . . 10.0 114.439 177.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -121.05 -19.94 7.0 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 114.491 1.293 . . . . 10.0 114.491 -178.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -136.41 -14.81 1.7 Allowed 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 114.671 1.359 . . . . 10.0 114.671 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.75 -8.08 30.47 Favored Glycine 0 CA--C 1.536 1.405 0 C-N-CA 124.771 1.177 . . . . 10.0 115.831 178.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -156.9 169.78 23.99 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.156 1.383 . . . . 10.0 112.144 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.3 mt -132.85 136.46 55.62 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 C-N-CA 127.354 2.262 . . . . 10.0 108.404 -178.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -119.49 106.94 12.72 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 126.216 1.806 . . . . 10.0 108.449 178.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 26.3 ptm -139.93 157.56 45.49 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 114.585 1.328 . . . . 10.0 114.585 -176.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -94.42 141.87 28.09 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.929 1.692 . . . . 10.0 112.864 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 48.7 t -58.48 126.75 28.9 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.889 1.676 . . . . 10.0 110.823 176.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -63.15 -12.66 29.22 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 114.334 1.235 . . . . 10.0 114.334 -179.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -102.13 -32.29 10.19 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 114.961 1.467 . . . . 10.0 114.961 -177.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 26.5 p -138.81 -2.13 1.75 Allowed 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 116.798 2.147 . . . . 10.0 116.798 -176.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 78.78 -1.91 71.08 Favored Glycine 0 CA--C 1.539 1.556 0 N-CA-C 116.462 1.345 . . . . 10.0 116.462 177.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 -65.71 133.93 52.11 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 119.24 1.52 . . . . 10.0 110.97 178.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -82.44 151.16 26.68 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 113.67 0.989 . . . . 10.0 113.67 -177.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -149.7 156.52 42.01 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 126.99 2.116 . . . . 10.0 109.28 178.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 80.4 mt -112.67 141.85 45.97 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.58 0.752 . . . . 10.0 110.212 178.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -135.41 133.62 38.84 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 125.024 1.33 . . . . 10.0 110.44 -179.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 24.7 p30 -121.91 175.6 6.22 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.779 1.232 . . . . 10.0 111.416 177.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.58 -40.93 72.63 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 113.861 1.06 . . . . 10.0 113.861 -178.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 33.8 mmt -70.6 -39.52 73.77 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.436 0.694 . . . . 10.0 112.239 178.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -66.59 -43.31 85.25 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 121.466 -0.772 . . . . 10.0 110.949 177.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 66.1 mt -63.33 -35.73 73.35 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 C-N-CA 124.82 1.248 . . . . 10.0 110.116 175.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.48 -36.42 84.15 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 121.59 -0.694 . . . . 10.0 111.672 176.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -70.47 -41.84 72.22 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 121.371 -0.831 . . . . 10.0 110.477 175.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 64.6 mt -59.4 -42.72 88.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 124.197 0.999 . . . . 10.0 110.294 176.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 93.2 mtt-85 -65.36 -10.49 33.57 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 125.95 1.7 . . . . 10.0 114.202 176.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 50.8 m-80 -116.51 12.7 15.19 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 126.549 1.94 . . . . 10.0 111.972 177.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -135.64 -30.37 1.0 Allowed 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.436 1.495 . . . . 10.0 113.001 179.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -105.66 22.3 15.76 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 125.889 1.676 . . . . 10.0 112.834 178.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 68.3 m . . . . . 0 C--O 1.253 1.258 0 C-N-CA 126.973 2.109 . . . . 10.0 111.831 -178.897 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.9 ttm . . . . . 0 N--CA 1.486 1.337 0 N-CA-C 110.203 -0.295 . . . . 10.0 110.203 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -149.62 140.37 22.68 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.145 1.378 . . . . 10.0 110.533 178.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.5 m -87.93 145.62 7.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 124.771 1.229 . . . . 10.0 112.31 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -83.67 28.08 0.59 Allowed 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.626 1.57 . . . . 10.0 113.194 179.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -151.15 150.72 30.97 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 126.781 2.032 . . . . 10.0 110.001 -179.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 68.0 mmtt -141.63 161.38 38.07 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.648 1.579 . . . . 10.0 111.072 -178.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 41.9 t 61.98 166.17 0.1 Allowed 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 128.319 2.648 . . . . 10.0 113.261 -177.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.0 p -84.26 -17.49 39.54 Favored 'General case' 0 N--CA 1.478 0.927 0 O-C-N 120.913 -1.117 . . . . 10.0 111.043 175.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 67.6 m -82.47 -161.63 0.49 Allowed 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 127.388 2.275 . . . . 10.0 111.005 175.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.1 m -138.7 167.37 22.12 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 127.153 2.181 . . . . 10.0 108.925 176.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.6 mtp-105 -54.66 -32.92 59.95 Favored 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 112.822 0.675 . . . . 10.0 112.822 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -56.67 -38.4 72.16 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.86 1.664 . . . . 10.0 113.232 178.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.8 mmt85 -67.13 -45.53 76.86 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.768 0.827 . . . . 10.0 111.868 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 14.3 t -68.94 -39.45 79.57 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.174 0.989 . . . . 10.0 111.461 175.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.64 -41.42 97.48 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.587 1.155 . . . . 10.0 112.242 178.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -60.47 -35.48 75.98 Favored 'General case' 0 CA--C 1.541 0.635 0 CA-C-N 119.002 0.819 . . . . 10.0 112.561 178.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.71 -33.77 76.37 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 123.684 0.794 . . . . 10.0 112.201 175.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.0 tp -76.33 -43.22 42.05 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.629 1.572 . . . . 10.0 110.824 176.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.6 ttmt -51.2 -39.91 57.53 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 127.612 2.365 . . . . 10.0 114.184 178.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 42.7 p -73.83 -14.75 61.14 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 114.416 1.265 . . . . 10.0 114.416 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 85.0 mt -68.68 149.3 97.99 Favored Pre-proline 0 CA--C 1.546 0.817 0 CA-C-N 119.546 1.066 . . . . 10.0 110.786 177.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -53.19 135.91 60.77 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 123.233 2.622 . . . . 10.0 112.963 179.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -56.27 -42.27 77.18 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.45 0.7 . . . . 10.0 112.204 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -65.54 -36.35 83.56 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.113 0.965 . . . . 10.0 112.564 177.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -69.55 -44.73 70.31 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.347 -0.845 . . . . 10.0 110.805 177.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 65.3 t -61.05 -47.61 92.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 123.888 0.875 . . . . 10.0 109.841 175.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -60.17 -38.57 83.59 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.941 0.896 . . . . 10.0 112.354 176.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.6 t -59.77 -43.16 94.47 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.665 0.786 . . . . 10.0 111.933 177.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 71.9 mt -66.96 -46.94 83.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 O-C-N 121.507 -0.746 . . . . 10.0 109.965 176.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 97.3 mt -60.05 -34.28 73.21 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.387 -0.821 . . . . 10.0 112.56 178.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.9 -11.48 56.27 Favored 'General case' 0 CA--C 1.549 0.934 0 N-CA-C 114.191 1.182 . . . . 10.0 114.191 177.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -121.75 -20.13 6.55 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 114.182 1.179 . . . . 10.0 114.182 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -131.13 -14.37 3.42 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 115.361 1.615 . . . . 10.0 115.361 -178.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 71.08 -10.14 3.49 Favored Glycine 0 CA--C 1.541 1.693 0 C-N-CA 125.107 1.337 . . . . 10.0 116.085 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -156.78 166.08 34.4 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 126.761 2.024 . . . . 10.0 111.051 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 58.5 mt -129.6 136.26 59.6 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 C-N-CA 125.933 1.693 . . . . 10.0 110.218 -176.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -100.45 94.42 6.14 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.153 1.781 . . . . 10.0 108.169 176.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 39.5 tpp -101.27 153.19 19.85 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.154 1.381 . . . . 10.0 111.841 -176.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 67.1 m-70 -116.2 139.04 50.76 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.05 0.94 . . . . 10.0 112.115 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 40.5 t -51.67 114.86 1.39 Allowed 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 127.221 2.208 . . . . 10.0 110.254 177.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -63.64 -13.31 41.22 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 113.143 0.794 . . . . 10.0 113.143 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -99.49 -37.38 9.21 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 126.292 1.837 . . . . 10.0 114.009 -178.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 9.6 m -129.46 -11.88 4.49 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 116.766 2.136 . . . . 10.0 116.766 -173.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 82.89 -6.22 71.66 Favored Glycine 0 CA--C 1.539 1.563 0 C-N-CA 124.913 1.244 . . . . 10.0 115.983 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -62.63 143.97 56.74 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 119.447 1.623 . . . . 10.0 111.91 178.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 9.1 p-80 -82.78 151.52 26.08 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 113.899 1.074 . . . . 10.0 113.899 -177.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -149.86 143.84 25.57 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 127.164 2.185 . . . . 10.0 108.081 178.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 80.8 mt -106.6 140.44 39.47 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 122.023 -0.423 . . . . 10.0 111.395 -179.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -136.15 121.99 19.91 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.657 1.583 . . . . 10.0 110.629 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 22.1 p30 -97.86 170.42 8.97 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.595 0.758 . . . . 10.0 111.592 177.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.07 -40.58 70.51 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 113.797 1.036 . . . . 10.0 113.797 -177.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 91.9 mmm -70.62 -37.89 73.88 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.251 0.62 . . . . 10.0 112.49 178.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -71.12 -42.23 69.49 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 121.356 -0.84 . . . . 10.0 111.166 178.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 78.0 mt -60.39 -37.64 75.05 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 C-N-CA 124.879 1.271 . . . . 10.0 110.4 175.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.24 -40.07 92.66 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 122.556 0.343 . . . . 10.0 111.688 178.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -72.66 -43.22 63.45 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 121.613 -0.679 . . . . 10.0 111.228 176.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 54.3 mt -58.01 -41.02 79.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 124.362 1.065 . . . . 10.0 111.879 178.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.6 ttt85 -81.74 -15.76 53.31 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 114.766 1.395 . . . . 10.0 114.766 -178.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 65.9 m-80 -110.88 -5.52 14.88 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 114.853 1.427 . . . . 10.0 114.853 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -131.37 -2.57 3.88 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.729 1.612 . . . . 10.0 112.878 177.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 60.81 7.54 1.49 Allowed 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 127.45 2.3 . . . . 10.0 116.562 178.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 41.4 m . . . . . 0 C--O 1.252 1.191 0 C-N-CA 126.592 1.957 . . . . 10.0 112.1 179.501 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.0 mtt . . . . . 0 N--CA 1.488 1.448 0 N-CA-C 110.288 -0.264 . . . . 10.0 110.288 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -150.53 154.73 38.13 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.046 1.338 . . . . 10.0 111.67 -179.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.3 p -151.64 151.42 12.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 125.307 1.443 . . . . 10.0 111.172 179.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -148.91 139.87 22.94 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.406 1.482 . . . . 10.0 110.341 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -62.33 163.21 8.78 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.033 1.333 . . . . 10.0 113.432 178.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.39 14.67 3.78 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 115.167 1.543 . . . . 10.0 115.167 -179.393 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.3 t -147.15 131.34 17.39 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 126.715 2.006 . . . . 10.0 110.393 178.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 56.9 m -85.68 -29.08 24.27 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.803 1.641 . . . . 10.0 112.507 -178.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 31.6 p -100.21 -119.78 0.16 Allowed 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 125.352 1.461 . . . . 10.0 112.654 -178.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.3 t -159.31 166.08 32.0 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 125.826 1.65 . . . . 10.0 112.544 -177.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 73.9 ttt-85 -54.91 -30.67 58.96 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 126.306 1.842 . . . . 10.0 111.594 174.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -57.11 -39.11 74.45 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.415 1.486 . . . . 10.0 112.874 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 51.8 mtp85 -69.64 -39.95 76.79 Favored 'General case' 0 N--CA 1.477 0.92 0 O-C-N 121.317 -0.864 . . . . 10.0 111.365 176.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 11.6 t -66.29 -39.48 89.41 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.549 0.74 . . . . 10.0 111.43 176.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.55 -47.42 85.6 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.074 1.35 . . . . 10.0 111.014 177.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -61.45 -38.32 86.77 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.767 0.827 . . . . 10.0 111.894 177.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.73 -33.53 75.84 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.818 0.847 . . . . 10.0 113.147 176.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.4 tp -76.14 -45.33 34.14 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.297 1.039 . . . . 10.0 111.088 177.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.2 pttt -57.26 -28.89 63.37 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 115.102 1.519 . . . . 10.0 115.102 -176.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 41.1 p -76.96 -11.44 59.81 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 114.328 1.233 . . . . 10.0 114.328 -179.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 77.0 mt -69.06 154.91 94.55 Favored Pre-proline 0 CA--C 1.551 0.997 0 CA-C-N 119.243 0.929 . . . . 10.0 112.43 178.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -50.2 132.83 34.72 Favored 'Trans proline' 0 C--N 1.353 0.775 0 C-N-CA 124.283 3.322 . . . . 10.0 114.257 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 -57.28 -39.84 76.52 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.096 0.958 . . . . 10.0 113.486 -178.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -64.93 -41.76 95.25 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.133 0.573 . . . . 10.0 112.315 179.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -67.62 -43.68 79.82 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 121.372 -0.83 . . . . 10.0 111.287 178.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 55.2 t -60.41 -48.78 86.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 123.774 0.83 . . . . 10.0 110.139 176.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -61.73 -42.5 99.04 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 112.826 0.676 . . . . 10.0 112.826 178.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.6 m -59.7 -42.96 94.19 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.096 0.862 . . . . 10.0 113.068 179.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 64.6 mt -66.79 -47.11 83.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 CA-C-N 119.04 0.836 . . . . 10.0 110.144 178.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 91.0 mt -60.41 -37.33 80.51 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.417 -0.802 . . . . 10.0 112.328 178.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.39 -10.83 55.05 Favored 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 114.745 1.387 . . . . 10.0 114.745 178.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -124.46 -22.78 4.58 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 114.443 1.275 . . . . 10.0 114.443 -179.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -127.45 -15.46 5.09 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 114.799 1.407 . . . . 10.0 114.799 -179.075 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 71.01 0.8 36.66 Favored Glycine 0 CA--C 1.539 1.558 0 CA-C-N 119.401 1.0 . . . . 10.0 115.445 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -152.48 158.96 43.33 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 125.364 1.466 . . . . 10.0 112.963 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 70.7 mt -134.44 136.48 52.8 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 C-N-CA 126.713 2.005 . . . . 10.0 107.909 175.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -110.32 134.77 51.95 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.982 1.313 . . . . 10.0 108.524 176.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 45.8 tpp -131.21 147.87 52.64 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.159 0.984 . . . . 10.0 111.299 -177.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 56.7 t-80 -94.93 137.37 34.08 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.907 1.283 . . . . 10.0 113.009 -177.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 49.0 t -81.83 84.81 6.77 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 126.995 2.118 . . . . 10.0 108.794 175.165 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -60.29 -20.38 58.9 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 121.481 -0.762 . . . . 10.0 112.667 179.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -68.09 -36.21 79.41 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.875 1.67 . . . . 10.0 113.764 177.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 11.8 m -130.12 -29.68 2.04 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 116.517 2.043 . . . . 10.0 116.517 -173.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 100.95 47.06 1.65 Allowed Glycine 0 CA--C 1.536 1.347 0 CA-C-N 119.088 0.858 . . . . 10.0 112.951 -178.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -132.73 -177.85 4.68 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 126.472 1.909 . . . . 10.0 110.607 -178.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -142.17 160.43 40.25 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 120.517 -1.364 . . . . 10.0 111.975 177.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -148.65 148.22 29.83 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 125.476 1.51 . . . . 10.0 108.737 -178.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -114.21 144.28 43.46 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.158 0.983 . . . . 10.0 112.625 -179.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -135.91 152.88 51.46 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 126.699 2.0 . . . . 10.0 111.266 -174.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 26.9 m120 -121.53 171.99 8.41 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.334 1.454 . . . . 10.0 110.696 178.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.45 -43.55 75.55 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.597 0.962 . . . . 10.0 113.597 -178.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.07 -37.14 75.4 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.324 0.649 . . . . 10.0 112.643 177.265 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -69.74 -42.95 73.27 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 119.18 0.9 . . . . 10.0 110.792 178.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 87.9 mt -61.17 -38.08 78.9 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 C-N-CA 124.738 1.215 . . . . 10.0 110.044 175.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.19 -40.76 98.42 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.828 -0.545 . . . . 10.0 111.609 176.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -71.05 -39.52 72.21 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 121.614 -0.679 . . . . 10.0 111.303 176.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 44.5 mt -58.29 -39.19 72.9 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.747 0 O-C-N 121.203 -0.936 . . . . 10.0 109.937 174.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 18.1 mmt85 -73.41 -13.82 61.15 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 115.802 1.778 . . . . 10.0 115.802 177.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -130.13 -11.2 4.2 Favored 'General case' 0 N--CA 1.484 1.229 0 N-CA-C 116.662 2.097 . . . . 10.0 116.662 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -141.58 -8.04 0.97 Allowed 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 125.728 1.611 . . . . 10.0 113.571 -179.213 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 51.92 24.2 2.47 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 126.037 1.735 . . . . 10.0 115.565 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 37.9 m . . . . . 0 C--O 1.252 1.193 0 C-N-CA 126.95 2.1 . . . . 10.0 111.754 -179.38 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.1 ttt . . . . . 0 N--CA 1.486 1.341 0 N-CA-C 110.233 -0.284 . . . . 10.0 110.233 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -77.09 61.46 2.03 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 125.309 1.443 . . . . 10.0 112.35 178.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 29.4 m -61.59 152.28 6.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 125.283 1.433 . . . . 10.0 113.559 -178.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -97.23 31.35 2.49 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.871 1.668 . . . . 10.0 111.835 178.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -59.59 135.1 57.57 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.833 1.653 . . . . 10.0 113.653 -177.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 19.5 pttm -170.71 177.17 3.98 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 128.41 2.684 . . . . 10.0 109.719 -179.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.9 t -73.81 53.35 0.45 Allowed 'General case' 0 CA--C 1.556 1.173 0 C-N-CA 125.351 1.46 . . . . 10.0 111.576 174.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.5 t -63.58 -26.29 68.62 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 120.53 -1.356 . . . . 10.0 111.543 178.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 26.7 p -64.47 -34.41 78.13 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 126.63 1.972 . . . . 10.0 111.997 175.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.7 t 52.07 -168.45 0.04 OUTLIER 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 127.461 2.305 . . . . 10.0 115.52 175.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 54.5 ttt85 -55.57 -34.48 64.8 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.575 1.55 . . . . 10.0 111.039 174.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -58.61 -48.6 80.45 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.753 0.821 . . . . 10.0 112.891 -179.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 -76.28 -32.6 58.88 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 121.197 -0.939 . . . . 10.0 112.135 175.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 6.4 t -61.22 -38.47 86.71 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 118.944 0.793 . . . . 10.0 110.701 174.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.56 -39.13 84.94 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.466 1.106 . . . . 10.0 110.563 173.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -61.36 -35.1 76.52 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.323 1.049 . . . . 10.0 111.753 175.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.51 -33.46 75.73 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 124.35 1.06 . . . . 10.0 111.874 174.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.3 tp -76.07 -43.1 45.19 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.822 1.649 . . . . 10.0 110.645 176.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 27.3 ttmt -49.11 -37.09 20.54 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 127.993 2.517 . . . . 10.0 114.309 178.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 52.1 p -77.68 -13.1 60.0 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 114.495 1.295 . . . . 10.0 114.495 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 94.5 mt -71.03 151.5 94.93 Favored Pre-proline 0 CA--C 1.548 0.901 0 CA-C-N 119.592 1.087 . . . . 10.0 111.446 177.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -53.67 132.18 47.83 Favored 'Trans proline' 0 C--N 1.351 0.706 0 C-N-CA 123.323 2.682 . . . . 10.0 112.993 178.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -55.27 -43.64 74.91 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.975 0.91 . . . . 10.0 112.746 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -63.59 -37.99 89.41 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.931 0.892 . . . . 10.0 112.45 178.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -69.36 -45.1 70.18 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 121.256 -0.902 . . . . 10.0 110.982 177.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 62.5 t -59.39 -48.77 85.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 123.858 0.863 . . . . 10.0 110.076 176.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -62.15 -39.75 93.68 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.804 0.842 . . . . 10.0 112.441 177.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.4 t -59.88 -45.67 91.75 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.017 0.927 . . . . 10.0 112.077 178.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 75.1 mt -63.46 -44.96 99.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 O-C-N 121.672 -0.643 . . . . 10.0 110.557 177.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 92.5 mt -60.13 -38.7 83.86 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.363 -0.836 . . . . 10.0 111.813 176.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.57 -10.21 33.33 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 114.799 1.407 . . . . 10.0 114.799 178.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -124.77 -12.79 7.07 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 115.061 1.504 . . . . 10.0 115.061 179.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -143.59 -13.83 0.67 Allowed 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 115.676 1.732 . . . . 10.0 115.676 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 71.89 -3.42 20.3 Favored Glycine 0 CA--C 1.539 1.589 0 N-CA-C 116.404 1.322 . . . . 10.0 116.404 178.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -151.42 163.09 39.75 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 119.172 1.486 . . . . 10.0 113.25 179.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.6 mt -138.12 136.24 44.81 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 C-N-CA 127.279 2.232 . . . . 10.0 108.821 -178.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -104.69 132.18 51.24 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.195 0.998 . . . . 10.0 108.858 174.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 90.8 mmm -131.06 153.79 48.93 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 125.848 1.659 . . . . 10.0 110.637 -176.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 19.9 p-80 -128.63 142.01 51.17 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 123.686 0.795 . . . . 10.0 112.641 179.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 87.7 m -64.22 109.03 1.73 Allowed 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 125.845 1.658 . . . . 10.0 110.9 177.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -62.05 -23.1 66.27 Favored 'General case' 0 CA--C 1.553 1.063 0 CA-C-O 122.171 0.986 . . . . 10.0 110.663 172.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -66.56 -43.46 84.99 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 129.776 3.231 . . . . 10.0 114.95 179.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 31.8 p -141.5 -14.74 0.85 Allowed 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 117.759 2.503 . . . . 10.0 117.759 -173.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 96.31 -3.05 63.63 Favored Glycine 0 CA--C 1.539 1.541 0 C-N-CA 124.728 1.156 . . . . 10.0 115.797 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -66.42 165.61 13.97 Favored 'General case' 0 CA--C 1.553 1.086 0 CA-C-N 119.372 1.586 . . . . 10.0 111.379 177.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -124.71 153.73 41.91 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.441 1.497 . . . . 10.0 112.373 -179.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -151.19 148.05 27.76 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 126.313 1.845 . . . . 10.0 108.557 177.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.4 pp -114.14 142.61 46.01 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 123.56 0.744 . . . . 10.0 110.598 178.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -129.38 138.44 51.52 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 125.46 1.504 . . . . 10.0 109.909 -177.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.6 m-80 -107.03 174.82 5.72 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.587 1.555 . . . . 10.0 111.248 -176.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.18 -37.49 67.12 Favored 'General case' 0 CA--C 1.547 0.845 0 O-C-N 120.981 -1.074 . . . . 10.0 111.961 177.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 24.6 ptp -64.9 -37.26 87.05 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.084 0.953 . . . . 10.0 112.634 174.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -65.99 -47.79 73.35 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 121.269 -0.894 . . . . 10.0 110.487 176.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.8 mp -59.96 -40.22 82.38 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 C-N-CA 123.52 0.728 . . . . 10.0 110.387 176.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.96 -37.73 80.44 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.567 0.747 . . . . 10.0 111.997 176.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -73.56 -41.05 63.44 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 121.052 -1.03 . . . . 10.0 111.36 174.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 63.7 mt -60.54 -43.96 95.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 124.04 0.936 . . . . 10.0 111.408 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -66.02 -31.47 72.38 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-N 119.781 1.173 . . . . 10.0 113.277 178.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 51.6 m-80 -81.97 1.78 33.85 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 124.656 1.183 . . . . 10.0 113.346 175.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -120.91 -27.13 5.06 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.859 1.664 . . . . 10.0 112.297 178.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.62 -9.94 58.13 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 125.592 1.557 . . . . 10.0 114.123 176.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.0 m . . . . . 0 C--O 1.252 1.204 0 C-N-CA 127.998 2.519 . . . . 10.0 114.779 -179.189 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.574 0.225 . . . . 10.0 111.322 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -146.65 137.17 23.84 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.135 1.374 . . . . 10.0 110.776 178.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.8 p -156.06 150.6 10.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 124.895 1.278 . . . . 10.0 111.275 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.56 166.63 29.67 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.216 1.806 . . . . 10.0 109.829 178.244 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -125.61 20.12 7.92 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 125.638 1.575 . . . . 10.0 112.802 -177.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -24.77 112.84 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 130.702 3.601 . . . . 10.0 115.78 -178.12 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.424 ' CB ' HD21 ' A' ' 45' ' ' ASN . 4.7 t -72.01 171.56 11.63 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 126.92 2.088 . . . . 10.0 112.81 176.53 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 27.3 p -77.74 -15.26 59.25 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.133 0.973 . . . . 10.0 112.246 175.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 22.1 p -90.5 177.2 6.44 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 125.462 1.505 . . . . 10.0 112.65 177.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.9 m -73.13 136.85 44.89 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 114.14 1.163 . . . . 10.0 114.14 -178.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 39.7 ttt180 -55.19 -39.84 70.06 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 125.951 1.701 . . . . 10.0 112.146 175.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -55.05 -45.51 75.27 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.809 1.644 . . . . 10.0 112.469 -179.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -60.24 -43.34 96.18 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.056 0.942 . . . . 10.0 112.374 178.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 12.2 t -72.71 -41.46 65.22 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-O 121.084 0.469 . . . . 10.0 111.935 176.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.35 -39.97 92.55 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.966 0.906 . . . . 10.0 111.966 178.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -57.81 -40.34 79.74 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.093 0.957 . . . . 10.0 112.335 177.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.5 -33.92 74.62 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 123.777 0.831 . . . . 10.0 112.471 176.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.4 tp -76.67 -45.34 30.11 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 125.054 1.342 . . . . 10.0 109.978 174.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.98 -32.52 54.25 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 126.859 2.064 . . . . 10.0 115.627 -178.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 37.3 p -68.81 -19.72 64.29 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 113.848 1.055 . . . . 10.0 113.848 178.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 87.9 mt -72.02 149.48 92.28 Favored Pre-proline 0 CA--C 1.549 0.93 0 C-N-CA 123.924 0.89 . . . . 10.0 110.743 176.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -54.16 136.53 68.14 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 122.913 2.409 . . . . 10.0 112.296 178.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -56.82 -41.38 77.72 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 112.805 0.669 . . . . 10.0 112.805 -179.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -61.57 -38.72 88.55 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.754 0.822 . . . . 10.0 112.324 177.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -67.76 -45.64 74.33 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 121.554 -0.716 . . . . 10.0 110.585 177.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 72.7 t -60.7 -47.87 91.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 123.983 0.913 . . . . 10.0 110.728 177.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -64.03 -34.8 78.83 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.568 0.747 . . . . 10.0 112.93 179.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 31.3 p -60.47 -35.7 76.5 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 112.964 0.728 . . . . 10.0 112.964 178.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 62.7 mt -68.71 -44.09 82.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 C-N-CA 123.5 0.72 . . . . 10.0 109.676 176.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 87.0 mt -61.83 -33.78 74.76 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 121.165 -0.96 . . . . 10.0 111.677 176.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.92 -5.71 49.59 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 124.967 1.307 . . . . 10.0 114.333 176.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -126.37 -29.82 2.93 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 114.38 1.252 . . . . 10.0 114.38 -176.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -128.19 -19.06 3.98 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.954 1.701 . . . . 10.0 113.899 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 79.26 -5.51 59.51 Favored Glycine 0 CA--C 1.537 1.415 0 N-CA-C 115.887 1.115 . . . . 10.0 115.887 178.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -154.14 161.13 42.08 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.831 1.252 . . . . 10.0 112.375 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 79.2 mt -129.79 136.85 58.11 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 C-N-CA 127.336 2.254 . . . . 10.0 109.057 -179.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -113.48 132.36 55.7 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.643 1.577 . . . . 10.0 109.269 177.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 22.7 mmt -136.01 149.01 48.66 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.048 1.339 . . . . 10.0 111.218 -179.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -94.96 137.64 33.75 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.107 0.963 . . . . 10.0 110.977 177.105 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 51.1 t -77.07 92.06 3.72 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 126.017 1.727 . . . . 10.0 109.288 177.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -60.76 -20.85 62.23 Favored 'General case' 0 CA--C 1.549 0.908 0 O-C-N 121.139 -0.976 . . . . 10.0 112.813 179.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -74.77 -41.23 60.43 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.771 2.028 . . . . 10.0 114.294 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.8 m -123.43 -19.07 6.01 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 115.916 1.821 . . . . 10.0 115.916 -174.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 97.26 -0.17 60.01 Favored Glycine 0 CA--C 1.541 1.707 0 C-N-CA 125.592 1.568 . . . . 10.0 114.128 -177.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.424 HD21 ' CB ' ' A' ' 7' ' ' CYS . 63.5 t30 -79.2 -164.96 0.69 Allowed 'General case' 0 CA--C 1.558 1.254 0 C-N-CA 126.825 2.05 . . . . 10.0 112.86 179.704 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.406 ' H ' ' CG ' ' A' ' 45' ' ' ASN . 2.0 m-70 -133.82 163.71 28.87 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 127.419 2.288 . . . . 10.0 111.065 177.543 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -147.06 142.89 27.91 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 126.849 2.06 . . . . 10.0 107.795 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 91.1 mt -114.63 141.76 47.36 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.169 0.988 . . . . 10.0 110.05 177.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -135.4 141.76 45.54 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.257 1.023 . . . . 10.0 112.002 -178.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -126.6 172.83 9.93 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 126.488 1.915 . . . . 10.0 109.796 176.247 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.21 -40.1 70.41 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.622 1.169 . . . . 10.0 113.222 179.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 5.0 ppp? -65.84 -37.35 85.97 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 118.978 0.808 . . . . 10.0 112.651 177.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -72.21 -46.88 54.38 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.334 1.054 . . . . 10.0 110.769 177.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 65.7 mt -60.4 -33.14 53.02 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 C-N-CA 126.322 1.849 . . . . 10.0 111.696 178.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.83 -34.48 67.79 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 118.634 0.652 . . . . 10.0 111.894 174.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 65.5 mt-10 -73.83 -44.41 55.76 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 121.391 -0.818 . . . . 10.0 110.526 174.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 96.4 mt -58.23 -36.94 59.95 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 125.064 1.345 . . . . 10.0 111.438 178.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 82.5 mtt180 -65.95 -16.27 63.73 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 126.274 1.83 . . . . 10.0 112.735 175.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 66.1 m-80 -120.23 25.26 9.97 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 127.805 2.442 . . . . 10.0 110.899 177.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 63.8 t30 47.66 34.7 3.84 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 127.661 2.384 . . . . 10.0 114.379 -179.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 50.25 33.39 7.25 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 126.631 1.972 . . . . 10.0 114.505 -177.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 68.3 m . . . . . 0 C--O 1.254 1.298 0 C-N-CA 126.212 1.805 . . . . 10.0 113.772 179.974 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.9 ptt? . . . . . 0 N--CA 1.488 1.44 0 CA-C-O 120.513 0.197 . . . . 10.0 111.413 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -144.77 139.22 27.69 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.306 1.443 . . . . 10.0 110.823 179.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.2 p -156.03 152.12 8.82 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 125.292 1.437 . . . . 10.0 110.972 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -149.98 134.12 17.13 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.114 1.366 . . . . 10.0 110.368 179.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 37.7 p90 -72.15 153.18 41.8 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.584 0.754 . . . . 10.0 111.675 177.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -135.35 155.81 49.97 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.917 1.687 . . . . 10.0 110.804 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -69.29 151.0 46.76 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.456 1.502 . . . . 10.0 111.875 178.413 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 76.3 p -89.82 -10.47 45.3 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 121.749 -0.594 . . . . 10.0 112.051 174.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 26.3 p -123.86 -119.04 0.28 Allowed 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 127.689 2.396 . . . . 10.0 110.78 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.0 m -160.66 164.15 31.97 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 125.068 1.347 . . . . 10.0 113.834 -178.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 58.7 ttt85 -54.83 -33.28 61.46 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 126.341 1.856 . . . . 10.0 113.072 178.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -56.26 -38.23 70.86 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.863 1.265 . . . . 10.0 112.526 -179.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 64.0 mtp85 -68.13 -41.27 81.92 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 121.684 -0.635 . . . . 10.0 111.421 176.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 8.2 t -66.53 -39.94 88.86 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.439 0.696 . . . . 10.0 111.202 176.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.16 -44.29 95.92 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.794 1.238 . . . . 10.0 110.913 176.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -59.55 -41.57 90.4 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.878 0.871 . . . . 10.0 111.621 176.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.68 -34.23 77.73 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 112.821 0.675 . . . . 10.0 112.821 176.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 19.4 tp -77.94 -46.24 21.73 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.748 1.219 . . . . 10.0 112.099 177.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.9 pttp -65.67 -24.54 67.03 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 114.876 1.435 . . . . 10.0 114.876 -177.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.5 p -78.32 -11.91 59.97 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.004 0.922 . . . . 10.0 113.299 178.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 91.9 mt -73.58 158.95 85.68 Favored Pre-proline 0 CA--C 1.55 0.946 0 C-N-CA 124.533 1.133 . . . . 10.0 110.286 173.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -52.09 123.92 13.61 Favored 'Trans proline' 0 CA--C 1.538 0.702 0 C-N-CA 123.14 2.56 . . . . 10.0 111.709 176.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -55.45 -40.56 71.72 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 113.194 0.813 . . . . 10.0 113.194 -177.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -62.35 -35.91 80.58 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.936 0.894 . . . . 10.0 112.77 177.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -68.41 -41.54 80.28 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 121.211 -0.931 . . . . 10.0 110.628 177.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 96.1 t -64.26 -47.97 87.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 124.19 0.996 . . . . 10.0 109.722 175.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -61.34 -35.53 77.66 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.231 1.012 . . . . 10.0 113.035 178.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 74.1 m -59.88 -39.7 86.17 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.609 0.764 . . . . 10.0 112.31 178.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 53.9 mt -68.75 -44.81 81.92 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 CA-C-N 118.521 0.6 . . . . 10.0 109.783 176.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 98.4 mt -59.53 -37.69 79.04 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.472 -0.767 . . . . 10.0 111.947 177.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.16 -8.71 48.09 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 124.897 1.279 . . . . 10.0 114.421 177.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -125.28 -20.67 4.77 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 114.68 1.363 . . . . 10.0 114.68 -179.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -138.68 -13.87 1.26 Allowed 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 115.174 1.546 . . . . 10.0 115.174 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 75.65 -7.54 25.67 Favored Glycine 0 CA--C 1.539 1.544 0 N-CA-C 116.411 1.324 . . . . 10.0 116.411 178.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -151.44 160.74 43.58 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 119.109 1.454 . . . . 10.0 113.811 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 66.6 mt -138.65 125.73 26.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 C-N-CA 127.128 2.171 . . . . 10.0 109.681 -177.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -92.94 115.92 28.57 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 107.671 -1.233 . . . . 10.0 107.671 173.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 16.9 tpt -107.42 144.6 34.1 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.588 1.155 . . . . 10.0 111.673 -176.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 31.7 t-80 -94.82 132.67 39.37 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.732 1.213 . . . . 10.0 111.896 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 8.9 t -80.9 75.09 7.86 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 126.087 1.755 . . . . 10.0 109.098 176.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -52.57 -21.12 3.52 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 114.623 1.342 . . . . 10.0 114.623 -177.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -66.14 -36.25 82.64 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.943 1.697 . . . . 10.0 114.513 177.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 26.5 p -137.84 -20.93 1.13 Allowed 'General case' 0 CA--C 1.55 0.947 0 N-CA-C 116.847 2.165 . . . . 10.0 116.847 -179.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.82 -4.03 16.94 Favored Glycine 0 CA--C 1.536 1.355 0 CA-C-N 120.176 1.353 . . . . 10.0 116.285 175.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -75.03 -174.09 2.15 Favored 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 124.517 1.127 . . . . 10.0 111.751 178.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 3.8 p80 -143.64 160.91 39.84 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 120.355 -1.466 . . . . 10.0 111.105 176.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -148.99 136.24 20.1 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 125.356 1.463 . . . . 10.0 108.531 -179.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 62.2 tp -95.8 140.94 29.86 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.72 0.808 . . . . 10.0 109.837 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -132.95 141.97 48.62 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 125.864 1.666 . . . . 10.0 109.647 -179.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 25.8 p30 -121.94 174.17 7.06 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.31 1.044 . . . . 10.0 111.513 177.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.52 -38.5 69.32 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 113.691 0.997 . . . . 10.0 113.691 -179.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 21.1 mmt -70.36 -39.51 74.59 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.322 0.649 . . . . 10.0 112.112 179.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -71.88 -42.26 67.03 Favored 'General case' 0 N--CA 1.469 0.502 0 O-C-N 121.517 -0.739 . . . . 10.0 111.589 178.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 71.4 mt -64.48 -33.81 65.4 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 C-N-CA 124.508 1.123 . . . . 10.0 110.517 176.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.09 -35.03 77.44 Favored 'General case' 0 CA--C 1.544 0.748 0 O-C-N 121.658 -0.651 . . . . 10.0 111.933 175.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -73.57 -40.78 63.66 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 121.5 -0.75 . . . . 10.0 110.693 174.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 74.8 mt -58.09 -42.5 83.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 O-C-N 120.764 -1.21 . . . . 10.0 109.932 176.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 74.6 mtt180 -61.41 -17.22 53.2 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 127.014 2.126 . . . . 10.0 115.408 176.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 36.4 p30 -132.97 -0.25 3.41 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 115.955 1.835 . . . . 10.0 115.955 -178.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -133.12 -13.07 2.79 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.45 1.5 . . . . 10.0 113.69 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -126.32 -1.06 6.97 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 113.884 1.068 . . . . 10.0 113.884 178.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 37.5 m . . . . . 0 C--O 1.253 1.239 0 C-N-CA 127.289 2.236 . . . . 10.0 111.593 178.781 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 93.7 mtp . . . . . 0 N--CA 1.487 1.406 0 N-CA-C 110.09 -0.337 . . . . 10.0 110.09 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -152.09 138.86 18.86 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.788 1.235 . . . . 10.0 111.205 179.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 13.6 p -156.61 144.85 11.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 125.042 1.337 . . . . 10.0 110.979 178.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -82.81 85.89 7.0 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.736 1.214 . . . . 10.0 110.482 178.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -58.84 143.76 46.45 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 114.692 1.367 . . . . 10.0 114.692 -176.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 69.2 mmtt -146.86 149.68 33.76 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 128.592 2.757 . . . . 10.0 107.941 177.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.6 t -69.62 158.88 34.46 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-O 122.045 0.926 . . . . 10.0 113.272 177.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.1 t -67.23 -32.7 73.91 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 125.378 1.471 . . . . 10.0 111.749 175.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 31.2 p -85.67 169.09 13.8 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 123.553 0.741 . . . . 10.0 111.379 175.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.0 t -49.73 120.69 4.46 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 116.812 2.153 . . . . 10.0 116.812 -171.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.53 -32.55 72.6 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 127.101 2.161 . . . . 10.0 111.229 173.202 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -59.92 -38.32 82.0 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.201 1.0 . . . . 10.0 112.349 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 85.6 mtt-85 -64.23 -45.56 87.66 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.383 0.673 . . . . 10.0 111.478 178.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 21.4 t -66.48 -40.44 89.31 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 122.833 0.453 . . . . 10.0 112.09 175.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.15 -40.92 95.65 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.476 0.71 . . . . 10.0 111.126 178.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -61.0 -38.83 87.45 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.453 -0.779 . . . . 10.0 112.041 175.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.24 -34.09 77.54 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 123.519 0.728 . . . . 10.0 112.187 176.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.2 tp -72.46 -40.21 67.18 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.259 1.424 . . . . 10.0 109.719 174.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.4 ttpp -55.99 -17.22 6.21 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 126.917 2.087 . . . . 10.0 116.214 178.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 76.9 p -110.64 -2.82 16.18 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.748 1.219 . . . . 10.0 114.144 -177.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 90.1 mt -64.07 147.83 96.07 Favored Pre-proline 0 CA--C 1.549 0.926 0 CA-C-O 118.216 -0.897 . . . . 10.0 110.679 175.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -51.24 127.57 22.48 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 123.256 2.638 . . . . 10.0 112.284 179.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -59.74 -37.41 78.89 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 113.327 0.862 . . . . 10.0 113.327 -177.102 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -66.64 -38.77 87.6 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.605 0.762 . . . . 10.0 111.763 176.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -66.58 -45.85 77.9 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.325 -0.859 . . . . 10.0 110.388 176.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 47.0 t -59.23 -45.34 93.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 123.898 0.879 . . . . 10.0 110.322 175.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -60.01 -42.55 94.55 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.419 0.688 . . . . 10.0 112.202 177.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 42.5 m -61.04 -43.26 99.15 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 118.835 0.743 . . . . 10.0 111.911 176.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 79.5 mt -63.48 -46.9 93.91 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 CA-C-N 118.743 0.701 . . . . 10.0 110.075 176.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 63.4 mt -61.17 -33.36 73.31 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 121.176 -0.953 . . . . 10.0 112.746 177.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -74.68 -10.14 59.24 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 114.634 1.346 . . . . 10.0 114.634 177.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -126.51 -25.09 3.49 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 114.821 1.415 . . . . 10.0 114.821 -178.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -129.41 -23.92 2.87 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.286 1.435 . . . . 10.0 113.793 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 68.47 4.98 41.1 Favored Glycine 0 CA--C 1.539 1.564 0 N-CA-C 116.038 1.175 . . . . 10.0 116.038 178.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -151.09 161.6 42.43 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 126.263 1.825 . . . . 10.0 110.211 -179.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 97.2 mt -129.07 136.5 59.49 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 C-N-CA 125.532 1.533 . . . . 10.0 110.599 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -102.63 127.77 49.59 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.885 1.674 . . . . 10.0 106.949 171.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 9.9 tpt -129.16 143.43 50.85 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 124.161 0.984 . . . . 10.0 110.967 -176.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -94.35 139.88 30.52 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.174 0.99 . . . . 10.0 112.156 -177.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 13.3 t -85.04 84.06 7.84 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 126.069 1.748 . . . . 10.0 110.112 177.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -59.74 -13.83 11.81 Favored 'General case' 0 CA--C 1.551 0.992 0 O-C-N 120.947 -1.096 . . . . 10.0 113.937 179.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -70.91 -37.82 72.96 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.927 1.691 . . . . 10.0 113.908 177.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 22.3 p -144.89 -8.79 0.62 Allowed 'General case' 0 CA--C 1.553 1.074 0 N-CA-C 117.124 2.268 . . . . 10.0 117.124 -178.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 108.62 -3.0 32.34 Favored Glycine 0 CA--C 1.537 1.442 0 N-CA-C 116.362 1.305 . . . . 10.0 116.362 175.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -77.09 -168.32 1.06 Allowed 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 125.132 1.373 . . . . 10.0 112.965 178.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -141.07 164.11 31.17 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 126.486 1.914 . . . . 10.0 112.354 -177.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -145.21 146.57 31.78 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 125.835 1.654 . . . . 10.0 108.279 178.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 92.5 mt -114.41 140.15 48.92 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.071 0.548 . . . . 10.0 109.567 176.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -135.8 127.46 28.99 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.633 1.173 . . . . 10.0 110.326 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -88.55 170.09 11.17 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.642 0.777 . . . . 10.0 110.786 178.336 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.74 -42.73 68.48 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.188 -0.945 . . . . 10.0 113.395 -178.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.7 -36.95 81.59 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 112.679 0.622 . . . . 10.0 112.679 176.513 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -68.09 -45.5 73.58 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.116 0.966 . . . . 10.0 110.313 178.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 57.0 mt -59.3 -41.14 83.22 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 C-N-CA 125.353 1.461 . . . . 10.0 109.931 175.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.28 -45.95 90.99 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 112.889 0.7 . . . . 10.0 112.889 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -70.05 -36.46 75.02 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 119.676 1.125 . . . . 10.0 111.598 177.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 54.3 mt -62.37 -46.57 96.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 O-C-N 121.485 -0.76 . . . . 10.0 110.519 176.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.3 ttm180 -72.91 -27.45 61.88 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 115.096 1.517 . . . . 10.0 115.096 -177.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 62.7 m-80 -106.37 -8.18 17.32 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 116.223 1.934 . . . . 10.0 116.223 -177.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 21.3 t30 -149.44 -21.64 0.28 Allowed 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 115.301 1.593 . . . . 10.0 115.301 179.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 55.67 12.47 0.82 Allowed 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 126.761 2.024 . . . . 10.0 116.109 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 62.9 p . . . . . 0 C--O 1.254 1.319 0 C-N-CA 127.373 2.269 . . . . 10.0 112.312 179.57 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.486 1.356 0 N-CA-C 110.137 -0.32 . . . . 10.0 110.137 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -67.51 166.7 14.25 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 124.211 1.004 . . . . 10.0 112.913 179.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 29.7 m -131.39 167.11 26.99 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 125.964 1.706 . . . . 10.0 112.298 -179.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -134.27 32.26 3.42 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.03 1.332 . . . . 10.0 111.981 -177.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 33.4 p90 -151.15 161.44 42.72 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.958 1.703 . . . . 10.0 112.165 -178.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.11 176.12 13.08 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 127.161 2.185 . . . . 10.0 110.597 177.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 37.1 t -57.12 140.12 50.36 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.754 1.222 . . . . 10.0 113.939 -178.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 62.6 p -123.52 -12.72 7.69 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.38 1.472 . . . . 10.0 114.111 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 24.3 p -100.1 -10.01 21.97 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 125.363 1.465 . . . . 10.0 113.828 179.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 24.9 m 63.66 177.54 0.16 Allowed 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 127.385 2.274 . . . . 10.0 115.481 178.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.3 ttp180 -54.93 -30.21 58.07 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.502 1.521 . . . . 10.0 114.165 -177.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -55.03 -39.83 69.56 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.552 1.141 . . . . 10.0 113.295 -178.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.3 mmm180 -70.35 -37.11 74.58 Favored 'General case' 0 N--CA 1.478 0.972 0 O-C-N 121.117 -0.989 . . . . 10.0 112.147 175.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 7.1 t -67.43 -38.06 83.98 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 123.961 0.904 . . . . 10.0 111.329 176.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.06 -47.32 85.21 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.355 1.462 . . . . 10.0 111.088 176.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -60.59 -35.8 77.0 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.075 0.95 . . . . 10.0 111.87 177.031 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.71 -33.82 69.07 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 113.056 0.762 . . . . 10.0 113.056 176.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.4 tp -76.43 -46.05 28.8 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.525 1.13 . . . . 10.0 111.83 178.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.64 -22.28 66.93 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 115.724 1.749 . . . . 10.0 115.724 -176.443 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.6 p -77.6 -12.25 59.95 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 113.594 0.961 . . . . 10.0 113.594 177.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 91.0 mt -65.95 156.38 84.06 Favored Pre-proline 0 CA--C 1.552 1.035 0 CA-C-N 119.235 0.925 . . . . 10.0 111.201 176.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -49.44 132.4 29.55 Favored 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 123.755 2.97 . . . . 10.0 114.083 -179.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -54.99 -44.83 74.83 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.378 1.071 . . . . 10.0 113.211 -178.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -66.41 -39.45 88.98 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.617 0.767 . . . . 10.0 112.169 178.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -64.36 -45.12 89.17 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 121.557 -0.714 . . . . 10.0 111.062 177.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 53.7 t -62.97 -47.79 91.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 123.854 0.862 . . . . 10.0 110.448 176.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -57.62 -40.56 79.45 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.025 0.93 . . . . 10.0 113.335 179.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 41.8 m -59.55 -41.5 90.25 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 118.879 0.763 . . . . 10.0 112.873 179.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.9 mm -67.85 -44.53 85.33 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 CA-C-N 119.147 0.885 . . . . 10.0 110.561 177.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 83.6 mt -63.33 -30.7 71.79 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 121.282 -0.886 . . . . 10.0 112.586 178.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.58 -9.29 58.45 Favored 'General case' 0 CA--C 1.55 0.965 0 N-CA-C 114.439 1.274 . . . . 10.0 114.439 176.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -127.58 -26.94 2.92 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 114.794 1.405 . . . . 10.0 114.794 -178.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -129.1 -23.2 3.05 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.368 1.467 . . . . 10.0 113.824 -179.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 75.13 2.06 65.27 Favored Glycine 0 CA--C 1.538 1.481 0 N-CA-C 116.031 1.173 . . . . 10.0 116.031 178.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -151.08 154.53 37.15 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 118.753 1.276 . . . . 10.0 113.928 -179.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 65.1 mt -138.09 136.21 44.89 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 C-N-CA 126.632 1.973 . . . . 10.0 109.054 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -105.82 137.67 43.3 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.022 1.329 . . . . 10.0 108.732 175.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 14.7 tpt -132.67 151.04 52.07 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.288 1.035 . . . . 10.0 111.3 -177.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 22.3 t60 -95.06 133.62 38.65 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.087 1.355 . . . . 10.0 113.605 -176.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 48.1 t -83.4 76.76 9.89 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 126.298 1.839 . . . . 10.0 108.445 172.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -62.22 -16.83 55.91 Favored 'General case' 0 CA--C 1.549 0.915 0 O-C-N 121.257 -0.902 . . . . 10.0 112.489 178.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -64.29 -39.83 94.73 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 127.184 2.194 . . . . 10.0 113.1 176.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 34.1 m -124.23 -35.95 2.73 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 115.138 1.532 . . . . 10.0 115.138 -175.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 110.22 46.69 0.86 Allowed Glycine 0 CA--C 1.535 1.289 0 C-N-CA 124.278 0.942 . . . . 10.0 112.467 -178.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -136.88 -172.0 3.07 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 126.053 1.741 . . . . 10.0 110.735 -176.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.4 p80 -144.98 162.58 36.55 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 120.674 -1.266 . . . . 10.0 110.754 176.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -147.82 142.81 26.97 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 124.948 1.299 . . . . 10.0 108.927 -178.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 57.9 tp -105.96 142.1 36.24 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.719 1.208 . . . . 10.0 110.417 -177.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -135.87 150.44 49.37 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.266 1.427 . . . . 10.0 111.214 -178.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -121.16 174.04 6.93 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.955 1.302 . . . . 10.0 109.882 177.012 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.41 -38.79 69.39 Favored 'General case' 0 CA--C 1.545 0.756 0 O-C-N 121.679 -0.638 . . . . 10.0 112.634 179.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -65.73 -40.32 92.04 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.66 1.184 . . . . 10.0 112.096 178.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -67.81 -47.91 67.75 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.662 0.785 . . . . 10.0 110.302 177.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 69.0 mt -59.75 -39.5 79.96 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 C-N-CA 125.277 1.431 . . . . 10.0 110.911 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.81 -40.06 87.15 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.281 0.633 . . . . 10.0 112.373 176.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -73.38 -41.92 62.8 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 121.442 -0.786 . . . . 10.0 111.099 176.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 57.0 mt -58.57 -42.76 85.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 124.291 1.036 . . . . 10.0 110.645 177.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 51.4 mtp85 -63.61 -13.61 43.76 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 125.658 1.583 . . . . 10.0 113.8 176.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 64.9 m-80 -119.18 13.44 12.86 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 126.477 1.911 . . . . 10.0 112.587 178.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -138.21 -36.99 0.58 Allowed 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.898 1.279 . . . . 10.0 113.29 -179.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.61 1.41 56.8 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 124.802 1.241 . . . . 10.0 113.034 177.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 68.5 m . . . . . 0 C--O 1.253 1.289 0 C-N-CA 127.281 2.233 . . . . 10.0 111.694 -179.172 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.1 tpt . . . . . 0 N--CA 1.487 1.389 0 N-CA-C 109.952 -0.388 . . . . 10.0 109.952 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -132.28 19.49 4.42 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 114.613 1.338 . . . . 10.0 114.613 -176.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 13.8 p -148.89 151.95 12.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 125.867 1.667 . . . . 10.0 110.359 179.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -103.34 25.05 10.05 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.17 1.388 . . . . 10.0 113.71 -176.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -153.35 141.64 20.56 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.861 1.664 . . . . 10.0 111.419 178.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.402 ' HE3' ' CE1' ' A' ' 47' ' ' TYR . 23.1 tptt -160.91 -176.97 5.82 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 126.032 1.733 . . . . 10.0 110.275 175.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.2 t -50.08 145.89 5.39 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 126.829 2.051 . . . . 10.0 114.485 -179.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.1 p -81.42 -15.89 53.75 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 114.019 1.118 . . . . 10.0 114.019 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 23.5 p -112.57 -90.69 0.5 Allowed 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.415 1.486 . . . . 10.0 111.92 179.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 46.9 t -164.33 155.06 15.09 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.919 1.288 . . . . 10.0 113.63 -179.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 41.9 ttt-85 -55.5 -30.95 61.58 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.877 1.671 . . . . 10.0 111.476 172.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -57.54 -35.97 71.0 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.369 1.468 . . . . 10.0 112.741 177.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.5 mmt180 -67.87 -45.28 74.95 Favored 'General case' 0 N--CA 1.477 0.877 0 O-C-N 121.336 -0.852 . . . . 10.0 110.813 176.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 20.4 t -62.32 -39.59 93.54 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.189 0.996 . . . . 10.0 111.59 174.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.84 -42.73 99.4 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.469 1.108 . . . . 10.0 111.368 176.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -64.54 -36.16 83.32 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.484 -0.76 . . . . 10.0 111.319 175.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.69 -40.12 88.39 Favored 'General case' 0 CA--C 1.546 0.803 0 O-C-N 121.695 -0.628 . . . . 10.0 111.448 175.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.8 tp -61.3 -43.85 98.18 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.554 1.541 . . . . 10.0 110.128 175.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.0 tmtm? -52.52 -22.0 4.4 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.996 1.718 . . . . 10.0 115.375 177.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 46.6 p -66.19 -23.37 66.44 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 113.292 0.849 . . . . 10.0 113.292 177.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 81.0 mt -71.4 148.27 93.29 Favored Pre-proline 0 CA--C 1.551 0.983 0 C-N-CA 124.332 1.053 . . . . 10.0 111.574 178.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -55.31 140.58 81.9 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 123.454 2.769 . . . . 10.0 113.218 178.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -55.69 -44.92 77.81 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.616 0.766 . . . . 10.0 112.996 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -66.28 -36.2 82.35 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.627 0.771 . . . . 10.0 112.244 178.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -69.4 -46.19 67.46 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.611 -0.681 . . . . 10.0 110.704 177.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 50.4 t -58.78 -48.54 85.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 124.48 1.112 . . . . 10.0 110.213 176.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -62.14 -35.44 78.77 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.636 0.774 . . . . 10.0 112.529 178.101 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 73.4 m -61.77 -39.16 90.69 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.519 0.728 . . . . 10.0 112.875 178.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.1 mm -67.97 -42.39 85.44 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 CA-C-N 119.401 1.001 . . . . 10.0 110.411 177.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 96.9 mt -61.21 -37.92 84.74 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 121.411 -0.805 . . . . 10.0 111.473 176.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.88 -9.24 50.53 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 124.818 1.247 . . . . 10.0 114.252 176.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -121.78 -28.12 4.56 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.718 1.207 . . . . 10.0 114.129 -175.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -137.98 -12.65 1.46 Allowed 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 114.95 1.463 . . . . 10.0 114.95 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.55 -3.93 52.67 Favored Glycine 0 CA--C 1.537 1.465 0 N-CA-C 116.133 1.213 . . . . 10.0 116.133 178.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -150.71 160.43 43.85 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 118.973 1.387 . . . . 10.0 113.137 -179.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 58.2 mt -135.62 136.59 50.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 C-N-CA 126.23 1.812 . . . . 10.0 110.381 -176.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -99.98 127.5 46.18 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.058 1.343 . . . . 10.0 109.851 175.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 12.9 tpt -137.44 157.11 47.28 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.88 1.272 . . . . 10.0 111.458 178.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 21.2 p-80 -117.51 141.89 47.82 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.09 1.356 . . . . 10.0 111.672 178.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 51.9 t -58.46 128.09 35.44 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.019 1.328 . . . . 10.0 111.453 179.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -67.48 -15.07 63.47 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 123.636 0.774 . . . . 10.0 113.069 178.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -102.36 -38.89 7.42 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.781 1.633 . . . . 10.0 113.57 -177.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 19.6 m -115.56 -16.35 11.34 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 116.003 1.853 . . . . 10.0 116.003 -174.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 75.8 -4.9 42.44 Favored Glycine 0 CA--C 1.541 1.712 0 C-N-CA 124.13 0.871 . . . . 10.0 114.285 -175.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -64.25 133.31 52.53 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.298 1.439 . . . . 10.0 111.387 178.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 11.2 p-80 -84.44 150.07 25.55 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.761 1.023 . . . . 10.0 113.761 179.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.402 ' CE1' ' HE3' ' A' ' 6' ' ' LYS . 33.2 m-85 -145.18 157.82 43.98 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 127.614 2.366 . . . . 10.0 107.939 177.538 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -114.47 142.26 46.62 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.093 0.957 . . . . 10.0 109.974 176.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -128.51 145.47 51.11 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 125.021 1.328 . . . . 10.0 110.744 -177.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 -113.75 171.49 7.55 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.416 1.486 . . . . 10.0 111.459 -175.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.27 -36.3 65.94 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 121.111 -0.993 . . . . 10.0 112.476 177.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 26.0 mmt -65.81 -37.57 86.62 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.149 0.979 . . . . 10.0 112.161 175.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -67.3 -48.15 68.47 Favored 'General case' 0 CA--C 1.534 0.362 0 O-C-N 121.456 -0.777 . . . . 10.0 110.654 177.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.8 mp -59.9 -41.2 85.1 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.481 0 C-N-CA 123.553 0.741 . . . . 10.0 110.272 177.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.06 -39.9 87.62 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.207 0.603 . . . . 10.0 112.159 177.028 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -72.07 -42.7 65.91 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.528 -0.733 . . . . 10.0 111.287 176.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 64.3 mt -58.71 -43.18 87.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 124.361 1.064 . . . . 10.0 110.964 178.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 66.7 mtm180 -69.41 -12.91 62.05 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 125.376 1.47 . . . . 10.0 114.167 177.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -111.14 10.75 21.92 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 126.236 1.814 . . . . 10.0 111.949 176.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -126.14 -37.88 2.2 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.948 1.699 . . . . 10.0 111.551 178.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.19 161.8 29.58 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 123.705 0.802 . . . . 10.0 112.453 176.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 72.9 p . . . . . 0 C--O 1.254 1.316 0 C-N-CA 125.985 1.714 . . . . 10.0 113.588 179.296 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 77.6 mtp . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 120.489 0.185 . . . . 10.0 110.78 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -129.65 27.23 5.26 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 125.473 1.509 . . . . 10.0 112.726 -177.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.5 m -61.17 157.82 2.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 125.54 1.536 . . . . 10.0 113.767 -179.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -78.25 64.78 3.46 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.075 1.35 . . . . 10.0 110.809 176.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -54.08 141.84 27.28 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.004 1.322 . . . . 10.0 112.34 -178.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.0 ttmt -151.75 175.56 12.29 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.055 1.342 . . . . 10.0 112.181 -177.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.8 t -52.19 143.04 15.26 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.89 1.676 . . . . 10.0 113.462 -179.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.3 p -85.2 36.89 0.65 Allowed 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 126.956 2.102 . . . . 10.0 110.93 175.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -39.12 127.34 1.69 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 127.968 2.507 . . . . 10.0 114.609 -177.717 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.7 t -158.33 149.9 21.23 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 126.092 1.757 . . . . 10.0 109.687 177.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.9 ttt180 -56.64 -33.46 66.35 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 124.007 0.923 . . . . 10.0 111.401 174.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -61.09 -36.72 80.42 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.809 1.643 . . . . 10.0 113.421 178.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.0 mtt85 -69.71 -46.4 66.07 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.743 0.817 . . . . 10.0 110.879 178.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.431 ' HG ' ' HA ' ' A' ' 40' ' ' CYS . 73.1 m -63.19 -38.53 91.54 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.384 1.474 . . . . 10.0 112.784 174.168 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.88 -41.4 97.83 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.702 0.801 . . . . 10.0 111.564 178.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -63.01 -40.42 97.71 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.274 0.63 . . . . 10.0 111.314 175.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.07 -33.67 76.3 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 124.193 0.997 . . . . 10.0 112.42 175.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.8 tp -71.74 -42.98 66.61 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.94 1.296 . . . . 10.0 109.919 175.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.51 -34.31 57.67 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 115.301 1.593 . . . . 10.0 115.301 -179.733 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 75.4 p -72.91 -12.83 61.11 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 114.484 1.29 . . . . 10.0 114.484 -178.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 83.9 mt -71.09 155.7 92.9 Favored Pre-proline 0 CA--C 1.55 0.955 0 CA-C-N 119.236 0.925 . . . . 10.0 111.41 175.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -56.52 123.91 14.97 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 122.932 2.421 . . . . 10.0 111.049 176.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -59.12 -34.45 72.05 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 113.022 0.749 . . . . 10.0 113.022 -178.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -67.18 -38.32 85.19 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.184 0.994 . . . . 10.0 112.149 174.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -69.56 -41.82 75.38 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.096 0.958 . . . . 10.0 111.103 177.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 47.9 t -59.74 -42.28 88.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 124.468 1.107 . . . . 10.0 110.692 176.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -64.35 -34.12 77.42 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 112.673 0.619 . . . . 10.0 112.673 176.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 71.0 m -61.44 -35.3 77.18 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.37 -0.831 . . . . 10.0 112.321 177.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.6 mm -64.68 -36.15 76.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 CA-C-N 119.097 0.862 . . . . 10.0 111.011 177.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 38.9 mt -63.99 -30.13 71.24 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.011 -1.056 . . . . 10.0 112.305 176.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.75 -5.11 57.86 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 124.946 1.298 . . . . 10.0 113.763 176.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -123.83 -27.59 3.93 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 114.789 1.403 . . . . 10.0 114.789 -178.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -141.15 -26.35 0.71 Allowed 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 114.464 1.283 . . . . 10.0 114.464 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 84.31 1.59 89.39 Favored Glycine 0 CA--C 1.538 1.496 0 N-CA-C 115.932 1.133 . . . . 10.0 115.932 177.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -160.23 165.58 31.21 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.11 1.364 . . . . 10.0 112.035 -179.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 93.7 mt -130.6 134.62 61.84 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 125.237 1.415 . . . . 10.0 110.356 179.065 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -95.87 100.16 11.88 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.2 1.8 . . . . 10.0 108.175 175.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 3.1 mmt -91.37 153.07 20.15 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 124.958 1.303 . . . . 10.0 112.843 -177.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 73.4 m80 -121.13 125.44 47.22 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.512 1.525 . . . . 10.0 109.343 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.431 ' HA ' ' HG ' ' A' ' 14' ' ' CYS . 53.9 t -51.1 119.54 4.09 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.137 1.775 . . . . 10.0 111.871 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -63.69 -15.69 59.1 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 123.395 0.678 . . . . 10.0 112.735 178.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -92.04 -38.58 12.13 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.932 1.693 . . . . 10.0 113.893 -178.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.9 p -141.19 -10.43 0.97 Allowed 'General case' 0 CA--C 1.553 1.072 0 N-CA-C 117.925 2.565 . . . . 10.0 117.925 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 97.44 -6.44 63.21 Favored Glycine 0 CA--C 1.539 1.588 0 C-N-CA 125.193 1.377 . . . . 10.0 116.077 179.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -53.28 145.93 13.01 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 125.68 1.592 . . . . 10.0 113.194 179.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 71.7 m-70 -82.74 142.76 31.37 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 114.368 1.247 . . . . 10.0 114.368 -177.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -149.68 131.89 15.46 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 127.006 2.122 . . . . 10.0 107.771 174.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -102.65 143.06 32.8 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.876 0.871 . . . . 10.0 112.656 -178.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -130.58 126.07 35.79 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.036 1.334 . . . . 10.0 110.043 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 -91.07 172.53 8.5 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.435 1.094 . . . . 10.0 111.28 -178.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.31 -39.55 70.06 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.237 -0.915 . . . . 10.0 112.08 177.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -65.28 -38.1 89.24 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.134 1.374 . . . . 10.0 112.239 177.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -71.99 -48.01 47.96 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.077 0.951 . . . . 10.0 110.954 177.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 69.6 mt -60.93 -39.13 81.04 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.134 0 C-N-CA 125.894 1.677 . . . . 10.0 110.863 -179.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.62 -41.08 72.99 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 119.001 0.819 . . . . 10.0 112.811 178.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -74.02 -46.95 40.32 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.517 -0.74 . . . . 10.0 111.217 176.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 93.5 mt -58.38 -39.84 75.98 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 124.424 1.09 . . . . 10.0 111.411 179.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 68.8 ttt-85 -62.44 -24.74 67.59 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 126.372 1.869 . . . . 10.0 112.629 176.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 64.0 m-80 -103.59 19.69 19.35 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 126.615 1.966 . . . . 10.0 111.238 175.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 51.77 44.9 28.96 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 127.343 2.257 . . . . 10.0 113.534 -179.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -130.61 159.03 38.39 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.16 1.384 . . . . 10.0 112.493 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 32.0 m . . . . . 0 C--O 1.253 1.267 0 C-N-CA 127.25 2.22 . . . . 10.0 111.452 179.701 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.0 ttt . . . . . 0 N--CA 1.485 1.322 0 N-CA-C 110.188 -0.301 . . . . 10.0 110.188 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -66.38 156.03 35.73 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.172 0.989 . . . . 10.0 113.052 179.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.4 p -153.38 153.78 8.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 125.497 1.519 . . . . 10.0 110.743 179.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -58.23 148.01 28.57 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.845 1.258 . . . . 10.0 113.132 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -148.05 175.26 11.16 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.316 1.047 . . . . 10.0 112.909 -179.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.3 mmpt? -58.98 132.76 54.97 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 126.37 1.868 . . . . 10.0 110.135 177.112 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.1 t -61.37 151.74 31.43 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 114.381 1.252 . . . . 10.0 114.381 -177.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.2 t -141.85 8.82 1.92 Allowed 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 127.299 2.24 . . . . 10.0 111.192 178.082 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 28.7 m -94.0 -158.09 0.6 Allowed 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 128.138 2.575 . . . . 10.0 112.57 -175.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 88.5 p -149.18 172.69 14.41 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 126.438 1.895 . . . . 10.0 111.168 179.316 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 66.3 mtp85 -57.35 -35.28 69.73 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.106 0.562 . . . . 10.0 111.405 174.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -60.83 -43.86 97.69 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.3 1.04 . . . . 10.0 112.822 179.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 62.9 mtt180 -60.87 -46.03 92.21 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 121.728 -0.608 . . . . 10.0 111.8 178.009 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.7 t -72.6 -33.19 66.53 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 112.848 0.685 . . . . 10.0 112.848 178.044 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.66 96.06 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.523 0.729 . . . . 10.0 110.51 175.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -63.04 -34.52 77.76 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 121.548 -0.72 . . . . 10.0 111.763 175.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.58 -33.82 74.73 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 123.663 0.785 . . . . 10.0 111.884 174.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 15.4 tp -74.51 -40.89 61.5 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.46 1.504 . . . . 10.0 110.824 177.072 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -49.55 -35.16 19.48 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 128.13 2.572 . . . . 10.0 114.768 178.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 77.6 p -78.44 -13.83 59.65 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 114.556 1.317 . . . . 10.0 114.556 -179.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 71.4 mt -70.23 153.19 95.4 Favored Pre-proline 0 CA--C 1.55 0.958 0 CA-C-N 119.576 1.08 . . . . 10.0 111.644 178.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -53.4 125.12 17.45 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 123.518 2.812 . . . . 10.0 112.863 179.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -60.01 -35.78 75.79 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 113.326 0.861 . . . . 10.0 113.326 -178.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -64.38 -39.54 94.06 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.707 0.803 . . . . 10.0 111.509 176.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -69.53 -41.85 75.42 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.88 0.872 . . . . 10.0 110.41 176.261 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 24.6 t -57.79 -48.51 83.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 124.008 0.923 . . . . 10.0 109.66 175.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.4 -37.57 87.98 Favored 'General case' 0 CA--C 1.539 0.537 0 O-C-N 121.669 -0.645 . . . . 10.0 112.495 177.574 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 68.5 m -63.0 -45.18 93.61 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.656 0.782 . . . . 10.0 111.847 178.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 74.6 mt -64.72 -44.12 96.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 CA-C-N 118.692 0.678 . . . . 10.0 109.975 176.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 49.7 mt -59.22 -38.94 81.2 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 121.288 -0.883 . . . . 10.0 111.984 176.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.95 -8.39 36.67 Favored 'General case' 0 CA--C 1.55 0.969 0 N-CA-C 114.364 1.246 . . . . 10.0 114.364 177.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -121.6 -20.98 6.34 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 114.362 1.245 . . . . 10.0 114.362 -179.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -140.19 -11.6 1.09 Allowed 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 115.718 1.747 . . . . 10.0 115.718 -178.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.71 -1.47 37.69 Favored Glycine 0 CA--C 1.54 1.613 0 N-CA-C 116.141 1.216 . . . . 10.0 116.141 179.135 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -154.91 161.79 41.31 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.029 1.332 . . . . 10.0 112.426 179.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 61.0 mt -134.44 136.42 52.86 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 C-N-CA 125.913 1.685 . . . . 10.0 109.604 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -103.6 132.06 50.19 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.646 1.178 . . . . 10.0 108.678 174.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 13.9 tpt -127.41 152.94 46.87 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 124.902 1.281 . . . . 10.0 111.333 -178.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 50.4 t60 -93.94 134.71 36.03 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.989 1.316 . . . . 10.0 112.833 -176.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 13.3 t -79.19 76.21 5.72 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 127.122 2.169 . . . . 10.0 109.409 176.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -57.24 -15.35 5.78 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 113.767 1.025 . . . . 10.0 113.767 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 67.5 m-85 -62.33 -36.78 83.27 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.092 1.757 . . . . 10.0 113.165 175.112 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 22.6 p -149.78 -18.06 0.26 Allowed 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 117.486 2.402 . . . . 10.0 117.486 -177.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 128.73 -12.71 6.19 Favored Glycine 0 CA--C 1.536 1.365 0 CA-C-N 120.564 1.529 . . . . 10.0 116.6 176.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -70.39 -168.98 0.27 Allowed 'General case' 0 CA--C 1.558 1.285 0 C-N-CA 125.477 1.511 . . . . 10.0 113.129 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 7.4 p80 -151.37 161.71 42.21 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 126.071 1.748 . . . . 10.0 110.69 175.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -148.36 149.0 31.0 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 125.52 1.528 . . . . 10.0 108.644 -179.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.7 pp -113.22 144.75 42.17 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.65 0.78 . . . . 10.0 112.276 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -134.49 126.94 30.44 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 125.739 1.615 . . . . 10.0 111.725 -174.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 59.5 m-20 -88.14 171.33 10.32 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.906 0.883 . . . . 10.0 110.809 178.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.33 -37.21 67.13 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 123.545 0.738 . . . . 10.0 112.9 178.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 2.4 mpt? -65.11 -38.24 90.03 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.707 1.203 . . . . 10.0 112.472 178.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -72.15 -44.11 63.59 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.992 0.917 . . . . 10.0 110.072 176.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 51.4 mt -60.2 -33.48 53.67 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 C-N-CA 125.086 1.354 . . . . 10.0 111.417 176.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.35 -35.93 74.78 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.692 -0.63 . . . . 10.0 111.596 174.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -72.82 -39.38 66.66 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.781 1.173 . . . . 10.0 110.772 176.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 97.0 mt -59.31 -38.77 76.53 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.752 0 O-C-N 121.387 -0.821 . . . . 10.0 110.151 175.141 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -78.64 -33.23 47.39 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.53 1.532 . . . . 10.0 114.927 177.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 62.1 t30 -105.28 -7.11 19.13 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 115.969 1.84 . . . . 10.0 115.969 -171.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -140.53 -24.73 0.78 Allowed 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 125.261 1.424 . . . . 10.0 113.285 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 50.81 30.73 5.32 Favored 'General case' 0 CA--C 1.551 0.99 0 N-CA-C 116.511 2.041 . . . . 10.0 116.511 176.259 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 18.3 m . . . . . 0 C--O 1.251 1.134 0 C-N-CA 127.197 2.199 . . . . 10.0 114.83 179.651 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.2 mpp? . . . . . 0 N--CA 1.485 1.322 0 N-CA-C 109.971 -0.381 . . . . 10.0 109.971 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -66.24 154.87 38.69 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 124.086 0.954 . . . . 10.0 112.69 179.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.4 t -72.5 118.41 17.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 124.933 1.293 . . . . 10.0 110.858 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -80.74 26.1 0.42 Allowed 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.556 1.542 . . . . 10.0 113.79 179.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -148.05 83.63 1.51 Allowed 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 127.119 2.168 . . . . 10.0 110.254 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -147.35 120.67 8.98 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.641 1.576 . . . . 10.0 108.299 177.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 20.4 p -74.92 179.48 4.89 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.644 1.178 . . . . 10.0 112.724 179.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 36.5 p -71.8 13.72 0.26 Allowed 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 126.224 1.81 . . . . 10.0 113.776 178.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 16.6 p -61.33 172.23 1.18 Allowed 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 116.422 2.008 . . . . 10.0 116.422 -177.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.9 m -161.43 174.66 13.14 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 130.625 3.57 . . . . 10.0 106.928 177.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.6 ttp85 -55.03 -35.18 64.19 Favored 'General case' 0 N--CA 1.48 1.043 0 O-C-N 121.183 -0.948 . . . . 10.0 112.255 179.245 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -58.58 -39.52 80.57 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.401 1.481 . . . . 10.0 113.593 176.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.4 mmm-85 -67.53 -45.33 76.04 Favored 'General case' 0 N--CA 1.481 1.106 0 O-C-N 121.226 -0.921 . . . . 10.0 110.822 177.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 17.8 t -62.54 -38.06 88.56 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.631 0.772 . . . . 10.0 111.687 173.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.76 -41.37 97.6 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.083 0.953 . . . . 10.0 110.972 177.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -59.58 -34.72 73.07 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.966 0.906 . . . . 10.0 112.401 177.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.29 -33.76 73.68 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 123.571 0.748 . . . . 10.0 112.319 175.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.3 tp -76.01 -44.65 38.44 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.438 1.495 . . . . 10.0 110.581 176.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -47.7 -39.54 17.74 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 128.404 2.681 . . . . 10.0 114.497 179.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 59.9 p -81.96 -9.88 59.43 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 115.085 1.513 . . . . 10.0 115.085 -178.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 95.4 mt -66.32 155.27 88.51 Favored Pre-proline 0 CA--C 1.548 0.875 0 CA-C-N 119.556 1.071 . . . . 10.0 111.29 177.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -53.56 119.21 5.83 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 123.254 2.636 . . . . 10.0 111.403 178.181 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -58.31 -35.28 71.62 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 113.406 0.891 . . . . 10.0 113.406 -176.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -63.77 -39.42 94.22 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.723 0.809 . . . . 10.0 111.466 176.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -69.58 -45.29 68.99 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.53 -0.731 . . . . 10.0 110.936 176.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 62.6 t -58.29 -48.79 83.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 123.832 0.853 . . . . 10.0 110.134 177.095 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -61.26 -38.68 87.59 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.94 0.896 . . . . 10.0 112.074 176.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 66.2 m -61.83 -43.67 98.38 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.211 0.604 . . . . 10.0 111.938 177.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 75.1 mt -64.35 -46.96 91.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 CA-C-N 118.757 0.708 . . . . 10.0 109.959 176.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 97.1 mt -60.08 -37.85 81.14 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.577 -0.702 . . . . 10.0 112.248 178.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.63 -9.28 41.7 Favored 'General case' 0 CA--C 1.55 0.969 0 N-CA-C 114.273 1.212 . . . . 10.0 114.273 176.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -122.45 -15.77 7.5 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 114.391 1.256 . . . . 10.0 114.391 -179.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -142.16 -13.17 0.82 Allowed 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 115.576 1.695 . . . . 10.0 115.576 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 73.2 -8.14 9.46 Favored Glycine 0 CA--C 1.539 1.538 0 N-CA-C 116.254 1.262 . . . . 10.0 116.254 179.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -152.15 164.15 37.9 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 118.924 1.362 . . . . 10.0 113.324 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 70.1 mt -135.93 135.93 50.21 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 C-N-CA 126.937 2.095 . . . . 10.0 109.775 -177.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -97.84 124.22 42.14 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.917 1.687 . . . . 10.0 107.54 174.051 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 15.1 tpt -131.71 153.18 50.29 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.067 0.947 . . . . 10.0 111.787 -175.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 67.7 m-70 -119.65 140.36 50.75 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.429 1.092 . . . . 10.0 111.556 179.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 40.5 t -53.94 118.86 4.33 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.474 1.91 . . . . 10.0 110.653 177.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -66.95 -9.14 35.29 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 113.095 0.776 . . . . 10.0 113.095 179.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -99.6 -42.73 6.77 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.913 1.685 . . . . 10.0 114.01 -177.254 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.6 p -132.3 -9.98 3.3 Favored 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 116.64 2.089 . . . . 10.0 116.64 179.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 94.42 -2.12 67.5 Favored Glycine 0 CA--C 1.536 1.393 0 N-CA-C 116.914 1.526 . . . . 10.0 116.914 176.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -58.32 138.82 56.15 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 120.152 1.976 . . . . 10.0 112.118 178.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -82.68 150.91 26.49 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.155 0.982 . . . . 10.0 113.453 -178.636 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -153.24 153.28 32.38 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 126.35 1.86 . . . . 10.0 109.024 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 91.9 mt -114.58 142.18 46.78 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.823 0.849 . . . . 10.0 112.693 -178.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -136.33 139.2 42.41 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 126.171 1.788 . . . . 10.0 110.011 -179.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 22.4 p30 -121.62 172.58 8.01 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 124.033 0.933 . . . . 10.0 112.118 178.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.3 -41.96 73.06 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 113.422 0.897 . . . . 10.0 113.422 -178.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 26.3 mmt -70.51 -39.03 74.34 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.134 0.573 . . . . 10.0 112.276 178.048 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -67.82 -43.42 79.63 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 121.299 -0.875 . . . . 10.0 111.534 178.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 80.6 mt -65.32 -35.46 75.39 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 C-N-CA 124.582 1.153 . . . . 10.0 110.288 176.21 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.17 -36.59 84.55 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 121.792 -0.568 . . . . 10.0 111.416 175.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -72.37 -40.41 67.31 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 121.516 -0.74 . . . . 10.0 110.88 175.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 52.4 mt -58.06 -42.54 83.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 CA-C-N 119.151 0.887 . . . . 10.0 109.948 175.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 47.6 mmt-85 -66.92 -9.87 42.9 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.715 1.606 . . . . 10.0 115.309 176.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 63.2 m-80 -125.94 5.51 7.29 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.185 1.394 . . . . 10.0 113.746 -179.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -146.55 -17.59 0.43 Allowed 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 115.285 1.587 . . . . 10.0 115.285 -178.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -133.67 -10.83 2.75 Favored 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 115.541 1.682 . . . . 10.0 115.541 -177.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 70.4 m . . . . . 0 C--O 1.252 1.213 0 C-N-CA 125.447 1.499 . . . . 10.0 112.051 177.095 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 N--CA 1.487 1.408 0 N-CA-C 110.109 -0.33 . . . . 10.0 110.109 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -139.02 21.31 2.63 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.981 1.312 . . . . 10.0 114.251 -177.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.8 m -63.99 149.68 10.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 124.408 1.083 . . . . 10.0 112.735 179.262 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -147.85 47.37 1.09 Allowed 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.939 1.295 . . . . 10.0 110.824 -178.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 39.1 p90 -62.03 12.26 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 118.354 2.724 . . . . 10.0 118.354 -176.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -79.66 0.97 28.08 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 126.317 1.847 . . . . 10.0 115.076 175.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 7.4 t 36.71 79.91 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 131.396 3.878 . . . . 10.0 114.363 -179.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.8 m -59.98 -26.5 66.08 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 126.377 1.871 . . . . 10.0 113.819 -178.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 26.6 p -87.33 -145.49 0.13 Allowed 'General case' 0 CA--C 1.556 1.19 0 C-N-CA 125.575 1.55 . . . . 10.0 112.778 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.5 m -141.06 163.96 31.56 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.222 1.409 . . . . 10.0 113.557 -176.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 19.4 ptp180 -54.4 -33.73 59.89 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 125.456 1.502 . . . . 10.0 114.219 -179.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -57.0 -36.47 70.44 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.413 1.485 . . . . 10.0 112.724 -179.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 65.5 mtt85 -67.67 -41.81 83.15 Favored 'General case' 0 N--CA 1.478 0.943 0 O-C-N 121.405 -0.809 . . . . 10.0 111.401 175.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 16.7 t -65.54 -41.91 92.51 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-O 121.075 0.464 . . . . 10.0 110.964 174.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.78 -42.7 99.33 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.711 1.204 . . . . 10.0 112.191 178.095 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -61.02 -38.17 85.14 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.937 0.895 . . . . 10.0 111.774 177.03 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.93 -33.64 74.06 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.489 0.716 . . . . 10.0 112.54 175.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.1 tp -76.05 -47.11 25.97 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.827 1.251 . . . . 10.0 111.656 178.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.11 -21.23 66.77 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 115.881 1.808 . . . . 10.0 115.881 -176.013 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 36.2 p -82.17 -10.55 59.12 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 113.606 0.965 . . . . 10.0 113.606 177.14 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 97.8 mt -67.43 159.7 76.24 Favored Pre-proline 0 CA--C 1.551 0.991 0 C-N-CA 124.495 1.118 . . . . 10.0 111.624 177.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -47.08 127.32 12.51 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 123.914 3.076 . . . . 10.0 113.895 179.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -54.91 -39.51 68.88 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.478 1.111 . . . . 10.0 112.987 -178.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -62.33 -41.57 98.66 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.385 1.074 . . . . 10.0 112.343 178.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -66.45 -45.53 79.46 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 121.422 -0.799 . . . . 10.0 110.987 178.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 96.4 t -60.97 -48.0 91.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 123.635 0.774 . . . . 10.0 110.078 177.007 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -59.57 -43.76 93.51 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.87 0.868 . . . . 10.0 112.6 178.228 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 31.4 m -59.79 -43.69 94.29 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 119.012 0.824 . . . . 10.0 112.818 178.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 62.1 mt -68.21 -45.37 83.06 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 CA-C-N 119.291 0.951 . . . . 10.0 110.398 178.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 93.4 mt -61.35 -35.61 77.93 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.3 -0.875 . . . . 10.0 112.208 177.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.4 -14.7 61.77 Favored 'General case' 0 CA--C 1.549 0.934 0 N-CA-C 113.969 1.1 . . . . 10.0 113.969 176.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -111.85 -26.69 8.81 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.892 1.277 . . . . 10.0 114.244 -177.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -136.72 -15.61 1.57 Allowed 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 115.008 1.485 . . . . 10.0 115.008 -178.399 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.95 -9.25 25.71 Favored Glycine 0 CA--C 1.537 1.412 0 C-N-CA 124.693 1.139 . . . . 10.0 115.799 179.141 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -143.62 160.83 39.96 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.95 1.3 . . . . 10.0 112.014 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 84.9 mt -134.26 136.56 53.04 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 C-N-CA 126.747 2.019 . . . . 10.0 108.634 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -124.4 123.78 40.92 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.394 1.478 . . . . 10.0 109.864 178.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 57.2 mtt -137.3 156.26 48.47 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.444 1.498 . . . . 10.0 112.415 -177.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 12.0 p-80 -94.45 141.65 28.34 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.606 0.763 . . . . 10.0 111.67 178.142 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 53.4 t -56.11 120.46 7.55 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 127.211 2.204 . . . . 10.0 110.815 178.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -65.56 -13.91 59.98 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 113.049 0.759 . . . . 10.0 113.049 179.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -102.04 -36.96 8.39 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.826 1.65 . . . . 10.0 114.04 -178.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 5.9 m -125.07 -11.19 7.08 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 116.338 1.977 . . . . 10.0 116.338 -173.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.33 -8.73 45.04 Favored Glycine 0 CA--C 1.541 1.676 0 N-CA-C 116.02 1.168 . . . . 10.0 116.02 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -66.73 150.0 49.72 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 118.889 1.344 . . . . 10.0 112.093 178.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 10.5 p-80 -82.79 150.9 26.36 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 120.981 -1.074 . . . . 10.0 113.413 -179.206 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -150.23 133.48 16.34 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 126.489 1.916 . . . . 10.0 108.361 177.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.7 pp -114.55 142.31 46.59 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.021 0.929 . . . . 10.0 111.804 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -136.34 151.86 50.04 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 125.858 1.663 . . . . 10.0 110.579 -178.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 23.5 p30 -121.15 179.2 4.47 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 121.794 0.807 . . . . 10.0 113.052 179.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.42 -39.97 70.88 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 112.938 0.718 . . . . 10.0 112.938 -179.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 34.8 mmt -70.52 -39.18 74.22 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.443 0.697 . . . . 10.0 111.958 177.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -61.43 -48.03 83.03 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 119.005 0.821 . . . . 10.0 110.576 176.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 84.2 mt -65.28 -39.05 84.14 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 C-N-CA 124.64 1.176 . . . . 10.0 110.611 178.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.53 -37.32 83.32 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 118.914 0.779 . . . . 10.0 112.214 176.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -71.04 -43.49 67.75 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 121.465 -0.772 . . . . 10.0 110.694 175.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 54.3 mt -57.93 -41.89 81.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 124.313 1.045 . . . . 10.0 110.772 177.088 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 38.6 ttt85 -63.14 -18.1 63.07 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 127.075 2.15 . . . . 10.0 114.153 177.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 -125.8 4.37 7.4 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.275 1.43 . . . . 10.0 114.807 -176.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -139.73 -19.02 0.93 Allowed 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 114.243 1.201 . . . . 10.0 114.243 -178.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -131.04 16.03 5.15 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 125.007 1.323 . . . . 10.0 112.757 179.276 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.6 m . . . . . 0 C--O 1.251 1.179 0 C-N-CA 126.815 2.046 . . . . 10.0 112.481 -178.381 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.1 mmt . . . . . 0 N--CA 1.487 1.376 0 N-CA-C 110.592 -0.151 . . . . 10.0 110.592 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -150.03 170.48 18.77 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.363 1.465 . . . . 10.0 112.118 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.4 p -148.93 148.1 16.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 125.41 1.484 . . . . 10.0 110.401 179.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -75.07 20.94 0.13 Allowed 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 115.619 1.711 . . . . 10.0 115.619 -179.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -75.59 174.06 10.21 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 125.648 1.579 . . . . 10.0 111.931 178.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -127.59 133.97 49.72 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.7 1.6 . . . . 10.0 109.929 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 10.8 t -56.53 143.72 34.32 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.439 1.096 . . . . 10.0 113.38 -177.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 71.0 p -121.88 -5.34 9.08 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.477 1.511 . . . . 10.0 114.249 -178.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 26.4 p -110.42 -109.47 0.34 Allowed 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.706 1.602 . . . . 10.0 111.215 179.136 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 45.2 t -163.8 162.68 23.91 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.421 1.489 . . . . 10.0 112.299 -179.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 74.7 ttt-85 -55.14 -30.52 59.98 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.751 1.62 . . . . 10.0 111.122 172.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -57.25 -36.36 70.86 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.445 1.498 . . . . 10.0 112.424 177.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 57.3 mtt180 -69.69 -38.49 77.01 Favored 'General case' 0 N--CA 1.477 0.921 0 O-C-N 121.138 -0.976 . . . . 10.0 111.519 175.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 11.8 t -65.47 -40.35 93.05 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.22 0.608 . . . . 10.0 110.586 174.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.96 -43.06 99.63 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.389 1.075 . . . . 10.0 111.129 175.213 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -60.22 -43.08 96.29 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.374 1.07 . . . . 10.0 110.844 176.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.06 -33.72 76.11 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.626 1.17 . . . . 10.0 113.18 176.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 41.3 tp -70.31 -37.49 74.76 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.77 1.228 . . . . 10.0 111.675 179.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.36 -31.55 63.91 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 114.23 1.196 . . . . 10.0 114.23 -177.678 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 72.1 p -73.4 -13.88 61.16 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 114.64 1.348 . . . . 10.0 114.64 -176.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 52.3 mt -65.76 147.21 98.85 Favored Pre-proline 0 CA--C 1.55 0.945 0 CA-C-N 119.4 1.0 . . . . 10.0 111.063 177.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -56.65 139.52 88.34 Favored 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 123.119 2.546 . . . . 10.0 113.0 179.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -57.72 -37.72 74.02 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 123.465 0.706 . . . . 10.0 112.67 179.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -66.44 -37.99 86.41 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.243 0.617 . . . . 10.0 111.998 177.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -69.16 -47.33 65.28 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.056 0.943 . . . . 10.0 110.492 177.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 49.4 t -60.02 -48.96 85.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 124.388 1.075 . . . . 10.0 110.657 177.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -62.73 -37.78 87.91 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.346 0.659 . . . . 10.0 112.303 178.073 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 75.5 m -60.8 -44.32 97.0 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 118.752 0.705 . . . . 10.0 112.055 177.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 61.3 mt -66.85 -45.76 86.87 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 123.119 0.567 . . . . 10.0 110.202 178.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 81.7 mt -60.93 -37.12 81.2 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.278 -0.889 . . . . 10.0 112.463 177.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.69 -9.95 41.55 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 114.284 1.216 . . . . 10.0 114.284 177.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -122.06 -18.72 6.84 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 114.395 1.257 . . . . 10.0 114.395 -179.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -139.82 -11.93 1.14 Allowed 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 115.793 1.775 . . . . 10.0 115.793 -179.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.09 -0.35 39.35 Favored Glycine 0 CA--C 1.539 1.588 0 N-CA-C 115.913 1.125 . . . . 10.0 115.913 179.045 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -157.06 163.03 39.46 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.51 1.524 . . . . 10.0 111.851 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 31.4 mt -133.84 136.31 54.11 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 C-N-CA 125.75 1.62 . . . . 10.0 109.644 -179.187 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -99.18 130.7 45.5 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.614 1.166 . . . . 10.0 108.005 173.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 15.9 tpt -131.17 152.52 50.36 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.402 1.081 . . . . 10.0 111.445 -177.09 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 25.8 p-80 -94.59 141.67 28.33 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.786 1.234 . . . . 10.0 112.766 -179.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 53.2 t -77.15 94.11 4.02 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.935 1.694 . . . . 10.0 107.547 173.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -57.15 -20.97 29.32 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 113.327 0.862 . . . . 10.0 113.327 -179.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -82.29 -35.98 27.48 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 126.152 1.781 . . . . 10.0 114.857 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 21.6 m -125.71 -16.27 5.77 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 116.637 2.088 . . . . 10.0 116.637 -174.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 91.86 -3.24 77.41 Favored Glycine 0 CA--C 1.54 1.622 0 C-N-CA 124.504 1.049 . . . . 10.0 114.552 -178.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -71.3 -177.31 1.72 Allowed 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 126.004 1.722 . . . . 10.0 111.235 176.095 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 5.3 p80 -141.83 160.49 40.09 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 120.43 -1.419 . . . . 10.0 111.905 175.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -150.17 154.82 38.66 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 125.851 1.66 . . . . 10.0 109.049 -178.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -112.47 142.12 45.4 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.22 1.008 . . . . 10.0 112.162 -179.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -134.35 122.03 22.03 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 125.784 1.634 . . . . 10.0 111.119 -176.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -82.72 168.39 17.26 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.667 0.787 . . . . 10.0 111.579 179.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.3 -39.11 69.51 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.748 0.819 . . . . 10.0 112.515 178.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 77.0 mtm -66.82 -38.31 86.2 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.78 0.832 . . . . 10.0 112.682 178.074 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -71.11 -43.12 68.32 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 121.341 -0.849 . . . . 10.0 110.434 178.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 56.7 mt -62.45 -36.96 77.45 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 C-N-CA 124.406 1.082 . . . . 10.0 110.391 175.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.54 -39.66 91.99 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.743 -0.598 . . . . 10.0 111.402 175.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -66.06 -42.69 89.14 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.268 -0.895 . . . . 10.0 110.395 175.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 65.3 mt -58.97 -42.77 87.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 124.36 1.064 . . . . 10.0 110.274 175.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 58.4 mmt-85 -71.66 -31.51 66.9 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 113.506 0.928 . . . . 10.0 113.506 176.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 11.1 m-80 -71.35 -30.29 66.0 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 119.317 0.962 . . . . 10.0 112.137 175.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -77.87 -45.75 23.36 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.412 1.485 . . . . 10.0 111.49 176.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 51.08 20.98 0.93 Allowed 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 127.368 2.267 . . . . 10.0 117.102 178.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 43.9 m . . . . . 0 C--O 1.253 1.249 0 C-N-CA 126.068 1.747 . . . . 10.0 111.105 179.372 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.3 ttt . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.515 0.198 . . . . 10.0 110.566 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -140.18 145.31 37.3 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.823 1.649 . . . . 10.0 110.116 177.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.9 p -153.17 157.87 4.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 124.801 1.24 . . . . 10.0 111.698 -177.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -129.33 155.18 46.04 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 126.456 1.903 . . . . 10.0 111.327 -179.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -94.08 161.21 14.37 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.121 0.968 . . . . 10.0 112.515 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -154.94 151.76 28.9 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.62 1.568 . . . . 10.0 111.696 -178.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 13.6 t -63.68 169.69 3.82 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.686 1.594 . . . . 10.0 111.936 175.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.9 m -59.66 -22.02 61.34 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.95 1.3 . . . . 10.0 111.549 175.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 7.7 p -116.47 -101.3 0.43 Allowed 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 127.264 2.225 . . . . 10.0 110.382 176.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 92.4 p -166.2 165.33 17.61 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.792 1.237 . . . . 10.0 114.093 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.7 ttm-85 -59.37 -34.18 72.08 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.033 0.933 . . . . 10.0 111.148 174.311 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -57.1 -39.75 75.68 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.483 1.113 . . . . 10.0 112.19 -179.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.4 mmm180 -64.64 -41.21 96.3 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 119.035 0.834 . . . . 10.0 112.223 176.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 10.2 t -68.35 -41.95 79.95 Favored 'General case' 0 CA--C 1.548 0.865 0 C-N-CA 123.906 0.883 . . . . 10.0 111.549 175.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.0 -39.41 92.16 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.197 1.399 . . . . 10.0 112.055 177.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -58.96 -36.39 74.74 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.848 1.259 . . . . 10.0 111.499 177.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.19 -33.79 67.91 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 123.966 0.906 . . . . 10.0 113.274 174.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 18.8 tp -76.28 -45.85 30.62 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.713 1.205 . . . . 10.0 111.838 179.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 42.2 pttt -62.02 -24.06 66.82 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 115.417 1.636 . . . . 10.0 115.417 -176.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 37.4 p -80.11 -11.48 59.75 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 113.595 0.961 . . . . 10.0 113.595 179.256 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 89.0 mt -68.33 154.4 94.24 Favored Pre-proline 0 CA--C 1.551 1.007 0 C-N-CA 123.924 0.89 . . . . 10.0 110.971 176.164 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -52.58 131.13 39.74 Favored 'Trans proline' 0 C--N 1.351 0.708 0 C-N-CA 123.335 2.69 . . . . 10.0 113.192 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -57.88 -39.33 77.59 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.3 0.64 . . . . 10.0 112.512 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -65.63 -39.32 91.34 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.483 0.713 . . . . 10.0 111.713 177.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -65.39 -46.41 80.18 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 121.506 -0.747 . . . . 10.0 110.754 177.28 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 67.5 t -60.92 -47.15 94.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 123.708 0.803 . . . . 10.0 110.291 176.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -58.58 -39.69 81.04 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.924 0.89 . . . . 10.0 112.682 178.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 34.7 m -59.75 -42.64 93.64 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 119.091 0.86 . . . . 10.0 112.367 177.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 27.4 mm -68.59 -43.81 83.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 CA-C-N 119.179 0.899 . . . . 10.0 110.767 177.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 84.0 mt -62.32 -34.0 75.77 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 121.314 -0.866 . . . . 10.0 112.257 177.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.01 -7.04 54.94 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.901 1.28 . . . . 10.0 113.974 176.265 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -119.47 -32.03 4.45 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.641 1.176 . . . . 10.0 113.925 -176.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -136.78 -17.27 1.45 Allowed 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 114.557 1.317 . . . . 10.0 114.557 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.84 -0.62 65.31 Favored Glycine 0 CA--C 1.537 1.441 0 N-CA-C 116.083 1.193 . . . . 10.0 116.083 178.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -149.2 158.77 44.45 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 118.827 1.313 . . . . 10.0 113.508 -178.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 78.9 mt -135.33 133.74 52.55 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 C-N-CA 126.284 1.834 . . . . 10.0 110.0 -178.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -89.95 135.79 33.43 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.131 1.372 . . . . 10.0 108.756 173.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 66.5 mmm -136.6 157.21 47.31 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 125.599 1.56 . . . . 10.0 111.861 -177.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 56.0 m-70 -128.6 134.8 48.69 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.78 1.232 . . . . 10.0 110.233 176.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 53.8 t -55.85 118.06 4.25 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 126.597 1.959 . . . . 10.0 110.964 179.081 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -65.72 -7.27 14.68 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 113.648 0.981 . . . . 10.0 113.648 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -111.76 -36.41 5.46 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 126.242 1.817 . . . . 10.0 114.076 -177.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 10.5 m -122.28 -10.89 8.45 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 115.584 1.698 . . . . 10.0 115.584 -174.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 77.4 -10.29 23.32 Favored Glycine 0 CA--C 1.54 1.64 0 C-N-CA 124.824 1.202 . . . . 10.0 114.83 -177.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -55.85 139.65 45.06 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 126.598 1.959 . . . . 10.0 111.867 178.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 7.8 p-80 -82.53 157.11 23.66 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.293 -0.879 . . . . 10.0 112.92 -178.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -150.65 148.99 29.27 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 126.698 1.999 . . . . 10.0 108.058 179.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 31.8 tp -114.74 139.73 49.46 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.483 1.113 . . . . 10.0 108.33 177.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -134.22 142.6 47.43 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.7 1.2 . . . . 10.0 110.062 179.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -121.24 172.12 8.23 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.323 1.449 . . . . 10.0 110.467 -179.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.41 -39.67 70.49 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 121.613 -0.68 . . . . 10.0 112.558 178.173 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 98.3 mmm -68.01 -37.87 81.95 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.706 0.802 . . . . 10.0 112.572 177.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -65.58 -47.85 74.36 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 118.677 0.671 . . . . 10.0 110.397 177.087 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 95.9 mt -61.7 -37.51 78.18 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 C-N-CA 124.827 1.251 . . . . 10.0 110.773 179.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.4 -37.27 85.12 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.244 0.618 . . . . 10.0 112.236 176.155 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -73.32 -43.8 60.18 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 121.136 -0.977 . . . . 10.0 110.649 175.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 53.7 mt -58.25 -38.01 66.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 124.713 1.205 . . . . 10.0 111.271 177.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 63.7 ttm-85 -63.14 -27.74 69.59 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 126.117 1.767 . . . . 10.0 112.713 177.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 63.0 m-80 -103.87 16.44 26.32 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 126.332 1.853 . . . . 10.0 111.632 177.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 65.0 t30 49.31 40.6 18.69 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 126.73 2.012 . . . . 10.0 112.617 -177.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -115.47 21.48 14.0 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 126.041 1.736 . . . . 10.0 112.629 -177.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.3 m . . . . . 0 C--O 1.252 1.205 0 C-N-CA 128.834 2.854 . . . . 10.0 114.953 -179.729 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.9 ptm . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 120.891 0.377 . . . . 10.0 111.043 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -80.24 14.37 1.96 Allowed 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 116.218 1.932 . . . . 10.0 116.218 -174.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 19.3 m -136.7 40.23 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 C-N-CA 125.939 1.695 . . . . 10.0 113.018 -178.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -78.77 40.35 0.38 Allowed 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 126.182 1.793 . . . . 10.0 114.241 -179.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -73.36 33.6 0.08 Allowed 'General case' 0 CA--C 1.554 1.128 0 C-N-CA 125.823 1.649 . . . . 10.0 113.657 176.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.2 ttpp -74.81 25.84 0.09 Allowed 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 128.45 2.7 . . . . 10.0 115.368 -178.264 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.8 t -136.12 122.18 20.19 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 128.672 2.789 . . . . 10.0 108.245 179.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 72.9 p -76.78 -13.22 60.04 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 114.196 1.184 . . . . 10.0 114.196 -176.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 28.7 p -110.61 -122.05 0.27 Allowed 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 126.272 1.829 . . . . 10.0 111.525 179.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 35.6 t -161.94 163.99 28.72 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 125.624 1.569 . . . . 10.0 112.28 -178.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 74.5 ttt-85 -55.1 -30.45 59.74 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 126.153 1.781 . . . . 10.0 111.316 173.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -57.18 -37.12 71.67 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.358 1.463 . . . . 10.0 112.844 178.338 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 83.4 mtt180 -67.52 -43.13 81.54 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 119.148 0.885 . . . . 10.0 111.104 175.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 9.1 t -63.08 -41.11 99.35 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.622 0.769 . . . . 10.0 110.964 176.076 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.08 -44.74 96.02 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.007 1.323 . . . . 10.0 111.576 176.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -60.93 -39.55 89.87 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.026 0.93 . . . . 10.0 111.918 177.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.81 -33.54 76.09 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.62 0.768 . . . . 10.0 112.603 175.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.6 tp -75.77 -43.82 44.59 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.95 1.3 . . . . 10.0 110.996 178.002 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.8 pttt -56.33 -28.71 59.81 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 114.765 1.394 . . . . 10.0 114.765 -177.289 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 38.2 p -81.9 -10.44 59.29 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 114.323 1.231 . . . . 10.0 114.323 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 94.6 mt -68.26 153.9 94.86 Favored Pre-proline 0 CA--C 1.55 0.95 0 CA-C-N 119.329 0.968 . . . . 10.0 111.484 178.033 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -52.31 133.8 49.15 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 123.453 2.768 . . . . 10.0 113.031 179.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -56.35 -41.51 76.26 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.62 0.768 . . . . 10.0 112.098 179.27 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -61.54 -40.82 96.06 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.696 1.198 . . . . 10.0 112.454 178.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -69.49 -45.87 67.95 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.506 0.722 . . . . 10.0 111.031 178.072 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.4 t -60.37 -48.38 88.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 123.656 0.782 . . . . 10.0 110.287 177.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -62.69 -38.25 89.65 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.848 0.859 . . . . 10.0 112.56 177.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 74.0 m -60.94 -42.01 97.34 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 118.709 0.686 . . . . 10.0 112.41 178.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 68.9 mt -67.71 -44.06 86.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 CA-C-N 118.711 0.687 . . . . 10.0 109.934 177.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 95.7 mt -60.92 -37.95 84.07 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.329 -0.857 . . . . 10.0 112.057 176.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.3 -15.04 63.42 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 124.247 1.019 . . . . 10.0 113.729 176.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -108.32 -28.43 9.42 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.035 1.334 . . . . 10.0 114.016 -178.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -140.99 -8.28 1.04 Allowed 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 115.892 1.812 . . . . 10.0 115.892 -177.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 73.54 -3.89 30.84 Favored Glycine 0 CA--C 1.539 1.568 0 O-C-N 120.943 -1.098 . . . . 10.0 115.754 179.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -152.91 161.6 42.35 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.308 1.443 . . . . 10.0 112.197 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 20.1 mt -134.1 136.55 53.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 C-N-CA 126.885 2.074 . . . . 10.0 110.065 -175.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -98.19 129.8 44.95 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.749 1.219 . . . . 10.0 108.514 173.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 15.1 tpt -128.8 149.22 50.82 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.475 1.11 . . . . 10.0 111.066 -177.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 61.7 t60 -99.81 141.61 32.39 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.265 1.426 . . . . 10.0 113.844 -175.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 53.6 t -87.91 89.43 7.99 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.827 1.651 . . . . 10.0 108.162 174.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -58.5 -24.19 59.84 Favored 'General case' 0 CA--C 1.549 0.925 0 O-C-N 121.408 -0.807 . . . . 10.0 113.031 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -72.03 -38.09 69.62 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 126.138 1.775 . . . . 10.0 114.689 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 32.0 m -123.17 -24.25 4.74 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 115.707 1.743 . . . . 10.0 115.707 -174.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.98 -2.58 44.56 Favored Glycine 0 CA--C 1.539 1.577 0 C-N-CA 125.242 1.401 . . . . 10.0 114.009 -178.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -75.12 -172.34 1.65 Allowed 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 126.113 1.765 . . . . 10.0 112.838 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -146.46 163.21 36.4 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.902 1.281 . . . . 10.0 111.029 176.128 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -148.72 156.78 42.83 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 125.719 1.608 . . . . 10.0 108.842 -178.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 58.7 mt -113.74 142.06 46.51 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.799 0.84 . . . . 10.0 111.055 -179.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -135.31 141.84 45.72 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 126.093 1.757 . . . . 10.0 110.069 -178.059 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 24.9 p30 -121.48 175.8 6.0 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.244 1.018 . . . . 10.0 111.823 179.061 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.2 -41.81 72.46 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 113.496 0.924 . . . . 10.0 113.496 -178.082 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 26.5 mmt -70.6 -38.92 74.05 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.201 0.601 . . . . 10.0 112.511 178.097 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -70.91 -40.68 72.01 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 121.267 -0.895 . . . . 10.0 111.579 179.205 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 74.0 mt -64.14 -35.89 75.22 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 C-N-CA 124.523 1.129 . . . . 10.0 109.881 174.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.25 -38.27 90.45 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.703 -0.623 . . . . 10.0 111.19 175.306 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -70.93 -36.55 72.68 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 121.22 -0.925 . . . . 10.0 111.363 175.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 57.0 mt -61.45 -42.78 95.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 O-C-N 121.539 -0.726 . . . . 10.0 109.434 173.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.9 mmp_? -65.92 -29.37 69.78 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.107 1.363 . . . . 10.0 112.392 174.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -75.16 -33.28 61.47 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.51 0.724 . . . . 10.0 111.896 175.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -77.79 -37.3 49.16 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.797 1.639 . . . . 10.0 112.973 179.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -148.08 144.4 27.84 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.96 1.304 . . . . 10.0 111.809 179.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.0 m . . . . . 0 C--O 1.251 1.154 0 C-N-CA 126.864 2.066 . . . . 10.0 114.415 -178.93 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.7 ttt . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 119.487 -0.292 . . . . 10.0 110.564 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -68.41 155.12 40.48 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.25 1.02 . . . . 10.0 113.501 179.079 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.5 p -158.62 152.88 6.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 126.03 1.732 . . . . 10.0 110.115 178.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -72.67 97.14 2.11 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.306 1.042 . . . . 10.0 111.016 178.031 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -145.09 155.37 43.29 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.121 1.368 . . . . 10.0 111.863 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -62.7 154.85 28.1 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 127.202 2.201 . . . . 10.0 112.91 -179.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 41.9 t -56.49 134.15 53.83 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.244 1.818 . . . . 10.0 111.992 176.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 89.7 m -72.27 -20.93 61.45 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.889 1.276 . . . . 10.0 111.947 177.429 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.6 p -125.19 -104.3 0.35 Allowed 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 127.23 2.212 . . . . 10.0 111.633 -178.176 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.6 t -164.03 166.08 21.81 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.691 1.197 . . . . 10.0 113.196 -178.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.6 ttp180 -55.14 -30.47 59.87 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 125.349 1.46 . . . . 10.0 111.46 174.026 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -56.92 -35.2 68.75 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.896 1.278 . . . . 10.0 112.514 178.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.6 mmm180 -69.45 -41.8 75.77 Favored 'General case' 0 N--CA 1.477 0.908 0 O-C-N 121.319 -0.863 . . . . 10.0 111.357 175.097 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 9.1 t -64.5 -39.05 93.06 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 123.991 0.916 . . . . 10.0 110.983 175.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.07 -44.46 96.63 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.982 1.313 . . . . 10.0 111.479 175.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -61.94 -36.62 81.94 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.182 0.993 . . . . 10.0 111.204 176.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.79 -33.66 68.75 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.186 0.994 . . . . 10.0 112.756 174.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.9 tp -70.42 -42.62 71.35 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.468 1.507 . . . . 10.0 111.199 178.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.5 pttm -57.64 -24.22 55.34 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 115.623 1.712 . . . . 10.0 115.623 -177.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 68.6 p -86.8 -11.93 49.52 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 113.657 0.984 . . . . 10.0 113.657 179.26 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 80.2 mt -70.16 156.49 91.75 Favored Pre-proline 0 CA--C 1.55 0.95 0 C-N-CA 124.088 0.955 . . . . 10.0 110.872 176.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -51.53 115.81 2.32 Favored 'Trans proline' 0 C--N 1.352 0.751 0 C-N-CA 123.55 2.833 . . . . 10.0 112.623 178.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -57.92 -35.65 71.37 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 113.157 0.799 . . . . 10.0 113.157 -177.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -65.27 -38.41 90.19 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.847 0.859 . . . . 10.0 112.065 177.382 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -69.52 -43.36 73.2 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 121.295 -0.878 . . . . 10.0 110.179 175.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 42.7 t -57.91 -47.48 86.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 124.513 1.125 . . . . 10.0 109.821 175.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -65.47 -36.55 84.22 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.537 0.735 . . . . 10.0 112.683 177.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.0 m -61.26 -40.26 93.45 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.486 0.714 . . . . 10.0 111.74 177.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 75.6 mt -68.27 -45.0 83.51 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 123.14 0.576 . . . . 10.0 109.671 175.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 61.1 mt -59.04 -37.56 77.29 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 121.143 -0.973 . . . . 10.0 112.337 176.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.27 -6.42 34.77 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 114.527 1.306 . . . . 10.0 114.527 177.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -127.69 -27.82 2.79 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 114.25 1.204 . . . . 10.0 114.25 -177.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -128.4 -16.31 4.41 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.447 1.499 . . . . 10.0 114.617 -179.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.84 -0.83 42.47 Favored Glycine 0 CA--C 1.54 1.618 0 N-CA-C 116.043 1.177 . . . . 10.0 116.043 179.121 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -157.68 161.28 38.57 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.761 1.624 . . . . 10.0 111.671 179.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 16.8 mt -133.63 136.11 54.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 125.619 1.568 . . . . 10.0 109.614 -179.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -103.23 126.44 50.4 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.908 1.683 . . . . 10.0 109.668 176.102 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 28.0 ttt -138.84 149.44 44.91 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.242 1.017 . . . . 10.0 112.362 -177.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 78.1 m-70 -95.35 134.38 38.2 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.3 1.04 . . . . 10.0 110.219 176.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 38.3 t -54.75 121.84 9.42 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.568 1.547 . . . . 10.0 110.906 178.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -63.06 -9.32 9.94 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 115.101 1.519 . . . . 10.0 115.101 -177.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -105.55 -33.92 7.94 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 115.119 1.525 . . . . 10.0 115.119 -176.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 7.5 p -140.62 -0.57 1.54 Allowed 'General case' 0 CA--C 1.551 0.983 0 N-CA-C 116.194 1.924 . . . . 10.0 116.194 -176.245 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 81.7 -2.8 81.84 Favored Glycine 0 CA--C 1.534 1.26 0 N-CA-C 117.596 1.798 . . . . 10.0 117.596 174.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 15.1 t30 -60.85 135.26 57.73 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 120.063 1.931 . . . . 10.0 111.316 178.4 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 15.7 p80 -82.4 143.0 31.51 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 121.408 -0.807 . . . . 10.0 112.253 -179.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -143.74 157.29 44.5 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 126.229 1.812 . . . . 10.0 108.893 179.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -114.99 146.97 40.68 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.075 0.95 . . . . 10.0 111.968 178.311 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -130.53 126.46 36.87 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 125.534 1.534 . . . . 10.0 109.921 179.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 25.8 m-80 -93.53 171.75 8.7 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.418 1.087 . . . . 10.0 111.407 -178.139 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.38 -39.07 75.28 Favored 'General case' 0 CA--C 1.545 0.75 0 O-C-N 121.723 -0.611 . . . . 10.0 111.234 174.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 67.6 mtt -67.34 -39.25 85.79 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.389 1.076 . . . . 10.0 112.343 177.038 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -62.53 -48.05 81.25 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 118.596 0.635 . . . . 10.0 110.381 177.122 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 48.6 mt -66.57 -37.57 79.85 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 C-N-CA 124.198 0.999 . . . . 10.0 111.172 179.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.07 -36.01 78.47 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 118.932 0.787 . . . . 10.0 111.87 174.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -72.36 -45.12 61.24 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 121.524 -0.735 . . . . 10.0 110.642 175.425 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 73.4 mt -57.85 -41.74 80.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 123.729 0.811 . . . . 10.0 110.085 177.126 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -61.24 -17.26 52.43 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 125.963 1.705 . . . . 10.0 115.168 177.15 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -127.04 0.4 6.54 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 115.182 1.549 . . . . 10.0 115.182 179.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -131.13 -21.67 2.62 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.091 1.357 . . . . 10.0 114.075 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 53.26 17.95 1.14 Allowed 'General case' 0 CA--C 1.555 1.144 0 N-CA-C 117.11 2.263 . . . . 10.0 117.11 177.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 49.7 m . . . . . 0 C--O 1.254 1.295 0 C-N-CA 128.15 2.58 . . . . 10.0 114.995 179.36 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.6 tpt . . . . . 0 N--CA 1.486 1.348 0 N-CA-C 110.363 -0.236 . . . . 10.0 110.363 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -148.91 157.22 43.27 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.239 1.416 . . . . 10.0 111.261 179.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.1 t -62.41 138.14 23.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 125.35 1.46 . . . . 10.0 112.907 -177.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -87.58 50.53 2.02 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 125.518 1.527 . . . . 10.0 111.312 178.02 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -131.52 38.2 3.61 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.623 1.569 . . . . 10.0 112.088 -177.322 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.1 pttm -122.1 4.1 9.85 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 126.356 1.862 . . . . 10.0 115.655 -179.193 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.3 t -156.86 122.79 4.83 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 129.69 3.196 . . . . 10.0 108.617 175.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.2 t -64.63 -18.47 64.96 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 114.181 1.178 . . . . 10.0 114.181 -178.205 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 p -126.77 0.39 6.72 Favored 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 127.059 2.143 . . . . 10.0 114.8 -175.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.3 t 62.37 174.14 0.14 Allowed 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 127.32 2.248 . . . . 10.0 116.751 177.388 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.82 -33.25 64.28 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 127.228 2.211 . . . . 10.0 111.839 176.163 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.5 tm-20 -54.72 -44.11 73.21 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 125.009 1.324 . . . . 10.0 112.948 -178.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -69.58 -37.48 76.99 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 118.875 0.762 . . . . 10.0 112.481 176.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 16.6 t -66.5 -42.03 88.01 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.48 0.712 . . . . 10.0 111.306 176.197 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.98 -45.8 92.03 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.121 1.368 . . . . 10.0 111.423 176.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -62.84 -36.42 83.16 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.374 0.669 . . . . 10.0 111.93 177.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.8 -40.69 75.81 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.425 0.69 . . . . 10.0 112.664 176.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.7 tp -62.39 -41.71 98.86 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.236 1.414 . . . . 10.0 112.421 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.5 pttt -59.44 -20.78 57.73 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 114.456 1.28 . . . . 10.0 114.456 -179.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 29.3 p -71.29 -21.66 62.05 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.048 0.939 . . . . 10.0 113.393 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 88.6 mt -69.76 141.7 90.32 Favored Pre-proline 0 CA--C 1.546 0.819 0 C-N-CA 123.901 0.88 . . . . 10.0 110.563 177.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_exo -52.0 128.82 28.27 Favored 'Trans proline' 0 C--N 1.352 0.712 0 C-N-CA 123.213 2.609 . . . . 10.0 112.552 178.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -55.58 -36.0 66.41 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.692 0.797 . . . . 10.0 113.011 -178.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -62.87 -42.3 99.7 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.682 0.793 . . . . 10.0 112.152 177.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -69.94 -40.03 75.74 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.334 -0.854 . . . . 10.0 111.517 176.364 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.53 -45.53 96.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 123.899 0.88 . . . . 10.0 109.916 176.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -61.09 -39.18 88.96 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.081 0.953 . . . . 10.0 112.228 176.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 75.7 m -59.93 -40.76 90.0 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 119.228 0.922 . . . . 10.0 112.199 176.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 80.9 mt -68.03 -46.19 82.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 123.558 0.743 . . . . 10.0 109.993 177.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 93.8 mt -59.74 -36.65 77.03 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 121.445 -0.785 . . . . 10.0 111.679 177.134 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.01 -11.1 56.05 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 114.909 1.448 . . . . 10.0 114.909 177.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -122.72 -11.73 8.17 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 114.912 1.449 . . . . 10.0 114.912 179.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -141.69 -14.79 0.83 Allowed 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 115.159 1.54 . . . . 10.0 115.159 179.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.73 -4.69 20.62 Favored Glycine 0 CA--C 1.538 1.51 0 C-N-CA 125.108 1.337 . . . . 10.0 115.932 178.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -155.97 168.13 28.21 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.418 1.487 . . . . 10.0 111.986 -179.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 65.2 mt -135.2 129.91 50.77 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 C-N-CA 126.436 1.894 . . . . 10.0 109.885 -177.337 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -91.92 105.06 17.41 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 107.177 -1.416 . . . . 10.0 107.177 173.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.91 153.31 23.74 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 124.68 1.192 . . . . 10.0 111.712 -175.683 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 71.5 m80 -118.89 136.07 54.24 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.349 1.06 . . . . 10.0 111.424 179.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 13.8 t -73.84 86.25 1.73 Allowed 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 127.16 2.184 . . . . 10.0 109.451 178.093 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -51.94 -22.3 3.78 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.08 1.352 . . . . 10.0 114.494 -177.349 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -65.68 -33.48 75.99 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 127.005 2.122 . . . . 10.0 114.277 177.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 31.2 p -139.97 -28.96 0.73 Allowed 'General case' 0 CA--C 1.549 0.928 0 N-CA-C 116.43 2.011 . . . . 10.0 116.43 -178.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.72 -4.49 17.0 Favored Glycine 0 CA--C 1.537 1.45 0 C-N-CA 125.522 1.534 . . . . 10.0 115.748 178.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -64.33 168.14 6.0 Favored 'General case' 0 CA--C 1.552 1.036 0 CA-C-N 119.19 1.495 . . . . 10.0 112.666 179.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -122.19 150.6 42.03 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.573 1.549 . . . . 10.0 112.535 179.087 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -150.96 152.75 34.03 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 125.736 1.614 . . . . 10.0 109.592 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 88.6 mt -106.47 141.81 37.16 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.034 0.533 . . . . 10.0 110.604 178.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -134.89 146.06 48.84 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.847 1.259 . . . . 10.0 110.702 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.3 p30 -127.34 175.69 8.0 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.706 1.603 . . . . 10.0 111.117 179.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.44 -42.49 74.29 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 113.575 0.954 . . . . 10.0 113.575 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 21.3 mmt -70.72 -40.61 72.7 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.511 0.724 . . . . 10.0 112.249 178.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.65 -43.39 98.93 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 121.398 -0.814 . . . . 10.0 110.577 175.724 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 75.3 mt -64.96 -40.38 88.89 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 C-N-CA 124.369 1.068 . . . . 10.0 110.512 177.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.63 -36.9 85.35 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 121.457 -0.777 . . . . 10.0 111.819 175.25 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -68.89 -42.89 76.32 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.379 -0.825 . . . . 10.0 110.368 175.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 51.0 mt -58.11 -42.58 83.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 124.045 0.938 . . . . 10.0 110.117 176.305 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 60.8 mtp180 -66.0 -10.99 44.7 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 126.091 1.756 . . . . 10.0 114.979 176.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 63.0 m-80 -129.95 -5.05 4.51 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 115.435 1.643 . . . . 10.0 115.435 -177.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -140.15 -8.73 1.16 Allowed 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.089 1.356 . . . . 10.0 114.382 -178.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -129.43 21.98 5.59 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 124.493 1.117 . . . . 10.0 112.683 178.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.3 m . . . . . 0 C--O 1.252 1.231 0 C-N-CA 126.993 2.117 . . . . 10.0 113.275 178.779 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.8 tpt . . . . . 0 N--CA 1.487 1.409 0 N-CA-C 110.41 -0.219 . . . . 10.0 110.41 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -133.17 52.79 2.06 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.845 1.258 . . . . 10.0 112.837 -177.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.9 p -147.86 156.42 9.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 124.957 1.303 . . . . 10.0 111.269 178.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -139.16 65.29 1.45 Allowed 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.602 1.561 . . . . 10.0 109.561 178.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -66.31 139.86 58.08 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.169 1.388 . . . . 10.0 113.309 -177.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.6 ptmt -161.68 171.96 17.04 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 127.154 2.181 . . . . 10.0 110.717 175.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 43.2 t -56.56 121.16 9.04 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.084 1.354 . . . . 10.0 109.618 173.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 71.5 p -69.74 -13.36 62.25 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 115.332 1.604 . . . . 10.0 115.332 -175.361 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 25.5 p -121.97 -13.88 8.13 Favored 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 115.028 1.492 . . . . 10.0 115.028 -178.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 31.8 m 55.59 -175.14 0.05 OUTLIER 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 127.2 2.2 . . . . 10.0 115.948 178.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.7 ttp180 -55.11 -29.9 58.62 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 125.084 1.353 . . . . 10.0 113.321 -179.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -52.34 -42.33 63.78 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.251 1.421 . . . . 10.0 113.225 -179.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 49.2 mtt180 -66.53 -42.4 87.28 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-N 119.59 1.086 . . . . 10.0 111.763 175.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 60.5 m -63.25 -39.27 94.13 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 118.674 0.67 . . . . 10.0 111.166 175.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.0 -43.77 98.14 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.958 0.903 . . . . 10.0 111.105 176.145 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -65.02 -42.18 94.61 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.633 -0.667 . . . . 10.0 111.636 176.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.8 -33.55 74.31 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.032 0.933 . . . . 10.0 112.256 175.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 15.8 tp -75.19 -44.98 43.52 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.84 1.656 . . . . 10.0 110.64 177.217 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.19 -24.3 64.67 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 116.566 2.061 . . . . 10.0 116.566 -177.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 42.5 p -78.3 -16.01 58.18 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 113.324 0.861 . . . . 10.0 113.324 178.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 87.2 mt -72.03 155.34 91.95 Favored Pre-proline 0 CA--C 1.547 0.86 0 C-N-CA 124.403 1.081 . . . . 10.0 111.335 177.218 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -54.89 139.28 78.7 Favored 'Trans proline' 0 C--N 1.351 0.701 0 C-N-CA 122.858 2.372 . . . . 10.0 111.55 176.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -57.06 -42.0 79.75 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 121.6 -0.687 . . . . 10.0 112.25 -179.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -62.17 -30.98 71.44 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 113.899 1.074 . . . . 10.0 113.899 177.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -69.23 -36.57 77.33 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.136 0.974 . . . . 10.0 111.182 175.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 98.3 t -75.9 -45.25 37.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 124.465 1.106 . . . . 10.0 110.527 176.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -62.43 -36.49 82.56 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.098 1.359 . . . . 10.0 113.915 -178.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 94.0 p -61.51 -35.29 77.29 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 113.065 0.765 . . . . 10.0 113.065 179.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 8.9 mm -68.52 -38.25 78.9 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 CA-C-N 119.06 0.846 . . . . 10.0 110.591 177.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 64.2 mt -62.1 -30.36 70.96 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.191 -0.943 . . . . 10.0 112.224 175.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.48 -6.2 57.8 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 124.778 1.231 . . . . 10.0 114.051 176.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -124.86 -26.65 3.72 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 114.602 1.334 . . . . 10.0 114.602 -177.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -138.79 -25.96 0.88 Allowed 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 114.25 1.204 . . . . 10.0 114.25 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.06 -2.93 88.01 Favored Glycine 0 CA--C 1.538 1.483 0 N-CA-C 115.667 1.027 . . . . 10.0 115.667 178.056 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -151.17 163.0 39.84 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.938 1.695 . . . . 10.0 111.22 179.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 73.4 mt -131.24 136.47 57.64 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 C-N-CA 126.159 1.783 . . . . 10.0 109.116 179.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -108.05 133.06 52.88 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 125.363 1.465 . . . . 10.0 109.014 176.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 14.9 ttt -136.6 139.32 42.03 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.646 0.779 . . . . 10.0 111.841 -177.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 15.6 t60 -94.64 134.63 37.0 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.656 1.183 . . . . 10.0 111.472 -178.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 41.9 t -80.18 80.8 6.55 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.514 1.526 . . . . 10.0 108.607 175.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -57.23 -20.94 30.37 Favored 'General case' 0 CA--C 1.548 0.867 0 O-C-N 121.321 -0.862 . . . . 10.0 112.423 178.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -68.58 -39.59 80.89 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.544 1.938 . . . . 10.0 113.991 178.039 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 28.1 m -127.06 -28.64 2.86 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 116.303 1.964 . . . . 10.0 116.303 -173.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 116.05 -9.91 18.1 Favored Glycine 0 CA--C 1.54 1.599 0 C-N-CA 125.537 1.542 . . . . 10.0 115.258 179.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 54.9 t30 -75.21 -173.95 2.18 Favored 'General case' 0 CA--C 1.555 1.144 0 C-N-CA 125.336 1.454 . . . . 10.0 112.658 179.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -143.53 163.11 34.09 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.355 1.462 . . . . 10.0 109.742 173.378 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -147.46 153.97 40.22 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 124.739 1.215 . . . . 10.0 109.508 -177.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 94.3 mt -114.45 147.5 39.2 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.892 0.877 . . . . 10.0 110.487 179.022 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -134.59 139.27 45.22 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 125.252 1.421 . . . . 10.0 110.222 179.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.4 p30 -121.71 -178.97 3.96 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.306 1.043 . . . . 10.0 113.091 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.8 -38.33 69.82 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 113.559 0.948 . . . . 10.0 113.559 179.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 65.0 mtt -70.42 -38.71 74.62 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.46 0.704 . . . . 10.0 111.667 177.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -63.21 -46.79 85.33 Favored 'General case' 0 N--CA 1.467 0.411 0 O-C-N 121.706 -0.621 . . . . 10.0 110.367 175.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 48.3 mt -63.83 -38.39 82.22 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 C-N-CA 124.665 1.186 . . . . 10.0 110.856 178.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.69 -36.04 79.73 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 118.765 0.711 . . . . 10.0 111.894 175.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -73.43 -43.67 59.9 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 121.562 -0.711 . . . . 10.0 110.821 174.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 71.8 mt -58.23 -36.42 57.66 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.824 0 O-C-N 120.876 -1.14 . . . . 10.0 110.531 175.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 84.3 mtt180 -64.37 -15.94 61.37 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 126.159 1.783 . . . . 10.0 113.727 175.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . 0.25 12.8 p30 -111.1 25.54 11.65 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 125.499 1.519 . . . . 10.0 111.535 173.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 61.6 t30 62.13 35.13 15.89 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 128.331 2.652 . . . . 10.0 114.844 177.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.9 -13.68 61.97 Favored 'General case' 0 CA--C 1.553 1.067 0 N-CA-C 114.372 1.249 . . . . 10.0 114.372 177.34 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 48.5 m . . . . . 0 C--O 1.25 1.088 0 C-N-CA 126.749 2.019 . . . . 10.0 111.183 179.607 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.9 tpt . . . . . 0 N--CA 1.485 1.282 0 N-CA-C 110.271 -0.27 . . . . 10.0 110.271 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -155.22 151.53 28.23 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.931 1.693 . . . . 10.0 110.699 179.248 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.9 p -64.89 133.99 29.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 123.754 0.822 . . . . 10.0 112.101 -179.194 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -150.16 157.92 43.62 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.304 1.442 . . . . 10.0 110.595 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -136.16 52.01 2.0 Allowed 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 126.86 2.064 . . . . 10.0 110.18 -178.431 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.2 ttmt -134.08 24.45 3.89 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 126.946 2.098 . . . . 10.0 113.158 -173.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 7.7 t -49.82 110.18 0.36 Allowed 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 127.335 2.254 . . . . 10.0 113.464 -177.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.0 t -77.03 -34.46 57.31 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.697 0.799 . . . . 10.0 112.835 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 6.9 p -83.57 -5.52 59.19 Favored 'General case' 0 CA--C 1.555 1.14 0 C-N-CA 126.116 1.766 . . . . 10.0 114.16 179.145 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.6 t 76.15 171.54 0.25 Allowed 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 128.44 2.696 . . . . 10.0 117.68 173.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 32.6 ttt180 -54.66 -30.29 54.94 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 128.307 2.643 . . . . 10.0 112.626 177.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -56.99 -35.22 68.94 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.979 0.912 . . . . 10.0 112.335 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.8 mmp_? -69.23 -45.95 68.56 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.712 0.805 . . . . 10.0 111.665 176.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 8.6 t -63.83 -37.83 88.84 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.386 1.074 . . . . 10.0 111.339 176.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.62 -44.53 93.66 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.721 1.208 . . . . 10.0 110.758 175.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -63.23 -37.6 87.89 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.566 -0.709 . . . . 10.0 111.546 176.009 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.06 -33.83 76.29 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 123.493 0.717 . . . . 10.0 112.0 175.062 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.3 tp -76.06 -43.04 45.6 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.713 1.605 . . . . 10.0 110.742 176.005 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -50.93 -36.6 39.42 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 127.636 2.374 . . . . 10.0 114.605 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 52.0 p -77.77 -13.06 60.01 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 114.547 1.314 . . . . 10.0 114.547 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 78.5 mt -70.63 154.01 94.61 Favored Pre-proline 0 CA--C 1.55 0.976 0 CA-C-N 119.539 1.063 . . . . 10.0 111.194 177.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -53.72 132.19 47.98 Favored 'Trans proline' 0 C--N 1.352 0.719 0 C-N-CA 123.253 2.635 . . . . 10.0 113.083 179.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -57.49 -40.28 78.29 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.782 0.833 . . . . 10.0 113.028 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -63.85 -38.45 91.15 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.64 1.176 . . . . 10.0 112.672 177.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -69.26 -43.59 73.63 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.487 -0.758 . . . . 10.0 110.618 178.023 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 71.0 t -61.47 -48.68 87.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 123.69 0.796 . . . . 10.0 109.905 176.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -60.17 -39.92 88.1 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.012 0.925 . . . . 10.0 112.478 177.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.6 t -60.25 -45.72 92.27 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.801 0.84 . . . . 10.0 112.104 178.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 63.1 mt -65.12 -44.35 95.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 O-C-N 121.438 -0.789 . . . . 10.0 110.366 177.019 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 72.1 mt -59.81 -35.04 73.88 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 121.382 -0.824 . . . . 10.0 112.271 177.301 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.78 -8.44 54.26 Favored 'General case' 0 CA--C 1.55 0.974 0 N-CA-C 114.337 1.236 . . . . 10.0 114.337 177.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -122.68 -23.62 5.07 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 114.571 1.323 . . . . 10.0 114.571 -179.048 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -139.1 -17.57 1.04 Allowed 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 115.233 1.568 . . . . 10.0 115.233 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 77.02 -1.08 64.48 Favored Glycine 0 CA--C 1.539 1.554 0 N-CA-C 116.123 1.209 . . . . 10.0 116.123 178.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -151.39 160.51 43.71 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 118.904 1.352 . . . . 10.0 113.178 179.276 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 95.4 mt -134.24 136.32 53.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 126.494 1.918 . . . . 10.0 110.421 -177.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -96.4 127.15 42.13 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.342 1.457 . . . . 10.0 107.841 172.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 13.4 tpt -137.04 160.36 39.16 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.022 1.329 . . . . 10.0 111.623 -176.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -126.29 140.21 52.7 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.171 0.988 . . . . 10.0 112.114 177.766 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 36.6 t -60.51 116.88 4.66 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 126.599 1.96 . . . . 10.0 110.461 179.119 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -63.74 -13.89 47.67 Favored 'General case' 0 CA--C 1.549 0.934 0 N-CA-C 113.764 1.024 . . . . 10.0 113.764 -179.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -89.13 -37.71 14.86 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.976 1.71 . . . . 10.0 114.519 -177.088 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 23.0 p -139.19 -0.46 1.83 Allowed 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 116.582 2.067 . . . . 10.0 116.582 -177.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 81.32 -2.59 81.28 Favored Glycine 0 CA--C 1.537 1.459 0 N-CA-C 116.251 1.26 . . . . 10.0 116.251 177.008 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -61.49 134.85 57.34 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 118.881 1.34 . . . . 10.0 111.653 178.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -87.24 154.53 20.64 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 113.666 0.987 . . . . 10.0 113.666 -179.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -152.8 159.44 43.07 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 127.189 2.196 . . . . 10.0 108.649 177.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -114.77 145.35 42.2 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.336 1.055 . . . . 10.0 110.512 175.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -132.84 145.23 50.79 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.856 1.262 . . . . 10.0 110.898 -179.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 14.7 m-80 -118.16 170.47 8.84 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.867 1.267 . . . . 10.0 111.152 -177.113 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.72 -37.35 68.31 Favored 'General case' 0 CA--C 1.546 0.808 0 O-C-N 121.481 -0.762 . . . . 10.0 111.933 176.036 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 77.3 mtm -64.73 -39.38 93.53 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.562 1.145 . . . . 10.0 112.228 176.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -69.44 -46.01 67.76 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.455 0.702 . . . . 10.0 110.713 176.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 47.7 mt -62.1 -36.92 76.88 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 C-N-CA 125.15 1.38 . . . . 10.0 111.582 -178.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.65 -38.09 83.71 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 118.338 0.517 . . . . 10.0 111.762 174.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -73.37 -43.75 60.03 Favored 'General case' 0 N--CA 1.467 0.419 0 O-C-N 121.536 -0.728 . . . . 10.0 110.538 175.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 71.7 mt -57.98 -37.36 60.71 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 124.844 1.258 . . . . 10.0 111.352 178.156 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -67.65 -13.29 61.96 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 125.7 1.6 . . . . 10.0 113.173 175.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 64.4 m-80 -119.58 24.13 10.8 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 127.702 2.401 . . . . 10.0 110.389 175.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 26.5 t30 47.31 32.28 2.12 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 128.18 2.592 . . . . 10.0 114.589 -178.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 44.33 37.89 2.22 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 127.203 2.201 . . . . 10.0 114.457 -178.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 70.8 m . . . . . 0 C--O 1.252 1.195 0 C-N-CA 126.215 1.806 . . . . 10.0 113.052 -177.182 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 N--CA 1.478 0.964 0 N-CA-C 112.234 0.457 . . . . 10.0 112.234 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 32.2 ttp85 -55.02 -30.17 58.95 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 124.585 1.154 . . . . 10.0 112.4 176.306 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -56.16 -31.6 63.54 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.407 1.483 . . . . 10.0 112.286 177.555 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -70.88 -45.42 64.42 Favored 'General case' 0 N--CA 1.477 0.877 0 O-C-N 121.15 -0.969 . . . . 10.0 110.272 176.121 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 17.3 t -61.6 -41.94 98.15 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.811 0.844 . . . . 10.0 110.944 174.303 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.49 -43.93 97.62 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.68 1.192 . . . . 10.0 111.785 176.421 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -60.88 -41.34 95.79 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 121.232 -0.917 . . . . 10.0 111.366 176.535 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.46 -33.57 72.76 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.24 1.016 . . . . 10.0 112.638 175.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.0 tp -75.84 -45.28 36.63 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.211 1.404 . . . . 10.0 110.292 176.16 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.8 tmtt? -53.52 -32.06 48.84 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 126.187 1.795 . . . . 10.0 115.147 -178.678 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 43.5 p -81.03 -12.5 59.33 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 114.664 1.357 . . . . 10.0 114.664 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 86.7 mt -69.23 153.0 96.38 Favored Pre-proline 0 CA--C 1.55 0.95 0 CA-C-N 119.661 1.118 . . . . 10.0 111.741 178.288 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -52.79 133.6 51.29 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 123.36 2.707 . . . . 10.0 112.882 178.568 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -56.98 -40.81 77.23 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.201 0.6 . . . . 10.0 112.31 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -64.99 -35.4 81.06 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.617 0.767 . . . . 10.0 112.922 177.692 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -69.74 -47.54 62.65 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 121.47 -0.768 . . . . 10.0 110.988 177.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 88.5 t -61.12 -46.94 95.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 123.544 0.738 . . . . 10.0 110.054 177.217 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -61.44 -39.63 91.53 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.573 0.749 . . . . 10.0 112.314 177.001 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 75.3 m -60.85 -44.21 97.29 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 118.734 0.697 . . . . 10.0 112.219 178.273 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 66.1 mt -65.41 -45.58 92.63 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 CA-C-N 118.675 0.671 . . . . 10.0 110.101 177.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 97.3 mt -60.54 -36.6 78.82 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 121.301 -0.874 . . . . 10.0 111.907 177.036 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.66 -10.96 60.41 Favored 'General case' 0 CA--C 1.55 0.947 0 N-CA-C 114.439 1.274 . . . . 10.0 114.439 177.541 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -121.05 -19.94 7.0 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 114.491 1.293 . . . . 10.0 114.491 -178.639 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -136.41 -14.81 1.7 Allowed 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 114.671 1.359 . . . . 10.0 114.671 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.75 -8.08 30.47 Favored Glycine 0 CA--C 1.536 1.405 0 C-N-CA 124.771 1.177 . . . . 10.0 115.831 178.533 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -156.9 169.78 23.99 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.156 1.383 . . . . 10.0 112.144 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.3 mt -132.85 136.46 55.62 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 C-N-CA 127.354 2.262 . . . . 10.0 108.404 -178.027 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -119.49 106.94 12.72 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 126.216 1.806 . . . . 10.0 108.449 178.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 26.3 ptm -139.93 157.56 45.49 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 114.585 1.328 . . . . 10.0 114.585 -176.107 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -94.42 141.87 28.09 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.929 1.692 . . . . 10.0 112.864 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 48.7 t -58.48 126.75 28.9 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.889 1.676 . . . . 10.0 110.823 176.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -63.15 -12.66 29.22 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 114.334 1.235 . . . . 10.0 114.334 -179.215 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -102.13 -32.29 10.19 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 114.961 1.467 . . . . 10.0 114.961 -177.412 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 26.5 p -138.81 -2.13 1.75 Allowed 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 116.798 2.147 . . . . 10.0 116.798 -176.654 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 78.78 -1.91 71.08 Favored Glycine 0 CA--C 1.539 1.556 0 N-CA-C 116.462 1.345 . . . . 10.0 116.462 177.307 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 -65.71 133.93 52.11 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 119.24 1.52 . . . . 10.0 110.97 178.56 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -82.44 151.16 26.68 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 113.67 0.989 . . . . 10.0 113.67 -177.574 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -149.7 156.52 42.01 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 126.99 2.116 . . . . 10.0 109.28 178.67 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 80.4 mt -112.67 141.85 45.97 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.58 0.752 . . . . 10.0 110.212 178.405 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -135.41 133.62 38.84 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 125.024 1.33 . . . . 10.0 110.44 -179.194 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 24.7 p30 -121.91 175.6 6.22 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.779 1.232 . . . . 10.0 111.416 177.325 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.58 -40.93 72.63 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 113.861 1.06 . . . . 10.0 113.861 -178.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 33.8 mmt -70.6 -39.52 73.77 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.436 0.694 . . . . 10.0 112.239 178.421 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -66.59 -43.31 85.25 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 121.466 -0.772 . . . . 10.0 110.949 177.23 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 66.1 mt -63.33 -35.73 73.35 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 C-N-CA 124.82 1.248 . . . . 10.0 110.116 175.277 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.48 -36.42 84.15 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 121.59 -0.694 . . . . 10.0 111.672 176.17 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -70.47 -41.84 72.22 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 121.371 -0.831 . . . . 10.0 110.477 175.333 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 64.6 mt . . . . . 0 N--CA 1.476 0.855 0 C-N-CA 124.197 0.999 . . . . 10.0 110.294 176.201 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.1 m . . . . . 0 N--CA 1.47 0.537 0 N-CA-C 108.925 -0.768 . . . . 10.0 108.925 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.6 mtp-105 -54.66 -32.92 59.95 Favored 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 112.822 0.675 . . . . 10.0 112.822 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -56.67 -38.4 72.16 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.86 1.664 . . . . 10.0 113.232 178.789 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.8 mmt85 -67.13 -45.53 76.86 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.768 0.827 . . . . 10.0 111.868 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 14.3 t -68.94 -39.45 79.57 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.174 0.989 . . . . 10.0 111.461 175.19 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.64 -41.42 97.48 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.587 1.155 . . . . 10.0 112.242 178.68 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -60.47 -35.48 75.98 Favored 'General case' 0 CA--C 1.541 0.635 0 CA-C-N 119.002 0.819 . . . . 10.0 112.561 178.756 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.71 -33.77 76.37 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 123.684 0.794 . . . . 10.0 112.201 175.677 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.0 tp -76.33 -43.22 42.05 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.629 1.572 . . . . 10.0 110.824 176.08 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.6 ttmt -51.2 -39.91 57.53 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 127.612 2.365 . . . . 10.0 114.184 178.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 42.7 p -73.83 -14.75 61.14 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 114.416 1.265 . . . . 10.0 114.416 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 85.0 mt -68.68 149.3 97.99 Favored Pre-proline 0 CA--C 1.546 0.817 0 CA-C-N 119.546 1.066 . . . . 10.0 110.786 177.26 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -53.19 135.91 60.77 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 123.233 2.622 . . . . 10.0 112.963 179.222 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -56.27 -42.27 77.18 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.45 0.7 . . . . 10.0 112.204 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -65.54 -36.35 83.56 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.113 0.965 . . . . 10.0 112.564 177.72 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -69.55 -44.73 70.31 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.347 -0.845 . . . . 10.0 110.805 177.07 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 65.3 t -61.05 -47.61 92.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 123.888 0.875 . . . . 10.0 109.841 175.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -60.17 -38.57 83.59 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.941 0.896 . . . . 10.0 112.354 176.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.6 t -59.77 -43.16 94.47 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.665 0.786 . . . . 10.0 111.933 177.529 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 71.9 mt -66.96 -46.94 83.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 O-C-N 121.507 -0.746 . . . . 10.0 109.965 176.642 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 97.3 mt -60.05 -34.28 73.21 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.387 -0.821 . . . . 10.0 112.56 178.39 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.9 -11.48 56.27 Favored 'General case' 0 CA--C 1.549 0.934 0 N-CA-C 114.191 1.182 . . . . 10.0 114.191 177.066 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -121.75 -20.13 6.55 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 114.182 1.179 . . . . 10.0 114.182 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -131.13 -14.37 3.42 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 115.361 1.615 . . . . 10.0 115.361 -178.486 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 71.08 -10.14 3.49 Favored Glycine 0 CA--C 1.541 1.693 0 C-N-CA 125.107 1.337 . . . . 10.0 116.085 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -156.78 166.08 34.4 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 126.761 2.024 . . . . 10.0 111.051 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 58.5 mt -129.6 136.26 59.6 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 C-N-CA 125.933 1.693 . . . . 10.0 110.218 -176.453 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -100.45 94.42 6.14 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.153 1.781 . . . . 10.0 108.169 176.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 39.5 tpp -101.27 153.19 19.85 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.154 1.381 . . . . 10.0 111.841 -176.252 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 67.1 m-70 -116.2 139.04 50.76 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.05 0.94 . . . . 10.0 112.115 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 40.5 t -51.67 114.86 1.39 Allowed 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 127.221 2.208 . . . . 10.0 110.254 177.524 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -63.64 -13.31 41.22 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 113.143 0.794 . . . . 10.0 113.143 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -99.49 -37.38 9.21 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 126.292 1.837 . . . . 10.0 114.009 -178.562 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 9.6 m -129.46 -11.88 4.49 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 116.766 2.136 . . . . 10.0 116.766 -173.461 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 82.89 -6.22 71.66 Favored Glycine 0 CA--C 1.539 1.563 0 C-N-CA 124.913 1.244 . . . . 10.0 115.983 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -62.63 143.97 56.74 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 119.447 1.623 . . . . 10.0 111.91 178.529 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 9.1 p-80 -82.78 151.52 26.08 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 113.899 1.074 . . . . 10.0 113.899 -177.526 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -149.86 143.84 25.57 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 127.164 2.185 . . . . 10.0 108.081 178.248 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 80.8 mt -106.6 140.44 39.47 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 122.023 -0.423 . . . . 10.0 111.395 -179.254 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -136.15 121.99 19.91 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.657 1.583 . . . . 10.0 110.629 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 22.1 p30 -97.86 170.42 8.97 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.595 0.758 . . . . 10.0 111.592 177.528 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.07 -40.58 70.51 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 113.797 1.036 . . . . 10.0 113.797 -177.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 91.9 mmm -70.62 -37.89 73.88 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.251 0.62 . . . . 10.0 112.49 178.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -71.12 -42.23 69.49 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 121.356 -0.84 . . . . 10.0 111.166 178.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 78.0 mt -60.39 -37.64 75.05 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 C-N-CA 124.879 1.271 . . . . 10.0 110.4 175.596 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.24 -40.07 92.66 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 122.556 0.343 . . . . 10.0 111.688 178.105 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -72.66 -43.22 63.45 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 121.613 -0.679 . . . . 10.0 111.228 176.123 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 54.3 mt . . . . . 0 N--CA 1.476 0.865 0 C-N-CA 124.362 1.065 . . . . 10.0 111.879 178.995 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.3 t . . . . . 0 N--CA 1.467 0.4 0 CA-C-O 121.474 0.654 . . . . 10.0 112.544 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 73.9 ttt-85 -54.91 -30.67 58.96 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 126.306 1.842 . . . . 10.0 111.594 174.261 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -57.11 -39.11 74.45 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.415 1.486 . . . . 10.0 112.874 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 51.8 mtp85 -69.64 -39.95 76.79 Favored 'General case' 0 N--CA 1.477 0.92 0 O-C-N 121.317 -0.864 . . . . 10.0 111.365 176.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 11.6 t -66.29 -39.48 89.41 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.549 0.74 . . . . 10.0 111.43 176.096 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.55 -47.42 85.6 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.074 1.35 . . . . 10.0 111.014 177.278 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -61.45 -38.32 86.77 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.767 0.827 . . . . 10.0 111.894 177.539 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.73 -33.53 75.84 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.818 0.847 . . . . 10.0 113.147 176.545 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.4 tp -76.14 -45.33 34.14 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.297 1.039 . . . . 10.0 111.088 177.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.2 pttt -57.26 -28.89 63.37 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 115.102 1.519 . . . . 10.0 115.102 -176.436 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 41.1 p -76.96 -11.44 59.81 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 114.328 1.233 . . . . 10.0 114.328 -179.084 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 77.0 mt -69.06 154.91 94.55 Favored Pre-proline 0 CA--C 1.551 0.997 0 CA-C-N 119.243 0.929 . . . . 10.0 112.43 178.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -50.2 132.83 34.72 Favored 'Trans proline' 0 C--N 1.353 0.775 0 C-N-CA 124.283 3.322 . . . . 10.0 114.257 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 -57.28 -39.84 76.52 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.096 0.958 . . . . 10.0 113.486 -178.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -64.93 -41.76 95.25 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.133 0.573 . . . . 10.0 112.315 179.717 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -67.62 -43.68 79.82 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 121.372 -0.83 . . . . 10.0 111.287 178.055 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 55.2 t -60.41 -48.78 86.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 123.774 0.83 . . . . 10.0 110.139 176.731 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -61.73 -42.5 99.04 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 112.826 0.676 . . . . 10.0 112.826 178.348 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.6 m -59.7 -42.96 94.19 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.096 0.862 . . . . 10.0 113.068 179.154 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 64.6 mt -66.79 -47.11 83.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 CA-C-N 119.04 0.836 . . . . 10.0 110.144 178.035 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 91.0 mt -60.41 -37.33 80.51 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.417 -0.802 . . . . 10.0 112.328 178.304 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.39 -10.83 55.05 Favored 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 114.745 1.387 . . . . 10.0 114.745 178.152 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -124.46 -22.78 4.58 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 114.443 1.275 . . . . 10.0 114.443 -179.586 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -127.45 -15.46 5.09 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 114.799 1.407 . . . . 10.0 114.799 -179.075 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 71.01 0.8 36.66 Favored Glycine 0 CA--C 1.539 1.558 0 CA-C-N 119.401 1.0 . . . . 10.0 115.445 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -152.48 158.96 43.33 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 125.364 1.466 . . . . 10.0 112.963 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 70.7 mt -134.44 136.48 52.8 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 C-N-CA 126.713 2.005 . . . . 10.0 107.909 175.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -110.32 134.77 51.95 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.982 1.313 . . . . 10.0 108.524 176.124 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 45.8 tpp -131.21 147.87 52.64 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.159 0.984 . . . . 10.0 111.299 -177.656 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 56.7 t-80 -94.93 137.37 34.08 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.907 1.283 . . . . 10.0 113.009 -177.66 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 49.0 t -81.83 84.81 6.77 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 126.995 2.118 . . . . 10.0 108.794 175.165 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -60.29 -20.38 58.9 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 121.481 -0.762 . . . . 10.0 112.667 179.382 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -68.09 -36.21 79.41 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.875 1.67 . . . . 10.0 113.764 177.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 11.8 m -130.12 -29.68 2.04 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 116.517 2.043 . . . . 10.0 116.517 -173.183 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 100.95 47.06 1.65 Allowed Glycine 0 CA--C 1.536 1.347 0 CA-C-N 119.088 0.858 . . . . 10.0 112.951 -178.391 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -132.73 -177.85 4.68 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 126.472 1.909 . . . . 10.0 110.607 -178.603 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -142.17 160.43 40.25 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 120.517 -1.364 . . . . 10.0 111.975 177.079 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -148.65 148.22 29.83 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 125.476 1.51 . . . . 10.0 108.737 -178.395 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -114.21 144.28 43.46 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.158 0.983 . . . . 10.0 112.625 -179.194 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -135.91 152.88 51.46 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 126.699 2.0 . . . . 10.0 111.266 -174.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 26.9 m120 -121.53 171.99 8.41 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.334 1.454 . . . . 10.0 110.696 178.562 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.45 -43.55 75.55 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.597 0.962 . . . . 10.0 113.597 -178.249 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.07 -37.14 75.4 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.324 0.649 . . . . 10.0 112.643 177.265 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -69.74 -42.95 73.27 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 119.18 0.9 . . . . 10.0 110.792 178.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 87.9 mt -61.17 -38.08 78.9 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 C-N-CA 124.738 1.215 . . . . 10.0 110.044 175.226 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.19 -40.76 98.42 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.828 -0.545 . . . . 10.0 111.609 176.779 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -71.05 -39.52 72.21 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 121.614 -0.679 . . . . 10.0 111.303 176.302 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 44.5 mt . . . . . 0 CA--C 1.544 0.747 0 O-C-N 121.203 -0.936 . . . . 10.0 109.937 174.01 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.7 t . . . . . 0 CA--C 1.542 0.669 0 N-CA-C 115.52 1.674 . . . . 10.0 115.52 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 54.5 ttt85 -55.57 -34.48 64.8 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.575 1.55 . . . . 10.0 111.039 174.725 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -58.61 -48.6 80.45 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.753 0.821 . . . . 10.0 112.891 -179.404 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 -76.28 -32.6 58.88 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 121.197 -0.939 . . . . 10.0 112.135 175.567 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 6.4 t -61.22 -38.47 86.71 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 118.944 0.793 . . . . 10.0 110.701 174.176 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.56 -39.13 84.94 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.466 1.106 . . . . 10.0 110.563 173.58 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -61.36 -35.1 76.52 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.323 1.049 . . . . 10.0 111.753 175.716 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.51 -33.46 75.73 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 124.35 1.06 . . . . 10.0 111.874 174.208 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.3 tp -76.07 -43.1 45.19 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.822 1.649 . . . . 10.0 110.645 176.504 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 27.3 ttmt -49.11 -37.09 20.54 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 127.993 2.517 . . . . 10.0 114.309 178.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 52.1 p -77.68 -13.1 60.0 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 114.495 1.295 . . . . 10.0 114.495 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 94.5 mt -71.03 151.5 94.93 Favored Pre-proline 0 CA--C 1.548 0.901 0 CA-C-N 119.592 1.087 . . . . 10.0 111.446 177.68 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -53.67 132.18 47.83 Favored 'Trans proline' 0 C--N 1.351 0.706 0 C-N-CA 123.323 2.682 . . . . 10.0 112.993 178.199 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -55.27 -43.64 74.91 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.975 0.91 . . . . 10.0 112.746 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -63.59 -37.99 89.41 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.931 0.892 . . . . 10.0 112.45 178.434 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -69.36 -45.1 70.18 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 121.256 -0.902 . . . . 10.0 110.982 177.373 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 62.5 t -59.39 -48.77 85.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 123.858 0.863 . . . . 10.0 110.076 176.498 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -62.15 -39.75 93.68 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.804 0.842 . . . . 10.0 112.441 177.231 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.4 t -59.88 -45.67 91.75 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.017 0.927 . . . . 10.0 112.077 178.345 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 75.1 mt -63.46 -44.96 99.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 O-C-N 121.672 -0.643 . . . . 10.0 110.557 177.367 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 92.5 mt -60.13 -38.7 83.86 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.363 -0.836 . . . . 10.0 111.813 176.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.57 -10.21 33.33 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 114.799 1.407 . . . . 10.0 114.799 178.202 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -124.77 -12.79 7.07 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 115.061 1.504 . . . . 10.0 115.061 179.008 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -143.59 -13.83 0.67 Allowed 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 115.676 1.732 . . . . 10.0 115.676 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 71.89 -3.42 20.3 Favored Glycine 0 CA--C 1.539 1.589 0 N-CA-C 116.404 1.322 . . . . 10.0 116.404 178.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -151.42 163.09 39.75 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 119.172 1.486 . . . . 10.0 113.25 179.384 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.6 mt -138.12 136.24 44.81 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 C-N-CA 127.279 2.232 . . . . 10.0 108.821 -178.21 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -104.69 132.18 51.24 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.195 0.998 . . . . 10.0 108.858 174.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 90.8 mmm -131.06 153.79 48.93 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 125.848 1.659 . . . . 10.0 110.637 -176.651 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 19.9 p-80 -128.63 142.01 51.17 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 123.686 0.795 . . . . 10.0 112.641 179.259 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 87.7 m -64.22 109.03 1.73 Allowed 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 125.845 1.658 . . . . 10.0 110.9 177.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -62.05 -23.1 66.27 Favored 'General case' 0 CA--C 1.553 1.063 0 CA-C-O 122.171 0.986 . . . . 10.0 110.663 172.606 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -66.56 -43.46 84.99 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 129.776 3.231 . . . . 10.0 114.95 179.47 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 31.8 p -141.5 -14.74 0.85 Allowed 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 117.759 2.503 . . . . 10.0 117.759 -173.429 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 96.31 -3.05 63.63 Favored Glycine 0 CA--C 1.539 1.541 0 C-N-CA 124.728 1.156 . . . . 10.0 115.797 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -66.42 165.61 13.97 Favored 'General case' 0 CA--C 1.553 1.086 0 CA-C-N 119.372 1.586 . . . . 10.0 111.379 177.016 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -124.71 153.73 41.91 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.441 1.497 . . . . 10.0 112.373 -179.505 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -151.19 148.05 27.76 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 126.313 1.845 . . . . 10.0 108.557 177.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.4 pp -114.14 142.61 46.01 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 123.56 0.744 . . . . 10.0 110.598 178.293 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -129.38 138.44 51.52 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 125.46 1.504 . . . . 10.0 109.909 -177.003 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.6 m-80 -107.03 174.82 5.72 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.587 1.555 . . . . 10.0 111.248 -176.395 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.18 -37.49 67.12 Favored 'General case' 0 CA--C 1.547 0.845 0 O-C-N 120.981 -1.074 . . . . 10.0 111.961 177.066 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 24.6 ptp -64.9 -37.26 87.05 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.084 0.953 . . . . 10.0 112.634 174.677 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -65.99 -47.79 73.35 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 121.269 -0.894 . . . . 10.0 110.487 176.62 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.8 mp -59.96 -40.22 82.38 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 C-N-CA 123.52 0.728 . . . . 10.0 110.387 176.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.96 -37.73 80.44 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.567 0.747 . . . . 10.0 111.997 176.356 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -73.56 -41.05 63.44 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 121.052 -1.03 . . . . 10.0 111.36 174.724 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 63.7 mt . . . . . 0 N--CA 1.472 0.665 0 C-N-CA 124.04 0.936 . . . . 10.0 111.408 179.497 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.9 m . . . . . 0 N--CA 1.471 0.61 0 N-CA-C 114.14 1.163 . . . . 10.0 114.14 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 39.7 ttt180 -55.19 -39.84 70.06 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 125.951 1.701 . . . . 10.0 112.146 175.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -55.05 -45.51 75.27 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.809 1.644 . . . . 10.0 112.469 -179.264 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -60.24 -43.34 96.18 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.056 0.942 . . . . 10.0 112.374 178.561 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 12.2 t -72.71 -41.46 65.22 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-O 121.084 0.469 . . . . 10.0 111.935 176.783 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.35 -39.97 92.55 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.966 0.906 . . . . 10.0 111.966 178.731 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -57.81 -40.34 79.74 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.093 0.957 . . . . 10.0 112.335 177.483 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.5 -33.92 74.62 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 123.777 0.831 . . . . 10.0 112.471 176.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.4 tp -76.67 -45.34 30.11 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 125.054 1.342 . . . . 10.0 109.978 174.39 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.98 -32.52 54.25 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 126.859 2.064 . . . . 10.0 115.627 -178.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 37.3 p -68.81 -19.72 64.29 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 113.848 1.055 . . . . 10.0 113.848 178.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 87.9 mt -72.02 149.48 92.28 Favored Pre-proline 0 CA--C 1.549 0.93 0 C-N-CA 123.924 0.89 . . . . 10.0 110.743 176.743 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -54.16 136.53 68.14 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 122.913 2.409 . . . . 10.0 112.296 178.038 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -56.82 -41.38 77.72 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 112.805 0.669 . . . . 10.0 112.805 -179.143 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -61.57 -38.72 88.55 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.754 0.822 . . . . 10.0 112.324 177.75 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -67.76 -45.64 74.33 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 121.554 -0.716 . . . . 10.0 110.585 177.119 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 72.7 t -60.7 -47.87 91.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 123.983 0.913 . . . . 10.0 110.728 177.008 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -64.03 -34.8 78.83 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.568 0.747 . . . . 10.0 112.93 179.489 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 31.3 p -60.47 -35.7 76.5 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 112.964 0.728 . . . . 10.0 112.964 178.707 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 62.7 mt -68.71 -44.09 82.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 C-N-CA 123.5 0.72 . . . . 10.0 109.676 176.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 87.0 mt -61.83 -33.78 74.76 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 121.165 -0.96 . . . . 10.0 111.677 176.795 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.92 -5.71 49.59 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 124.967 1.307 . . . . 10.0 114.333 176.783 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -126.37 -29.82 2.93 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 114.38 1.252 . . . . 10.0 114.38 -176.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -128.19 -19.06 3.98 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.954 1.701 . . . . 10.0 113.899 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 79.26 -5.51 59.51 Favored Glycine 0 CA--C 1.537 1.415 0 N-CA-C 115.887 1.115 . . . . 10.0 115.887 178.447 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -154.14 161.13 42.08 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.831 1.252 . . . . 10.0 112.375 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 79.2 mt -129.79 136.85 58.11 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 C-N-CA 127.336 2.254 . . . . 10.0 109.057 -179.04 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -113.48 132.36 55.7 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.643 1.577 . . . . 10.0 109.269 177.273 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 22.7 mmt -136.01 149.01 48.66 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.048 1.339 . . . . 10.0 111.218 -179.037 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -94.96 137.64 33.75 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.107 0.963 . . . . 10.0 110.977 177.105 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 51.1 t -77.07 92.06 3.72 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 126.017 1.727 . . . . 10.0 109.288 177.472 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -60.76 -20.85 62.23 Favored 'General case' 0 CA--C 1.549 0.908 0 O-C-N 121.139 -0.976 . . . . 10.0 112.813 179.464 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -74.77 -41.23 60.43 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.771 2.028 . . . . 10.0 114.294 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.8 m -123.43 -19.07 6.01 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 115.916 1.821 . . . . 10.0 115.916 -174.388 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 97.26 -0.17 60.01 Favored Glycine 0 CA--C 1.541 1.707 0 C-N-CA 125.592 1.568 . . . . 10.0 114.128 -177.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -79.2 -164.96 0.69 Allowed 'General case' 0 CA--C 1.558 1.254 0 C-N-CA 126.825 2.05 . . . . 10.0 112.86 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -133.82 163.71 28.87 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 127.419 2.288 . . . . 10.0 111.065 177.543 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -147.06 142.89 27.91 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 126.849 2.06 . . . . 10.0 107.795 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 91.1 mt -114.63 141.76 47.36 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.169 0.988 . . . . 10.0 110.05 177.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -135.4 141.76 45.54 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.257 1.023 . . . . 10.0 112.002 -178.32 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -126.6 172.83 9.93 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 126.488 1.915 . . . . 10.0 109.796 176.247 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.21 -40.1 70.41 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.622 1.169 . . . . 10.0 113.222 179.092 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 5.0 ppp? -65.84 -37.35 85.97 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 118.978 0.808 . . . . 10.0 112.651 177.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -72.21 -46.88 54.38 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.334 1.054 . . . . 10.0 110.769 177.441 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 65.7 mt -60.4 -33.14 53.02 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 C-N-CA 126.322 1.849 . . . . 10.0 111.696 178.096 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.83 -34.48 67.79 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 118.634 0.652 . . . . 10.0 111.894 174.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 65.5 mt-10 -73.83 -44.41 55.76 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 121.391 -0.818 . . . . 10.0 110.526 174.395 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 96.4 mt . . . . . 0 N--CA 1.478 0.966 0 C-N-CA 125.064 1.345 . . . . 10.0 111.438 178.251 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.0 m . . . . . 0 N--CA 1.48 1.031 0 N-CA-C 113.834 1.05 . . . . 10.0 113.834 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 58.7 ttt85 -54.83 -33.28 61.46 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 126.341 1.856 . . . . 10.0 113.072 178.568 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -56.26 -38.23 70.86 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.863 1.265 . . . . 10.0 112.526 -179.351 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 64.0 mtp85 -68.13 -41.27 81.92 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 121.684 -0.635 . . . . 10.0 111.421 176.434 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 8.2 t -66.53 -39.94 88.86 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.439 0.696 . . . . 10.0 111.202 176.609 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.16 -44.29 95.92 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.794 1.238 . . . . 10.0 110.913 176.264 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -59.55 -41.57 90.4 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.878 0.871 . . . . 10.0 111.621 176.502 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.68 -34.23 77.73 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 112.821 0.675 . . . . 10.0 112.821 176.727 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 19.4 tp -77.94 -46.24 21.73 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.748 1.219 . . . . 10.0 112.099 177.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.9 pttp -65.67 -24.54 67.03 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 114.876 1.435 . . . . 10.0 114.876 -177.384 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.5 p -78.32 -11.91 59.97 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.004 0.922 . . . . 10.0 113.299 178.739 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 91.9 mt -73.58 158.95 85.68 Favored Pre-proline 0 CA--C 1.55 0.946 0 C-N-CA 124.533 1.133 . . . . 10.0 110.286 173.782 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -52.09 123.92 13.61 Favored 'Trans proline' 0 CA--C 1.538 0.702 0 C-N-CA 123.14 2.56 . . . . 10.0 111.709 176.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -55.45 -40.56 71.72 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 113.194 0.813 . . . . 10.0 113.194 -177.026 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -62.35 -35.91 80.58 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.936 0.894 . . . . 10.0 112.77 177.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -68.41 -41.54 80.28 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 121.211 -0.931 . . . . 10.0 110.628 177.175 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 96.1 t -64.26 -47.97 87.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 124.19 0.996 . . . . 10.0 109.722 175.659 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -61.34 -35.53 77.66 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.231 1.012 . . . . 10.0 113.035 178.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 74.1 m -59.88 -39.7 86.17 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.609 0.764 . . . . 10.0 112.31 178.563 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 53.9 mt -68.75 -44.81 81.92 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 CA-C-N 118.521 0.6 . . . . 10.0 109.783 176.73 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 98.4 mt -59.53 -37.69 79.04 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.472 -0.767 . . . . 10.0 111.947 177.588 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.16 -8.71 48.09 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 124.897 1.279 . . . . 10.0 114.421 177.184 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -125.28 -20.67 4.77 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 114.68 1.363 . . . . 10.0 114.68 -179.136 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -138.68 -13.87 1.26 Allowed 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 115.174 1.546 . . . . 10.0 115.174 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 75.65 -7.54 25.67 Favored Glycine 0 CA--C 1.539 1.544 0 N-CA-C 116.411 1.324 . . . . 10.0 116.411 178.484 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -151.44 160.74 43.58 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 119.109 1.454 . . . . 10.0 113.811 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 66.6 mt -138.65 125.73 26.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 C-N-CA 127.128 2.171 . . . . 10.0 109.681 -177.395 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -92.94 115.92 28.57 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 107.671 -1.233 . . . . 10.0 107.671 173.014 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 16.9 tpt -107.42 144.6 34.1 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.588 1.155 . . . . 10.0 111.673 -176.632 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 31.7 t-80 -94.82 132.67 39.37 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.732 1.213 . . . . 10.0 111.896 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 8.9 t -80.9 75.09 7.86 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 126.087 1.755 . . . . 10.0 109.098 176.219 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -52.57 -21.12 3.52 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 114.623 1.342 . . . . 10.0 114.623 -177.156 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -66.14 -36.25 82.64 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.943 1.697 . . . . 10.0 114.513 177.53 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 26.5 p -137.84 -20.93 1.13 Allowed 'General case' 0 CA--C 1.55 0.947 0 N-CA-C 116.847 2.165 . . . . 10.0 116.847 -179.367 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.82 -4.03 16.94 Favored Glycine 0 CA--C 1.536 1.355 0 CA-C-N 120.176 1.353 . . . . 10.0 116.285 175.568 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -75.03 -174.09 2.15 Favored 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 124.517 1.127 . . . . 10.0 111.751 178.525 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 3.8 p80 -143.64 160.91 39.84 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 120.355 -1.466 . . . . 10.0 111.105 176.016 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -148.99 136.24 20.1 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 125.356 1.463 . . . . 10.0 108.531 -179.392 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 62.2 tp -95.8 140.94 29.86 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.72 0.808 . . . . 10.0 109.837 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -132.95 141.97 48.62 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 125.864 1.666 . . . . 10.0 109.647 -179.173 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 25.8 p30 -121.94 174.17 7.06 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.31 1.044 . . . . 10.0 111.513 177.577 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.52 -38.5 69.32 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 113.691 0.997 . . . . 10.0 113.691 -179.564 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 21.1 mmt -70.36 -39.51 74.59 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.322 0.649 . . . . 10.0 112.112 179.223 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -71.88 -42.26 67.03 Favored 'General case' 0 N--CA 1.469 0.502 0 O-C-N 121.517 -0.739 . . . . 10.0 111.589 178.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 71.4 mt -64.48 -33.81 65.4 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 C-N-CA 124.508 1.123 . . . . 10.0 110.517 176.164 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.09 -35.03 77.44 Favored 'General case' 0 CA--C 1.544 0.748 0 O-C-N 121.658 -0.651 . . . . 10.0 111.933 175.641 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -73.57 -40.78 63.66 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 121.5 -0.75 . . . . 10.0 110.693 174.411 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 74.8 mt . . . . . 0 N--CA 1.477 0.911 0 O-C-N 120.764 -1.21 . . . . 10.0 109.932 176.271 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 N--CA 1.473 0.69 0 N-CA-C 116.812 2.153 . . . . 10.0 116.812 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.53 -32.55 72.6 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 127.101 2.161 . . . . 10.0 111.229 173.202 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -59.92 -38.32 82.0 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.201 1.0 . . . . 10.0 112.349 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 85.6 mtt-85 -64.23 -45.56 87.66 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.383 0.673 . . . . 10.0 111.478 178.016 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 21.4 t -66.48 -40.44 89.31 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 122.833 0.453 . . . . 10.0 112.09 175.186 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.15 -40.92 95.65 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.476 0.71 . . . . 10.0 111.126 178.386 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -61.0 -38.83 87.45 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.453 -0.779 . . . . 10.0 112.041 175.37 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.24 -34.09 77.54 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 123.519 0.728 . . . . 10.0 112.187 176.153 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.2 tp -72.46 -40.21 67.18 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.259 1.424 . . . . 10.0 109.719 174.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.4 ttpp -55.99 -17.22 6.21 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 126.917 2.087 . . . . 10.0 116.214 178.762 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 76.9 p -110.64 -2.82 16.18 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.748 1.219 . . . . 10.0 114.144 -177.434 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 90.1 mt -64.07 147.83 96.07 Favored Pre-proline 0 CA--C 1.549 0.926 0 CA-C-O 118.216 -0.897 . . . . 10.0 110.679 175.816 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -51.24 127.57 22.48 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 123.256 2.638 . . . . 10.0 112.284 179.082 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -59.74 -37.41 78.89 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 113.327 0.862 . . . . 10.0 113.327 -177.102 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -66.64 -38.77 87.6 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.605 0.762 . . . . 10.0 111.763 176.376 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -66.58 -45.85 77.9 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.325 -0.859 . . . . 10.0 110.388 176.681 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 47.0 t -59.23 -45.34 93.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 123.898 0.879 . . . . 10.0 110.322 175.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -60.01 -42.55 94.55 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.419 0.688 . . . . 10.0 112.202 177.09 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 42.5 m -61.04 -43.26 99.15 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 118.835 0.743 . . . . 10.0 111.911 176.553 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 79.5 mt -63.48 -46.9 93.91 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 CA-C-N 118.743 0.701 . . . . 10.0 110.075 176.574 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 63.4 mt -61.17 -33.36 73.31 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 121.176 -0.953 . . . . 10.0 112.746 177.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -74.68 -10.14 59.24 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 114.634 1.346 . . . . 10.0 114.634 177.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -126.51 -25.09 3.49 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 114.821 1.415 . . . . 10.0 114.821 -178.078 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -129.41 -23.92 2.87 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.286 1.435 . . . . 10.0 113.793 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 68.47 4.98 41.1 Favored Glycine 0 CA--C 1.539 1.564 0 N-CA-C 116.038 1.175 . . . . 10.0 116.038 178.599 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -151.09 161.6 42.43 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 126.263 1.825 . . . . 10.0 110.211 -179.318 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 97.2 mt -129.07 136.5 59.49 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 C-N-CA 125.532 1.533 . . . . 10.0 110.599 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -102.63 127.77 49.59 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.885 1.674 . . . . 10.0 106.949 171.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 9.9 tpt -129.16 143.43 50.85 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 124.161 0.984 . . . . 10.0 110.967 -176.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -94.35 139.88 30.52 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.174 0.99 . . . . 10.0 112.156 -177.389 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 13.3 t -85.04 84.06 7.84 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 126.069 1.748 . . . . 10.0 110.112 177.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -59.74 -13.83 11.81 Favored 'General case' 0 CA--C 1.551 0.992 0 O-C-N 120.947 -1.096 . . . . 10.0 113.937 179.274 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -70.91 -37.82 72.96 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.927 1.691 . . . . 10.0 113.908 177.393 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 22.3 p -144.89 -8.79 0.62 Allowed 'General case' 0 CA--C 1.553 1.074 0 N-CA-C 117.124 2.268 . . . . 10.0 117.124 -178.649 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 108.62 -3.0 32.34 Favored Glycine 0 CA--C 1.537 1.442 0 N-CA-C 116.362 1.305 . . . . 10.0 116.362 175.263 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -77.09 -168.32 1.06 Allowed 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 125.132 1.373 . . . . 10.0 112.965 178.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -141.07 164.11 31.17 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 126.486 1.914 . . . . 10.0 112.354 -177.231 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -145.21 146.57 31.78 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 125.835 1.654 . . . . 10.0 108.279 178.477 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 92.5 mt -114.41 140.15 48.92 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.071 0.548 . . . . 10.0 109.567 176.26 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -135.8 127.46 28.99 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.633 1.173 . . . . 10.0 110.326 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -88.55 170.09 11.17 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.642 0.777 . . . . 10.0 110.786 178.336 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.74 -42.73 68.48 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.188 -0.945 . . . . 10.0 113.395 -178.305 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.7 -36.95 81.59 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 112.679 0.622 . . . . 10.0 112.679 176.513 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -68.09 -45.5 73.58 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.116 0.966 . . . . 10.0 110.313 178.007 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 57.0 mt -59.3 -41.14 83.22 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 C-N-CA 125.353 1.461 . . . . 10.0 109.931 175.053 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.28 -45.95 90.99 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 112.889 0.7 . . . . 10.0 112.889 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -70.05 -36.46 75.02 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 119.676 1.125 . . . . 10.0 111.598 177.708 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 54.3 mt . . . . . 0 N--CA 1.469 0.488 0 O-C-N 121.485 -0.76 . . . . 10.0 110.519 176.192 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 24.9 m . . . . . 0 N--CA 1.472 0.659 0 N-CA-C 115.481 1.66 . . . . 10.0 115.481 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.3 ttp180 -54.93 -30.21 58.07 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.502 1.521 . . . . 10.0 114.165 -177.654 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -55.03 -39.83 69.56 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.552 1.141 . . . . 10.0 113.295 -178.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.3 mmm180 -70.35 -37.11 74.58 Favored 'General case' 0 N--CA 1.478 0.972 0 O-C-N 121.117 -0.989 . . . . 10.0 112.147 175.722 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 7.1 t -67.43 -38.06 83.98 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 123.961 0.904 . . . . 10.0 111.329 176.667 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.06 -47.32 85.21 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.355 1.462 . . . . 10.0 111.088 176.366 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -60.59 -35.8 77.0 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.075 0.95 . . . . 10.0 111.87 177.031 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.71 -33.82 69.07 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 113.056 0.762 . . . . 10.0 113.056 176.327 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.4 tp -76.43 -46.05 28.8 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.525 1.13 . . . . 10.0 111.83 178.491 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.64 -22.28 66.93 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 115.724 1.749 . . . . 10.0 115.724 -176.443 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.6 p -77.6 -12.25 59.95 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 113.594 0.961 . . . . 10.0 113.594 177.533 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 91.0 mt -65.95 156.38 84.06 Favored Pre-proline 0 CA--C 1.552 1.035 0 CA-C-N 119.235 0.925 . . . . 10.0 111.201 176.38 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -49.44 132.4 29.55 Favored 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 123.755 2.97 . . . . 10.0 114.083 -179.423 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -54.99 -44.83 74.83 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.378 1.071 . . . . 10.0 113.211 -178.547 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -66.41 -39.45 88.98 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.617 0.767 . . . . 10.0 112.169 178.674 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -64.36 -45.12 89.17 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 121.557 -0.714 . . . . 10.0 111.062 177.762 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 53.7 t -62.97 -47.79 91.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 123.854 0.862 . . . . 10.0 110.448 176.335 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -57.62 -40.56 79.45 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.025 0.93 . . . . 10.0 113.335 179.4 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 41.8 m -59.55 -41.5 90.25 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 118.879 0.763 . . . . 10.0 112.873 179.052 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.9 mm -67.85 -44.53 85.33 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 CA-C-N 119.147 0.885 . . . . 10.0 110.561 177.687 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 83.6 mt -63.33 -30.7 71.79 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 121.282 -0.886 . . . . 10.0 112.586 178.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.58 -9.29 58.45 Favored 'General case' 0 CA--C 1.55 0.965 0 N-CA-C 114.439 1.274 . . . . 10.0 114.439 176.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -127.58 -26.94 2.92 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 114.794 1.405 . . . . 10.0 114.794 -178.06 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -129.1 -23.2 3.05 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.368 1.467 . . . . 10.0 113.824 -179.356 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 75.13 2.06 65.27 Favored Glycine 0 CA--C 1.538 1.481 0 N-CA-C 116.031 1.173 . . . . 10.0 116.031 178.212 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -151.08 154.53 37.15 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 118.753 1.276 . . . . 10.0 113.928 -179.235 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 65.1 mt -138.09 136.21 44.89 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 C-N-CA 126.632 1.973 . . . . 10.0 109.054 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -105.82 137.67 43.3 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.022 1.329 . . . . 10.0 108.732 175.195 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 14.7 tpt -132.67 151.04 52.07 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.288 1.035 . . . . 10.0 111.3 -177.666 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 22.3 t60 -95.06 133.62 38.65 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.087 1.355 . . . . 10.0 113.605 -176.507 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 48.1 t -83.4 76.76 9.89 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 126.298 1.839 . . . . 10.0 108.445 172.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -62.22 -16.83 55.91 Favored 'General case' 0 CA--C 1.549 0.915 0 O-C-N 121.257 -0.902 . . . . 10.0 112.489 178.463 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -64.29 -39.83 94.73 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 127.184 2.194 . . . . 10.0 113.1 176.763 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 34.1 m -124.23 -35.95 2.73 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 115.138 1.532 . . . . 10.0 115.138 -175.002 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 110.22 46.69 0.86 Allowed Glycine 0 CA--C 1.535 1.289 0 C-N-CA 124.278 0.942 . . . . 10.0 112.467 -178.308 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -136.88 -172.0 3.07 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 126.053 1.741 . . . . 10.0 110.735 -176.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.4 p80 -144.98 162.58 36.55 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 120.674 -1.266 . . . . 10.0 110.754 176.121 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -147.82 142.81 26.97 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 124.948 1.299 . . . . 10.0 108.927 -178.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 57.9 tp -105.96 142.1 36.24 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.719 1.208 . . . . 10.0 110.417 -177.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -135.87 150.44 49.37 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.266 1.427 . . . . 10.0 111.214 -178.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -121.16 174.04 6.93 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.955 1.302 . . . . 10.0 109.882 177.012 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.41 -38.79 69.39 Favored 'General case' 0 CA--C 1.545 0.756 0 O-C-N 121.679 -0.638 . . . . 10.0 112.634 179.525 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -65.73 -40.32 92.04 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.66 1.184 . . . . 10.0 112.096 178.062 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -67.81 -47.91 67.75 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.662 0.785 . . . . 10.0 110.302 177.038 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 69.0 mt -59.75 -39.5 79.96 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 C-N-CA 125.277 1.431 . . . . 10.0 110.911 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.81 -40.06 87.15 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.281 0.633 . . . . 10.0 112.373 176.189 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -73.38 -41.92 62.8 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 121.442 -0.786 . . . . 10.0 111.099 176.29 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 57.0 mt . . . . . 0 N--CA 1.475 0.823 0 C-N-CA 124.291 1.036 . . . . 10.0 110.645 177.787 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 46.9 t . . . . . 0 N--CA 1.471 0.586 0 N-CA-C 113.63 0.974 . . . . 10.0 113.63 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 41.9 ttt-85 -55.5 -30.95 61.58 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.877 1.671 . . . . 10.0 111.476 172.628 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -57.54 -35.97 71.0 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.369 1.468 . . . . 10.0 112.741 177.759 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.5 mmt180 -67.87 -45.28 74.95 Favored 'General case' 0 N--CA 1.477 0.877 0 O-C-N 121.336 -0.852 . . . . 10.0 110.813 176.414 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 20.4 t -62.32 -39.59 93.54 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.189 0.996 . . . . 10.0 111.59 174.586 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.84 -42.73 99.4 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.469 1.108 . . . . 10.0 111.368 176.059 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -64.54 -36.16 83.32 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.484 -0.76 . . . . 10.0 111.319 175.373 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.69 -40.12 88.39 Favored 'General case' 0 CA--C 1.546 0.803 0 O-C-N 121.695 -0.628 . . . . 10.0 111.448 175.228 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.8 tp -61.3 -43.85 98.18 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.554 1.541 . . . . 10.0 110.128 175.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.0 tmtm? -52.52 -22.0 4.4 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.996 1.718 . . . . 10.0 115.375 177.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 46.6 p -66.19 -23.37 66.44 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 113.292 0.849 . . . . 10.0 113.292 177.727 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 81.0 mt -71.4 148.27 93.29 Favored Pre-proline 0 CA--C 1.551 0.983 0 C-N-CA 124.332 1.053 . . . . 10.0 111.574 178.271 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -55.31 140.58 81.9 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 123.454 2.769 . . . . 10.0 113.218 178.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -55.69 -44.92 77.81 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.616 0.766 . . . . 10.0 112.996 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -66.28 -36.2 82.35 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.627 0.771 . . . . 10.0 112.244 178.467 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -69.4 -46.19 67.46 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.611 -0.681 . . . . 10.0 110.704 177.451 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 50.4 t -58.78 -48.54 85.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 124.48 1.112 . . . . 10.0 110.213 176.427 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -62.14 -35.44 78.77 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.636 0.774 . . . . 10.0 112.529 178.101 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 73.4 m -61.77 -39.16 90.69 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.519 0.728 . . . . 10.0 112.875 178.014 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.1 mm -67.97 -42.39 85.44 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 CA-C-N 119.401 1.001 . . . . 10.0 110.411 177.064 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 96.9 mt -61.21 -37.92 84.74 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 121.411 -0.805 . . . . 10.0 111.473 176.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.88 -9.24 50.53 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 124.818 1.247 . . . . 10.0 114.252 176.457 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -121.78 -28.12 4.56 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.718 1.207 . . . . 10.0 114.129 -175.309 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -137.98 -12.65 1.46 Allowed 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 114.95 1.463 . . . . 10.0 114.95 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.55 -3.93 52.67 Favored Glycine 0 CA--C 1.537 1.465 0 N-CA-C 116.133 1.213 . . . . 10.0 116.133 178.582 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -150.71 160.43 43.85 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 118.973 1.387 . . . . 10.0 113.137 -179.66 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 58.2 mt -135.62 136.59 50.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 C-N-CA 126.23 1.812 . . . . 10.0 110.381 -176.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -99.98 127.5 46.18 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.058 1.343 . . . . 10.0 109.851 175.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 12.9 tpt -137.44 157.11 47.28 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.88 1.272 . . . . 10.0 111.458 178.8 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 21.2 p-80 -117.51 141.89 47.82 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.09 1.356 . . . . 10.0 111.672 178.387 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 51.9 t -58.46 128.09 35.44 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.019 1.328 . . . . 10.0 111.453 179.53 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -67.48 -15.07 63.47 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 123.636 0.774 . . . . 10.0 113.069 178.241 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -102.36 -38.89 7.42 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.781 1.633 . . . . 10.0 113.57 -177.778 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 19.6 m -115.56 -16.35 11.34 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 116.003 1.853 . . . . 10.0 116.003 -174.291 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 75.8 -4.9 42.44 Favored Glycine 0 CA--C 1.541 1.712 0 C-N-CA 124.13 0.871 . . . . 10.0 114.285 -175.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -64.25 133.31 52.53 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.298 1.439 . . . . 10.0 111.387 178.519 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 11.2 p-80 -84.44 150.07 25.55 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.761 1.023 . . . . 10.0 113.761 179.426 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -145.18 157.82 43.98 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 127.614 2.366 . . . . 10.0 107.939 177.538 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.445 ' H ' HD23 ' A' ' 48' ' ' LEU . 1.9 pt? -114.47 142.26 46.62 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.093 0.957 . . . . 10.0 109.974 176.479 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -128.51 145.47 51.11 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 125.021 1.328 . . . . 10.0 110.744 -177.494 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 -113.75 171.49 7.55 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.416 1.486 . . . . 10.0 111.459 -175.341 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.27 -36.3 65.94 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 121.111 -0.993 . . . . 10.0 112.476 177.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 26.0 mmt -65.81 -37.57 86.62 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.149 0.979 . . . . 10.0 112.161 175.368 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -67.3 -48.15 68.47 Favored 'General case' 0 CA--C 1.534 0.362 0 O-C-N 121.456 -0.777 . . . . 10.0 110.654 177.353 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.8 mp -59.9 -41.2 85.1 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.481 0 C-N-CA 123.553 0.741 . . . . 10.0 110.272 177.348 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.06 -39.9 87.62 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.207 0.603 . . . . 10.0 112.159 177.028 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -72.07 -42.7 65.91 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.528 -0.733 . . . . 10.0 111.287 176.738 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 64.3 mt . . . . . 0 N--CA 1.476 0.852 0 C-N-CA 124.361 1.064 . . . . 10.0 110.964 178.15 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.7 t . . . . . 0 C--O 1.237 0.411 0 N-CA-C 109.687 -0.486 . . . . 10.0 109.687 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.9 ttt180 -56.64 -33.46 66.35 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 124.007 0.923 . . . . 10.0 111.401 174.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -61.09 -36.72 80.42 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.809 1.643 . . . . 10.0 113.421 178.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.0 mtt85 -69.71 -46.4 66.07 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.743 0.817 . . . . 10.0 110.879 178.371 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 73.1 m -63.19 -38.53 91.54 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.384 1.474 . . . . 10.0 112.784 174.168 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.88 -41.4 97.83 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.702 0.801 . . . . 10.0 111.564 178.1 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -63.01 -40.42 97.71 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.274 0.63 . . . . 10.0 111.314 175.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.07 -33.67 76.3 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 124.193 0.997 . . . . 10.0 112.42 175.795 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.8 tp -71.74 -42.98 66.61 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.94 1.296 . . . . 10.0 109.919 175.453 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.51 -34.31 57.67 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 115.301 1.593 . . . . 10.0 115.301 -179.733 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 75.4 p -72.91 -12.83 61.11 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 114.484 1.29 . . . . 10.0 114.484 -178.455 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 83.9 mt -71.09 155.7 92.9 Favored Pre-proline 0 CA--C 1.55 0.955 0 CA-C-N 119.236 0.925 . . . . 10.0 111.41 175.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -56.52 123.91 14.97 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 122.932 2.421 . . . . 10.0 111.049 176.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -59.12 -34.45 72.05 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 113.022 0.749 . . . . 10.0 113.022 -178.294 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -67.18 -38.32 85.19 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.184 0.994 . . . . 10.0 112.149 174.574 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -69.56 -41.82 75.38 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.096 0.958 . . . . 10.0 111.103 177.634 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 47.9 t -59.74 -42.28 88.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 124.468 1.107 . . . . 10.0 110.692 176.515 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -64.35 -34.12 77.42 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 112.673 0.619 . . . . 10.0 112.673 176.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 71.0 m -61.44 -35.3 77.18 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.37 -0.831 . . . . 10.0 112.321 177.013 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.6 mm -64.68 -36.15 76.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 CA-C-N 119.097 0.862 . . . . 10.0 111.011 177.541 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 38.9 mt -63.99 -30.13 71.24 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.011 -1.056 . . . . 10.0 112.305 176.747 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.75 -5.11 57.86 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 124.946 1.298 . . . . 10.0 113.763 176.687 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -123.83 -27.59 3.93 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 114.789 1.403 . . . . 10.0 114.789 -178.198 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -141.15 -26.35 0.71 Allowed 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 114.464 1.283 . . . . 10.0 114.464 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 84.31 1.59 89.39 Favored Glycine 0 CA--C 1.538 1.496 0 N-CA-C 115.932 1.133 . . . . 10.0 115.932 177.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -160.23 165.58 31.21 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.11 1.364 . . . . 10.0 112.035 -179.396 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 93.7 mt -130.6 134.62 61.84 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 125.237 1.415 . . . . 10.0 110.356 179.065 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -95.87 100.16 11.88 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.2 1.8 . . . . 10.0 108.175 175.178 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 3.1 mmt -91.37 153.07 20.15 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 124.958 1.303 . . . . 10.0 112.843 -177.535 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 73.4 m80 -121.13 125.44 47.22 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.512 1.525 . . . . 10.0 109.343 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 53.9 t -51.1 119.54 4.09 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.137 1.775 . . . . 10.0 111.871 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -63.69 -15.69 59.1 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 123.395 0.678 . . . . 10.0 112.735 178.483 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -92.04 -38.58 12.13 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.932 1.693 . . . . 10.0 113.893 -178.173 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.9 p -141.19 -10.43 0.97 Allowed 'General case' 0 CA--C 1.553 1.072 0 N-CA-C 117.925 2.565 . . . . 10.0 117.925 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 97.44 -6.44 63.21 Favored Glycine 0 CA--C 1.539 1.588 0 C-N-CA 125.193 1.377 . . . . 10.0 116.077 179.025 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -53.28 145.93 13.01 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 125.68 1.592 . . . . 10.0 113.194 179.226 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 71.7 m-70 -82.74 142.76 31.37 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 114.368 1.247 . . . . 10.0 114.368 -177.776 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -149.68 131.89 15.46 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 127.006 2.122 . . . . 10.0 107.771 174.689 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.409 ' H ' HD23 ' A' ' 48' ' ' LEU . 1.8 pt? -102.65 143.06 32.8 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.876 0.871 . . . . 10.0 112.656 -178.089 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -130.58 126.07 35.79 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.036 1.334 . . . . 10.0 110.043 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 -91.07 172.53 8.5 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.435 1.094 . . . . 10.0 111.28 -178.256 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.31 -39.55 70.06 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.237 -0.915 . . . . 10.0 112.08 177.041 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -65.28 -38.1 89.24 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.134 1.374 . . . . 10.0 112.239 177.716 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -71.99 -48.01 47.96 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.077 0.951 . . . . 10.0 110.954 177.241 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 69.6 mt -60.93 -39.13 81.04 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.134 0 C-N-CA 125.894 1.677 . . . . 10.0 110.863 -179.168 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.62 -41.08 72.99 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 119.001 0.819 . . . . 10.0 112.811 178.087 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -74.02 -46.95 40.32 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.517 -0.74 . . . . 10.0 111.217 176.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 93.5 mt . . . . . 0 N--CA 1.476 0.858 0 C-N-CA 124.424 1.09 . . . . 10.0 111.411 179.139 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 88.5 p . . . . . 0 C--O 1.238 0.453 0 CA-C-O 121.147 0.499 . . . . 10.0 111.168 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 66.3 mtp85 -57.35 -35.28 69.73 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.106 0.562 . . . . 10.0 111.405 174.167 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -60.83 -43.86 97.69 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.3 1.04 . . . . 10.0 112.822 179.636 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 62.9 mtt180 -60.87 -46.03 92.21 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 121.728 -0.608 . . . . 10.0 111.8 178.009 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.7 t -72.6 -33.19 66.53 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 112.848 0.685 . . . . 10.0 112.848 178.044 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.66 96.06 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.523 0.729 . . . . 10.0 110.51 175.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -63.04 -34.52 77.76 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 121.548 -0.72 . . . . 10.0 111.763 175.396 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.58 -33.82 74.73 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 123.663 0.785 . . . . 10.0 111.884 174.663 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 15.4 tp -74.51 -40.89 61.5 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.46 1.504 . . . . 10.0 110.824 177.072 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -49.55 -35.16 19.48 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 128.13 2.572 . . . . 10.0 114.768 178.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 77.6 p -78.44 -13.83 59.65 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 114.556 1.317 . . . . 10.0 114.556 -179.552 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 71.4 mt -70.23 153.19 95.4 Favored Pre-proline 0 CA--C 1.55 0.958 0 CA-C-N 119.576 1.08 . . . . 10.0 111.644 178.277 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -53.4 125.12 17.45 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 123.518 2.812 . . . . 10.0 112.863 179.27 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -60.01 -35.78 75.79 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 113.326 0.861 . . . . 10.0 113.326 -178.633 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -64.38 -39.54 94.06 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.707 0.803 . . . . 10.0 111.509 176.777 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -69.53 -41.85 75.42 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.88 0.872 . . . . 10.0 110.41 176.261 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 24.6 t -57.79 -48.51 83.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 124.008 0.923 . . . . 10.0 109.66 175.656 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.4 -37.57 87.98 Favored 'General case' 0 CA--C 1.539 0.537 0 O-C-N 121.669 -0.645 . . . . 10.0 112.495 177.574 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 68.5 m -63.0 -45.18 93.61 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.656 0.782 . . . . 10.0 111.847 178.002 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 74.6 mt -64.72 -44.12 96.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 CA-C-N 118.692 0.678 . . . . 10.0 109.975 176.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 49.7 mt -59.22 -38.94 81.2 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 121.288 -0.883 . . . . 10.0 111.984 176.441 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.95 -8.39 36.67 Favored 'General case' 0 CA--C 1.55 0.969 0 N-CA-C 114.364 1.246 . . . . 10.0 114.364 177.007 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -121.6 -20.98 6.34 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 114.362 1.245 . . . . 10.0 114.362 -179.594 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -140.19 -11.6 1.09 Allowed 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 115.718 1.747 . . . . 10.0 115.718 -178.683 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.71 -1.47 37.69 Favored Glycine 0 CA--C 1.54 1.613 0 N-CA-C 116.141 1.216 . . . . 10.0 116.141 179.135 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -154.91 161.79 41.31 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.029 1.332 . . . . 10.0 112.426 179.501 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 61.0 mt -134.44 136.42 52.86 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 C-N-CA 125.913 1.685 . . . . 10.0 109.604 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -103.6 132.06 50.19 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.646 1.178 . . . . 10.0 108.678 174.629 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 13.9 tpt -127.41 152.94 46.87 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 124.902 1.281 . . . . 10.0 111.333 -178.028 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 50.4 t60 -93.94 134.71 36.03 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.989 1.316 . . . . 10.0 112.833 -176.169 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 13.3 t -79.19 76.21 5.72 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 127.122 2.169 . . . . 10.0 109.409 176.595 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -57.24 -15.35 5.78 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 113.767 1.025 . . . . 10.0 113.767 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 67.5 m-85 -62.33 -36.78 83.27 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.092 1.757 . . . . 10.0 113.165 175.112 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 22.6 p -149.78 -18.06 0.26 Allowed 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 117.486 2.402 . . . . 10.0 117.486 -177.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 128.73 -12.71 6.19 Favored Glycine 0 CA--C 1.536 1.365 0 CA-C-N 120.564 1.529 . . . . 10.0 116.6 176.219 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -70.39 -168.98 0.27 Allowed 'General case' 0 CA--C 1.558 1.285 0 C-N-CA 125.477 1.511 . . . . 10.0 113.129 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 7.4 p80 -151.37 161.71 42.21 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 126.071 1.748 . . . . 10.0 110.69 175.804 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -148.36 149.0 31.0 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 125.52 1.528 . . . . 10.0 108.644 -179.28 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.7 pp -113.22 144.75 42.17 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.65 0.78 . . . . 10.0 112.276 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -134.49 126.94 30.44 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 125.739 1.615 . . . . 10.0 111.725 -174.279 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 59.5 m-20 -88.14 171.33 10.32 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.906 0.883 . . . . 10.0 110.809 178.226 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.33 -37.21 67.13 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 123.545 0.738 . . . . 10.0 112.9 178.292 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 2.4 mpt? -65.11 -38.24 90.03 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.707 1.203 . . . . 10.0 112.472 178.612 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -72.15 -44.11 63.59 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.992 0.917 . . . . 10.0 110.072 176.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 51.4 mt -60.2 -33.48 53.67 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 C-N-CA 125.086 1.354 . . . . 10.0 111.417 176.819 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.35 -35.93 74.78 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.692 -0.63 . . . . 10.0 111.596 174.247 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -72.82 -39.38 66.66 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.781 1.173 . . . . 10.0 110.772 176.126 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 97.0 mt . . . . . 0 CA--C 1.545 0.752 0 O-C-N 121.387 -0.821 . . . . 10.0 110.151 175.141 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.9 m . . . . . 0 CA--C 1.539 0.519 0 N-CA-C 106.928 -1.508 . . . . 10.0 106.928 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.6 ttp85 -55.03 -35.18 64.19 Favored 'General case' 0 N--CA 1.48 1.043 0 O-C-N 121.183 -0.948 . . . . 10.0 112.255 179.245 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -58.58 -39.52 80.57 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.401 1.481 . . . . 10.0 113.593 176.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.4 mmm-85 -67.53 -45.33 76.04 Favored 'General case' 0 N--CA 1.481 1.106 0 O-C-N 121.226 -0.921 . . . . 10.0 110.822 177.308 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 17.8 t -62.54 -38.06 88.56 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.631 0.772 . . . . 10.0 111.687 173.647 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.76 -41.37 97.6 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.083 0.953 . . . . 10.0 110.972 177.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -59.58 -34.72 73.07 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.966 0.906 . . . . 10.0 112.401 177.161 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.29 -33.76 73.68 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 123.571 0.748 . . . . 10.0 112.319 175.331 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.3 tp -76.01 -44.65 38.44 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.438 1.495 . . . . 10.0 110.581 176.809 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -47.7 -39.54 17.74 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 128.404 2.681 . . . . 10.0 114.497 179.182 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 59.9 p -81.96 -9.88 59.43 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 115.085 1.513 . . . . 10.0 115.085 -178.514 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 95.4 mt -66.32 155.27 88.51 Favored Pre-proline 0 CA--C 1.548 0.875 0 CA-C-N 119.556 1.071 . . . . 10.0 111.29 177.281 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -53.56 119.21 5.83 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 123.254 2.636 . . . . 10.0 111.403 178.181 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -58.31 -35.28 71.62 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 113.406 0.891 . . . . 10.0 113.406 -176.531 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -63.77 -39.42 94.22 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.723 0.809 . . . . 10.0 111.466 176.252 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -69.58 -45.29 68.99 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.53 -0.731 . . . . 10.0 110.936 176.423 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 62.6 t -58.29 -48.79 83.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 123.832 0.853 . . . . 10.0 110.134 177.095 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -61.26 -38.68 87.59 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.94 0.896 . . . . 10.0 112.074 176.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 66.2 m -61.83 -43.67 98.38 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.211 0.604 . . . . 10.0 111.938 177.584 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 75.1 mt -64.35 -46.96 91.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 CA-C-N 118.757 0.708 . . . . 10.0 109.959 176.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 97.1 mt -60.08 -37.85 81.14 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.577 -0.702 . . . . 10.0 112.248 178.164 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.63 -9.28 41.7 Favored 'General case' 0 CA--C 1.55 0.969 0 N-CA-C 114.273 1.212 . . . . 10.0 114.273 176.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -122.45 -15.77 7.5 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 114.391 1.256 . . . . 10.0 114.391 -179.202 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -142.16 -13.17 0.82 Allowed 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 115.576 1.695 . . . . 10.0 115.576 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 73.2 -8.14 9.46 Favored Glycine 0 CA--C 1.539 1.538 0 N-CA-C 116.254 1.262 . . . . 10.0 116.254 179.063 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -152.15 164.15 37.9 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 118.924 1.362 . . . . 10.0 113.324 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 70.1 mt -135.93 135.93 50.21 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 C-N-CA 126.937 2.095 . . . . 10.0 109.775 -177.369 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -97.84 124.22 42.14 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.917 1.687 . . . . 10.0 107.54 174.051 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 15.1 tpt -131.71 153.18 50.29 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.067 0.947 . . . . 10.0 111.787 -175.072 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 67.7 m-70 -119.65 140.36 50.75 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.429 1.092 . . . . 10.0 111.556 179.436 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 40.5 t -53.94 118.86 4.33 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.474 1.91 . . . . 10.0 110.653 177.482 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -66.95 -9.14 35.29 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 113.095 0.776 . . . . 10.0 113.095 179.274 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -99.6 -42.73 6.77 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.913 1.685 . . . . 10.0 114.01 -177.254 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.6 p -132.3 -9.98 3.3 Favored 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 116.64 2.089 . . . . 10.0 116.64 179.322 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 94.42 -2.12 67.5 Favored Glycine 0 CA--C 1.536 1.393 0 N-CA-C 116.914 1.526 . . . . 10.0 116.914 176.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -58.32 138.82 56.15 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 120.152 1.976 . . . . 10.0 112.118 178.464 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -82.68 150.91 26.49 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.155 0.982 . . . . 10.0 113.453 -178.636 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -153.24 153.28 32.38 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 126.35 1.86 . . . . 10.0 109.024 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 91.9 mt -114.58 142.18 46.78 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.823 0.849 . . . . 10.0 112.693 -178.502 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -136.33 139.2 42.41 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 126.171 1.788 . . . . 10.0 110.011 -179.555 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 22.4 p30 -121.62 172.58 8.01 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 124.033 0.933 . . . . 10.0 112.118 178.76 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.3 -41.96 73.06 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 113.422 0.897 . . . . 10.0 113.422 -178.113 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 26.3 mmt -70.51 -39.03 74.34 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.134 0.573 . . . . 10.0 112.276 178.048 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -67.82 -43.42 79.63 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 121.299 -0.875 . . . . 10.0 111.534 178.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 80.6 mt -65.32 -35.46 75.39 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 C-N-CA 124.582 1.153 . . . . 10.0 110.288 176.21 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.17 -36.59 84.55 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 121.792 -0.568 . . . . 10.0 111.416 175.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -72.37 -40.41 67.31 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 121.516 -0.74 . . . . 10.0 110.88 175.234 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 52.4 mt . . . . . 0 N--CA 1.479 1.015 0 CA-C-N 119.151 0.887 . . . . 10.0 109.948 175.654 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.5 m . . . . . 0 N--CA 1.473 0.701 0 N-CA-C 113.557 0.947 . . . . 10.0 113.557 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 19.4 ptp180 -54.4 -33.73 59.89 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 125.456 1.502 . . . . 10.0 114.219 -179.567 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -57.0 -36.47 70.44 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.413 1.485 . . . . 10.0 112.724 -179.215 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 65.5 mtt85 -67.67 -41.81 83.15 Favored 'General case' 0 N--CA 1.478 0.943 0 O-C-N 121.405 -0.809 . . . . 10.0 111.401 175.496 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 16.7 t -65.54 -41.91 92.51 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-O 121.075 0.464 . . . . 10.0 110.964 174.554 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.78 -42.7 99.33 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.711 1.204 . . . . 10.0 112.191 178.095 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -61.02 -38.17 85.14 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.937 0.895 . . . . 10.0 111.774 177.03 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.93 -33.64 74.06 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.489 0.716 . . . . 10.0 112.54 175.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.1 tp -76.05 -47.11 25.97 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.827 1.251 . . . . 10.0 111.656 178.556 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.11 -21.23 66.77 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 115.881 1.808 . . . . 10.0 115.881 -176.013 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 36.2 p -82.17 -10.55 59.12 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 113.606 0.965 . . . . 10.0 113.606 177.14 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 97.8 mt -67.43 159.7 76.24 Favored Pre-proline 0 CA--C 1.551 0.991 0 C-N-CA 124.495 1.118 . . . . 10.0 111.624 177.064 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -47.08 127.32 12.51 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 123.914 3.076 . . . . 10.0 113.895 179.359 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -54.91 -39.51 68.88 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.478 1.111 . . . . 10.0 112.987 -178.651 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -62.33 -41.57 98.66 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.385 1.074 . . . . 10.0 112.343 178.067 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -66.45 -45.53 79.46 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 121.422 -0.799 . . . . 10.0 110.987 178.653 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 96.4 t -60.97 -48.0 91.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 123.635 0.774 . . . . 10.0 110.078 177.007 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -59.57 -43.76 93.51 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.87 0.868 . . . . 10.0 112.6 178.228 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 31.4 m -59.79 -43.69 94.29 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 119.012 0.824 . . . . 10.0 112.818 178.746 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 62.1 mt -68.21 -45.37 83.06 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 CA-C-N 119.291 0.951 . . . . 10.0 110.398 178.593 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 93.4 mt -61.35 -35.61 77.93 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.3 -0.875 . . . . 10.0 112.208 177.564 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.4 -14.7 61.77 Favored 'General case' 0 CA--C 1.549 0.934 0 N-CA-C 113.969 1.1 . . . . 10.0 113.969 176.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -111.85 -26.69 8.81 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.892 1.277 . . . . 10.0 114.244 -177.768 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -136.72 -15.61 1.57 Allowed 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 115.008 1.485 . . . . 10.0 115.008 -178.399 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.95 -9.25 25.71 Favored Glycine 0 CA--C 1.537 1.412 0 C-N-CA 124.693 1.139 . . . . 10.0 115.799 179.141 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -143.62 160.83 39.96 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.95 1.3 . . . . 10.0 112.014 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 84.9 mt -134.26 136.56 53.04 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 C-N-CA 126.747 2.019 . . . . 10.0 108.634 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -124.4 123.78 40.92 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.394 1.478 . . . . 10.0 109.864 178.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 57.2 mtt -137.3 156.26 48.47 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.444 1.498 . . . . 10.0 112.415 -177.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 12.0 p-80 -94.45 141.65 28.34 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.606 0.763 . . . . 10.0 111.67 178.142 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 53.4 t -56.11 120.46 7.55 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 127.211 2.204 . . . . 10.0 110.815 178.555 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -65.56 -13.91 59.98 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 113.049 0.759 . . . . 10.0 113.049 179.291 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -102.04 -36.96 8.39 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.826 1.65 . . . . 10.0 114.04 -178.613 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 5.9 m -125.07 -11.19 7.08 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 116.338 1.977 . . . . 10.0 116.338 -173.543 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.33 -8.73 45.04 Favored Glycine 0 CA--C 1.541 1.676 0 N-CA-C 116.02 1.168 . . . . 10.0 116.02 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -66.73 150.0 49.72 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 118.889 1.344 . . . . 10.0 112.093 178.421 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 10.5 p-80 -82.79 150.9 26.36 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 120.981 -1.074 . . . . 10.0 113.413 -179.206 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -150.23 133.48 16.34 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 126.489 1.916 . . . . 10.0 108.361 177.684 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.7 pp -114.55 142.31 46.59 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.021 0.929 . . . . 10.0 111.804 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -136.34 151.86 50.04 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 125.858 1.663 . . . . 10.0 110.579 -178.316 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 23.5 p30 -121.15 179.2 4.47 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 121.794 0.807 . . . . 10.0 113.052 179.58 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.42 -39.97 70.88 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 112.938 0.718 . . . . 10.0 112.938 -179.562 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 34.8 mmt -70.52 -39.18 74.22 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.443 0.697 . . . . 10.0 111.958 177.629 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -61.43 -48.03 83.03 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 119.005 0.821 . . . . 10.0 110.576 176.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 84.2 mt -65.28 -39.05 84.14 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 C-N-CA 124.64 1.176 . . . . 10.0 110.611 178.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.53 -37.32 83.32 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 118.914 0.779 . . . . 10.0 112.214 176.39 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -71.04 -43.49 67.75 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 121.465 -0.772 . . . . 10.0 110.694 175.543 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 54.3 mt . . . . . 0 N--CA 1.479 1.009 0 C-N-CA 124.313 1.045 . . . . 10.0 110.772 177.088 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 45.2 t . . . . . 0 N--CA 1.469 0.503 0 CA-C-O 121.122 0.487 . . . . 10.0 112.299 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 74.7 ttt-85 -55.14 -30.52 59.98 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.751 1.62 . . . . 10.0 111.122 172.494 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -57.25 -36.36 70.86 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.445 1.498 . . . . 10.0 112.424 177.447 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 57.3 mtt180 -69.69 -38.49 77.01 Favored 'General case' 0 N--CA 1.477 0.921 0 O-C-N 121.138 -0.976 . . . . 10.0 111.519 175.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 11.8 t -65.47 -40.35 93.05 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.22 0.608 . . . . 10.0 110.586 174.284 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.96 -43.06 99.63 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.389 1.075 . . . . 10.0 111.129 175.213 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -60.22 -43.08 96.29 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.374 1.07 . . . . 10.0 110.844 176.45 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.06 -33.72 76.11 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.626 1.17 . . . . 10.0 113.18 176.065 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 41.3 tp -70.31 -37.49 74.76 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.77 1.228 . . . . 10.0 111.675 179.232 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.36 -31.55 63.91 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 114.23 1.196 . . . . 10.0 114.23 -177.678 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 72.1 p -73.4 -13.88 61.16 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 114.64 1.348 . . . . 10.0 114.64 -176.786 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 52.3 mt -65.76 147.21 98.85 Favored Pre-proline 0 CA--C 1.55 0.945 0 CA-C-N 119.4 1.0 . . . . 10.0 111.063 177.2 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -56.65 139.52 88.34 Favored 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 123.119 2.546 . . . . 10.0 113.0 179.416 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -57.72 -37.72 74.02 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 123.465 0.706 . . . . 10.0 112.67 179.105 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -66.44 -37.99 86.41 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.243 0.617 . . . . 10.0 111.998 177.731 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -69.16 -47.33 65.28 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.056 0.943 . . . . 10.0 110.492 177.508 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 49.4 t -60.02 -48.96 85.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 124.388 1.075 . . . . 10.0 110.657 177.504 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -62.73 -37.78 87.91 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.346 0.659 . . . . 10.0 112.303 178.073 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 75.5 m -60.8 -44.32 97.0 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 118.752 0.705 . . . . 10.0 112.055 177.81 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 61.3 mt -66.85 -45.76 86.87 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 123.119 0.567 . . . . 10.0 110.202 178.009 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 81.7 mt -60.93 -37.12 81.2 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.278 -0.889 . . . . 10.0 112.463 177.74 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.69 -9.95 41.55 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 114.284 1.216 . . . . 10.0 114.284 177.124 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -122.06 -18.72 6.84 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 114.395 1.257 . . . . 10.0 114.395 -179.27 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -139.82 -11.93 1.14 Allowed 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 115.793 1.775 . . . . 10.0 115.793 -179.127 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.09 -0.35 39.35 Favored Glycine 0 CA--C 1.539 1.588 0 N-CA-C 115.913 1.125 . . . . 10.0 115.913 179.045 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -157.06 163.03 39.46 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.51 1.524 . . . . 10.0 111.851 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 31.4 mt -133.84 136.31 54.11 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 C-N-CA 125.75 1.62 . . . . 10.0 109.644 -179.187 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -99.18 130.7 45.5 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.614 1.166 . . . . 10.0 108.005 173.574 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 15.9 tpt -131.17 152.52 50.36 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.402 1.081 . . . . 10.0 111.445 -177.09 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 25.8 p-80 -94.59 141.67 28.33 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.786 1.234 . . . . 10.0 112.766 -179.037 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 53.2 t -77.15 94.11 4.02 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.935 1.694 . . . . 10.0 107.547 173.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -57.15 -20.97 29.32 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 113.327 0.862 . . . . 10.0 113.327 -179.224 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -82.29 -35.98 27.48 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 126.152 1.781 . . . . 10.0 114.857 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 21.6 m -125.71 -16.27 5.77 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 116.637 2.088 . . . . 10.0 116.637 -174.137 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 91.86 -3.24 77.41 Favored Glycine 0 CA--C 1.54 1.622 0 C-N-CA 124.504 1.049 . . . . 10.0 114.552 -178.446 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -71.3 -177.31 1.72 Allowed 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 126.004 1.722 . . . . 10.0 111.235 176.095 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 5.3 p80 -141.83 160.49 40.09 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 120.43 -1.419 . . . . 10.0 111.905 175.719 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -150.17 154.82 38.66 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 125.851 1.66 . . . . 10.0 109.049 -178.572 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.494 ' H ' HD23 ' A' ' 48' ' ' LEU . 1.7 pt? -112.47 142.12 45.4 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.22 1.008 . . . . 10.0 112.162 -179.687 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -134.35 122.03 22.03 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 125.784 1.634 . . . . 10.0 111.119 -176.481 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -82.72 168.39 17.26 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.667 0.787 . . . . 10.0 111.579 179.211 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.3 -39.11 69.51 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.748 0.819 . . . . 10.0 112.515 178.507 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 77.0 mtm -66.82 -38.31 86.2 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.78 0.832 . . . . 10.0 112.682 178.074 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -71.11 -43.12 68.32 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 121.341 -0.849 . . . . 10.0 110.434 178.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 56.7 mt -62.45 -36.96 77.45 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 C-N-CA 124.406 1.082 . . . . 10.0 110.391 175.47 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.54 -39.66 91.99 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.743 -0.598 . . . . 10.0 111.402 175.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -66.06 -42.69 89.14 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.268 -0.895 . . . . 10.0 110.395 175.719 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 65.3 mt . . . . . 0 N--CA 1.474 0.73 0 C-N-CA 124.36 1.064 . . . . 10.0 110.274 175.904 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 92.4 p . . . . . 0 N--CA 1.473 0.703 0 N-CA-C 114.093 1.146 . . . . 10.0 114.093 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.7 ttm-85 -59.37 -34.18 72.08 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.033 0.933 . . . . 10.0 111.148 174.311 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -57.1 -39.75 75.68 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.483 1.113 . . . . 10.0 112.19 -179.268 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.4 mmm180 -64.64 -41.21 96.3 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 119.035 0.834 . . . . 10.0 112.223 176.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 10.2 t -68.35 -41.95 79.95 Favored 'General case' 0 CA--C 1.548 0.865 0 C-N-CA 123.906 0.883 . . . . 10.0 111.549 175.239 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.0 -39.41 92.16 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.197 1.399 . . . . 10.0 112.055 177.502 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -58.96 -36.39 74.74 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.848 1.259 . . . . 10.0 111.499 177.016 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.19 -33.79 67.91 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 123.966 0.906 . . . . 10.0 113.274 174.663 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 18.8 tp -76.28 -45.85 30.62 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.713 1.205 . . . . 10.0 111.838 179.085 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 42.2 pttt -62.02 -24.06 66.82 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 115.417 1.636 . . . . 10.0 115.417 -176.644 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 37.4 p -80.11 -11.48 59.75 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 113.595 0.961 . . . . 10.0 113.595 179.256 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 89.0 mt -68.33 154.4 94.24 Favored Pre-proline 0 CA--C 1.551 1.007 0 C-N-CA 123.924 0.89 . . . . 10.0 110.971 176.164 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -52.58 131.13 39.74 Favored 'Trans proline' 0 C--N 1.351 0.708 0 C-N-CA 123.335 2.69 . . . . 10.0 113.192 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -57.88 -39.33 77.59 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.3 0.64 . . . . 10.0 112.512 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -65.63 -39.32 91.34 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.483 0.713 . . . . 10.0 111.713 177.608 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -65.39 -46.41 80.18 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 121.506 -0.747 . . . . 10.0 110.754 177.28 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 67.5 t -60.92 -47.15 94.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 123.708 0.803 . . . . 10.0 110.291 176.664 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -58.58 -39.69 81.04 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.924 0.89 . . . . 10.0 112.682 178.185 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 34.7 m -59.75 -42.64 93.64 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 119.091 0.86 . . . . 10.0 112.367 177.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 27.4 mm -68.59 -43.81 83.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 CA-C-N 119.179 0.899 . . . . 10.0 110.767 177.264 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 84.0 mt -62.32 -34.0 75.77 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 121.314 -0.866 . . . . 10.0 112.257 177.798 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.01 -7.04 54.94 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.901 1.28 . . . . 10.0 113.974 176.265 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -119.47 -32.03 4.45 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.641 1.176 . . . . 10.0 113.925 -176.638 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -136.78 -17.27 1.45 Allowed 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 114.557 1.317 . . . . 10.0 114.557 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.84 -0.62 65.31 Favored Glycine 0 CA--C 1.537 1.441 0 N-CA-C 116.083 1.193 . . . . 10.0 116.083 178.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -149.2 158.77 44.45 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 118.827 1.313 . . . . 10.0 113.508 -178.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 78.9 mt -135.33 133.74 52.55 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 C-N-CA 126.284 1.834 . . . . 10.0 110.0 -178.297 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -89.95 135.79 33.43 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.131 1.372 . . . . 10.0 108.756 173.523 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 66.5 mmm -136.6 157.21 47.31 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 125.599 1.56 . . . . 10.0 111.861 -177.376 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 56.0 m-70 -128.6 134.8 48.69 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.78 1.232 . . . . 10.0 110.233 176.41 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 53.8 t -55.85 118.06 4.25 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 126.597 1.959 . . . . 10.0 110.964 179.081 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -65.72 -7.27 14.68 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 113.648 0.981 . . . . 10.0 113.648 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -111.76 -36.41 5.46 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 126.242 1.817 . . . . 10.0 114.076 -177.401 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 10.5 m -122.28 -10.89 8.45 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 115.584 1.698 . . . . 10.0 115.584 -174.373 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 77.4 -10.29 23.32 Favored Glycine 0 CA--C 1.54 1.64 0 C-N-CA 124.824 1.202 . . . . 10.0 114.83 -177.757 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -55.85 139.65 45.06 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 126.598 1.959 . . . . 10.0 111.867 178.744 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 7.8 p-80 -82.53 157.11 23.66 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.293 -0.879 . . . . 10.0 112.92 -178.679 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -150.65 148.99 29.27 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 126.698 1.999 . . . . 10.0 108.058 179.44 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 31.8 tp -114.74 139.73 49.46 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.483 1.113 . . . . 10.0 108.33 177.402 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -134.22 142.6 47.43 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.7 1.2 . . . . 10.0 110.062 179.226 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -121.24 172.12 8.23 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.323 1.449 . . . . 10.0 110.467 -179.552 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.41 -39.67 70.49 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 121.613 -0.68 . . . . 10.0 112.558 178.173 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 98.3 mmm -68.01 -37.87 81.95 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.706 0.802 . . . . 10.0 112.572 177.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -65.58 -47.85 74.36 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 118.677 0.671 . . . . 10.0 110.397 177.087 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 95.9 mt -61.7 -37.51 78.18 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 C-N-CA 124.827 1.251 . . . . 10.0 110.773 179.064 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.4 -37.27 85.12 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.244 0.618 . . . . 10.0 112.236 176.155 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -73.32 -43.8 60.18 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 121.136 -0.977 . . . . 10.0 110.649 175.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 53.7 mt . . . . . 0 N--CA 1.477 0.907 0 C-N-CA 124.713 1.205 . . . . 10.0 111.271 177.214 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 35.6 t . . . . . 0 N--CA 1.467 0.38 0 CA-C-O 121.348 0.594 . . . . 10.0 112.28 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 74.5 ttt-85 -55.1 -30.45 59.74 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 126.153 1.781 . . . . 10.0 111.316 173.529 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -57.18 -37.12 71.67 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.358 1.463 . . . . 10.0 112.844 178.338 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 83.4 mtt180 -67.52 -43.13 81.54 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 119.148 0.885 . . . . 10.0 111.104 175.669 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 9.1 t -63.08 -41.11 99.35 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.622 0.769 . . . . 10.0 110.964 176.076 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.08 -44.74 96.02 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.007 1.323 . . . . 10.0 111.576 176.179 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -60.93 -39.55 89.87 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.026 0.93 . . . . 10.0 111.918 177.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.81 -33.54 76.09 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.62 0.768 . . . . 10.0 112.603 175.518 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.6 tp -75.77 -43.82 44.59 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.95 1.3 . . . . 10.0 110.996 178.002 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.8 pttt -56.33 -28.71 59.81 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 114.765 1.394 . . . . 10.0 114.765 -177.289 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 38.2 p -81.9 -10.44 59.29 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 114.323 1.231 . . . . 10.0 114.323 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 94.6 mt -68.26 153.9 94.86 Favored Pre-proline 0 CA--C 1.55 0.95 0 CA-C-N 119.329 0.968 . . . . 10.0 111.484 178.033 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -52.31 133.8 49.15 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 123.453 2.768 . . . . 10.0 113.031 179.433 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -56.35 -41.51 76.26 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.62 0.768 . . . . 10.0 112.098 179.27 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -61.54 -40.82 96.06 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.696 1.198 . . . . 10.0 112.454 178.394 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -69.49 -45.87 67.95 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.506 0.722 . . . . 10.0 111.031 178.072 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.4 t -60.37 -48.38 88.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 123.656 0.782 . . . . 10.0 110.287 177.505 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -62.69 -38.25 89.65 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.848 0.859 . . . . 10.0 112.56 177.521 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 74.0 m -60.94 -42.01 97.34 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 118.709 0.686 . . . . 10.0 112.41 178.297 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 68.9 mt -67.71 -44.06 86.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 CA-C-N 118.711 0.687 . . . . 10.0 109.934 177.499 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 95.7 mt -60.92 -37.95 84.07 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.329 -0.857 . . . . 10.0 112.057 176.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.3 -15.04 63.42 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 124.247 1.019 . . . . 10.0 113.729 176.606 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -108.32 -28.43 9.42 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.035 1.334 . . . . 10.0 114.016 -178.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -140.99 -8.28 1.04 Allowed 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 115.892 1.812 . . . . 10.0 115.892 -177.391 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 73.54 -3.89 30.84 Favored Glycine 0 CA--C 1.539 1.568 0 O-C-N 120.943 -1.098 . . . . 10.0 115.754 179.548 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -152.91 161.6 42.35 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.308 1.443 . . . . 10.0 112.197 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 20.1 mt -134.1 136.55 53.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 C-N-CA 126.885 2.074 . . . . 10.0 110.065 -175.75 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -98.19 129.8 44.95 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.749 1.219 . . . . 10.0 108.514 173.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 15.1 tpt -128.8 149.22 50.82 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.475 1.11 . . . . 10.0 111.066 -177.444 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 61.7 t60 -99.81 141.61 32.39 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.265 1.426 . . . . 10.0 113.844 -175.669 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 53.6 t -87.91 89.43 7.99 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.827 1.651 . . . . 10.0 108.162 174.316 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -58.5 -24.19 59.84 Favored 'General case' 0 CA--C 1.549 0.925 0 O-C-N 121.408 -0.807 . . . . 10.0 113.031 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -72.03 -38.09 69.62 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 126.138 1.775 . . . . 10.0 114.689 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 32.0 m -123.17 -24.25 4.74 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 115.707 1.743 . . . . 10.0 115.707 -174.574 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.98 -2.58 44.56 Favored Glycine 0 CA--C 1.539 1.577 0 C-N-CA 125.242 1.401 . . . . 10.0 114.009 -178.52 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -75.12 -172.34 1.65 Allowed 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 126.113 1.765 . . . . 10.0 112.838 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -146.46 163.21 36.4 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.902 1.281 . . . . 10.0 111.029 176.128 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -148.72 156.78 42.83 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 125.719 1.608 . . . . 10.0 108.842 -178.62 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 58.7 mt -113.74 142.06 46.51 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.799 0.84 . . . . 10.0 111.055 -179.699 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -135.31 141.84 45.72 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 126.093 1.757 . . . . 10.0 110.069 -178.059 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 24.9 p30 -121.48 175.8 6.0 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.244 1.018 . . . . 10.0 111.823 179.061 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.2 -41.81 72.46 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 113.496 0.924 . . . . 10.0 113.496 -178.082 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 26.5 mmt -70.6 -38.92 74.05 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.201 0.601 . . . . 10.0 112.511 178.097 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -70.91 -40.68 72.01 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 121.267 -0.895 . . . . 10.0 111.579 179.205 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 74.0 mt -64.14 -35.89 75.22 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 C-N-CA 124.523 1.129 . . . . 10.0 109.881 174.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.25 -38.27 90.45 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.703 -0.623 . . . . 10.0 111.19 175.306 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -70.93 -36.55 72.68 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 121.22 -0.925 . . . . 10.0 111.363 175.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 57.0 mt . . . . . 0 N--CA 1.473 0.7 0 O-C-N 121.539 -0.726 . . . . 10.0 109.434 173.907 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.6 t . . . . . 0 N--CA 1.476 0.834 0 N-CA-C 113.196 0.813 . . . . 10.0 113.196 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.6 ttp180 -55.14 -30.47 59.87 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 125.349 1.46 . . . . 10.0 111.46 174.026 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -56.92 -35.2 68.75 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.896 1.278 . . . . 10.0 112.514 178.675 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.6 mmm180 -69.45 -41.8 75.77 Favored 'General case' 0 N--CA 1.477 0.908 0 O-C-N 121.319 -0.863 . . . . 10.0 111.357 175.097 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 9.1 t -64.5 -39.05 93.06 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 123.991 0.916 . . . . 10.0 110.983 175.257 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.07 -44.46 96.63 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.982 1.313 . . . . 10.0 111.479 175.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -61.94 -36.62 81.94 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.182 0.993 . . . . 10.0 111.204 176.352 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.79 -33.66 68.75 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.186 0.994 . . . . 10.0 112.756 174.658 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.9 tp -70.42 -42.62 71.35 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.468 1.507 . . . . 10.0 111.199 178.759 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.5 pttm -57.64 -24.22 55.34 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 115.623 1.712 . . . . 10.0 115.623 -177.326 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 68.6 p -86.8 -11.93 49.52 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 113.657 0.984 . . . . 10.0 113.657 179.26 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 80.2 mt -70.16 156.49 91.75 Favored Pre-proline 0 CA--C 1.55 0.95 0 C-N-CA 124.088 0.955 . . . . 10.0 110.872 176.686 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -51.53 115.81 2.32 Favored 'Trans proline' 0 C--N 1.352 0.751 0 C-N-CA 123.55 2.833 . . . . 10.0 112.623 178.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -57.92 -35.65 71.37 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 113.157 0.799 . . . . 10.0 113.157 -177.578 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -65.27 -38.41 90.19 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.847 0.859 . . . . 10.0 112.065 177.382 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -69.52 -43.36 73.2 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 121.295 -0.878 . . . . 10.0 110.179 175.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 42.7 t -57.91 -47.48 86.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 124.513 1.125 . . . . 10.0 109.821 175.61 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -65.47 -36.55 84.22 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.537 0.735 . . . . 10.0 112.683 177.773 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.0 m -61.26 -40.26 93.45 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.486 0.714 . . . . 10.0 111.74 177.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 75.6 mt -68.27 -45.0 83.51 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 123.14 0.576 . . . . 10.0 109.671 175.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 61.1 mt -59.04 -37.56 77.29 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 121.143 -0.973 . . . . 10.0 112.337 176.648 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.27 -6.42 34.77 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 114.527 1.306 . . . . 10.0 114.527 177.602 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -127.69 -27.82 2.79 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 114.25 1.204 . . . . 10.0 114.25 -177.58 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -128.4 -16.31 4.41 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.447 1.499 . . . . 10.0 114.617 -179.628 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.84 -0.83 42.47 Favored Glycine 0 CA--C 1.54 1.618 0 N-CA-C 116.043 1.177 . . . . 10.0 116.043 179.121 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -157.68 161.28 38.57 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.761 1.624 . . . . 10.0 111.671 179.565 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 16.8 mt -133.63 136.11 54.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 125.619 1.568 . . . . 10.0 109.614 -179.617 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -103.23 126.44 50.4 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.908 1.683 . . . . 10.0 109.668 176.102 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 28.0 ttt -138.84 149.44 44.91 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.242 1.017 . . . . 10.0 112.362 -177.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 78.1 m-70 -95.35 134.38 38.2 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.3 1.04 . . . . 10.0 110.219 176.45 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 38.3 t -54.75 121.84 9.42 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.568 1.547 . . . . 10.0 110.906 178.615 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -63.06 -9.32 9.94 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 115.101 1.519 . . . . 10.0 115.101 -177.052 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -105.55 -33.92 7.94 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 115.119 1.525 . . . . 10.0 115.119 -176.817 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 7.5 p -140.62 -0.57 1.54 Allowed 'General case' 0 CA--C 1.551 0.983 0 N-CA-C 116.194 1.924 . . . . 10.0 116.194 -176.245 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 81.7 -2.8 81.84 Favored Glycine 0 CA--C 1.534 1.26 0 N-CA-C 117.596 1.798 . . . . 10.0 117.596 174.587 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 15.1 t30 -60.85 135.26 57.73 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 120.063 1.931 . . . . 10.0 111.316 178.4 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 15.7 p80 -82.4 143.0 31.51 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 121.408 -0.807 . . . . 10.0 112.253 -179.653 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -143.74 157.29 44.5 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 126.229 1.812 . . . . 10.0 108.893 179.668 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.435 ' H ' HD23 ' A' ' 48' ' ' LEU . 1.6 pt? -114.99 146.97 40.68 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.075 0.95 . . . . 10.0 111.968 178.311 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -130.53 126.46 36.87 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 125.534 1.534 . . . . 10.0 109.921 179.588 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 25.8 m-80 -93.53 171.75 8.7 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.418 1.087 . . . . 10.0 111.407 -178.139 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.38 -39.07 75.28 Favored 'General case' 0 CA--C 1.545 0.75 0 O-C-N 121.723 -0.611 . . . . 10.0 111.234 174.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 67.6 mtt -67.34 -39.25 85.79 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.389 1.076 . . . . 10.0 112.343 177.038 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -62.53 -48.05 81.25 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 118.596 0.635 . . . . 10.0 110.381 177.122 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 48.6 mt -66.57 -37.57 79.85 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 C-N-CA 124.198 0.999 . . . . 10.0 111.172 179.534 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.07 -36.01 78.47 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 118.932 0.787 . . . . 10.0 111.87 174.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -72.36 -45.12 61.24 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 121.524 -0.735 . . . . 10.0 110.642 175.425 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 73.4 mt . . . . . 0 N--CA 1.474 0.741 0 C-N-CA 123.729 0.811 . . . . 10.0 110.085 177.126 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.3 t . . . . . 0 N--CA 1.475 0.801 0 N-CA-C 116.751 2.13 . . . . 10.0 116.751 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.82 -33.25 64.28 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 127.228 2.211 . . . . 10.0 111.839 176.163 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.5 tm-20 -54.72 -44.11 73.21 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 125.009 1.324 . . . . 10.0 112.948 -178.556 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -69.58 -37.48 76.99 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 118.875 0.762 . . . . 10.0 112.481 176.834 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 16.6 t -66.5 -42.03 88.01 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.48 0.712 . . . . 10.0 111.306 176.197 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.98 -45.8 92.03 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.121 1.368 . . . . 10.0 111.423 176.717 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -62.84 -36.42 83.16 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.374 0.669 . . . . 10.0 111.93 177.543 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.8 -40.69 75.81 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.425 0.69 . . . . 10.0 112.664 176.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.7 tp -62.39 -41.71 98.86 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.236 1.414 . . . . 10.0 112.421 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.5 pttt -59.44 -20.78 57.73 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 114.456 1.28 . . . . 10.0 114.456 -179.375 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 29.3 p -71.29 -21.66 62.05 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.048 0.939 . . . . 10.0 113.393 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 88.6 mt -69.76 141.7 90.32 Favored Pre-proline 0 CA--C 1.546 0.819 0 C-N-CA 123.901 0.88 . . . . 10.0 110.563 177.412 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_exo -52.0 128.82 28.27 Favored 'Trans proline' 0 C--N 1.352 0.712 0 C-N-CA 123.213 2.609 . . . . 10.0 112.552 178.311 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -55.58 -36.0 66.41 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.692 0.797 . . . . 10.0 113.011 -178.576 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -62.87 -42.3 99.7 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.682 0.793 . . . . 10.0 112.152 177.454 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -69.94 -40.03 75.74 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.334 -0.854 . . . . 10.0 111.517 176.364 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.53 -45.53 96.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 123.899 0.88 . . . . 10.0 109.916 176.31 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -61.09 -39.18 88.96 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.081 0.953 . . . . 10.0 112.228 176.701 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 75.7 m -59.93 -40.76 90.0 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 119.228 0.922 . . . . 10.0 112.199 176.809 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 80.9 mt -68.03 -46.19 82.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 123.558 0.743 . . . . 10.0 109.993 177.419 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 93.8 mt -59.74 -36.65 77.03 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 121.445 -0.785 . . . . 10.0 111.679 177.134 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.01 -11.1 56.05 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 114.909 1.448 . . . . 10.0 114.909 177.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -122.72 -11.73 8.17 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 114.912 1.449 . . . . 10.0 114.912 179.387 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -141.69 -14.79 0.83 Allowed 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 115.159 1.54 . . . . 10.0 115.159 179.63 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.73 -4.69 20.62 Favored Glycine 0 CA--C 1.538 1.51 0 C-N-CA 125.108 1.337 . . . . 10.0 115.932 178.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -155.97 168.13 28.21 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.418 1.487 . . . . 10.0 111.986 -179.239 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 65.2 mt -135.2 129.91 50.77 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 C-N-CA 126.436 1.894 . . . . 10.0 109.885 -177.337 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -91.92 105.06 17.41 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 107.177 -1.416 . . . . 10.0 107.177 173.457 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.91 153.31 23.74 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 124.68 1.192 . . . . 10.0 111.712 -175.683 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 71.5 m80 -118.89 136.07 54.24 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.349 1.06 . . . . 10.0 111.424 179.458 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 13.8 t -73.84 86.25 1.73 Allowed 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 127.16 2.184 . . . . 10.0 109.451 178.093 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -51.94 -22.3 3.78 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.08 1.352 . . . . 10.0 114.494 -177.349 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -65.68 -33.48 75.99 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 127.005 2.122 . . . . 10.0 114.277 177.72 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 31.2 p -139.97 -28.96 0.73 Allowed 'General case' 0 CA--C 1.549 0.928 0 N-CA-C 116.43 2.011 . . . . 10.0 116.43 -178.149 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.72 -4.49 17.0 Favored Glycine 0 CA--C 1.537 1.45 0 C-N-CA 125.522 1.534 . . . . 10.0 115.748 178.406 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -64.33 168.14 6.0 Favored 'General case' 0 CA--C 1.552 1.036 0 CA-C-N 119.19 1.495 . . . . 10.0 112.666 179.082 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -122.19 150.6 42.03 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.573 1.549 . . . . 10.0 112.535 179.087 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -150.96 152.75 34.03 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 125.736 1.614 . . . . 10.0 109.592 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 88.6 mt -106.47 141.81 37.16 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.034 0.533 . . . . 10.0 110.604 178.664 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -134.89 146.06 48.84 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.847 1.259 . . . . 10.0 110.702 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.3 p30 -127.34 175.69 8.0 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.706 1.603 . . . . 10.0 111.117 179.526 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.44 -42.49 74.29 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 113.575 0.954 . . . . 10.0 113.575 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 21.3 mmt -70.72 -40.61 72.7 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.511 0.724 . . . . 10.0 112.249 178.715 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.65 -43.39 98.93 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 121.398 -0.814 . . . . 10.0 110.577 175.724 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 75.3 mt -64.96 -40.38 88.89 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 C-N-CA 124.369 1.068 . . . . 10.0 110.512 177.306 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.63 -36.9 85.35 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 121.457 -0.777 . . . . 10.0 111.819 175.25 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -68.89 -42.89 76.32 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.379 -0.825 . . . . 10.0 110.368 175.562 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 51.0 mt . . . . . 0 N--CA 1.475 0.778 0 C-N-CA 124.045 0.938 . . . . 10.0 110.117 176.305 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 31.8 m . . . . . 0 N--CA 1.475 0.796 0 N-CA-C 115.948 1.833 . . . . 10.0 115.948 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.7 ttp180 -55.11 -29.9 58.62 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 125.084 1.353 . . . . 10.0 113.321 -179.626 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -52.34 -42.33 63.78 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.251 1.421 . . . . 10.0 113.225 -179.421 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 49.2 mtt180 -66.53 -42.4 87.28 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-N 119.59 1.086 . . . . 10.0 111.763 175.597 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 60.5 m -63.25 -39.27 94.13 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 118.674 0.67 . . . . 10.0 111.166 175.531 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.0 -43.77 98.14 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.958 0.903 . . . . 10.0 111.105 176.145 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -65.02 -42.18 94.61 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.633 -0.667 . . . . 10.0 111.636 176.117 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.8 -33.55 74.31 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.032 0.933 . . . . 10.0 112.256 175.754 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 15.8 tp -75.19 -44.98 43.52 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.84 1.656 . . . . 10.0 110.64 177.217 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.19 -24.3 64.67 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 116.566 2.061 . . . . 10.0 116.566 -177.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 42.5 p -78.3 -16.01 58.18 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 113.324 0.861 . . . . 10.0 113.324 178.6 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 87.2 mt -72.03 155.34 91.95 Favored Pre-proline 0 CA--C 1.547 0.86 0 C-N-CA 124.403 1.081 . . . . 10.0 111.335 177.218 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -54.89 139.28 78.7 Favored 'Trans proline' 0 C--N 1.351 0.701 0 C-N-CA 122.858 2.372 . . . . 10.0 111.55 176.248 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -57.06 -42.0 79.75 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 121.6 -0.687 . . . . 10.0 112.25 -179.547 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -62.17 -30.98 71.44 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 113.899 1.074 . . . . 10.0 113.899 177.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -69.23 -36.57 77.33 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.136 0.974 . . . . 10.0 111.182 175.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 98.3 t -75.9 -45.25 37.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 124.465 1.106 . . . . 10.0 110.527 176.659 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -62.43 -36.49 82.56 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.098 1.359 . . . . 10.0 113.915 -178.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 94.0 p -61.51 -35.29 77.29 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 113.065 0.765 . . . . 10.0 113.065 179.234 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 8.9 mm -68.52 -38.25 78.9 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 CA-C-N 119.06 0.846 . . . . 10.0 110.591 177.625 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 64.2 mt -62.1 -30.36 70.96 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.191 -0.943 . . . . 10.0 112.224 175.782 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.48 -6.2 57.8 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 124.778 1.231 . . . . 10.0 114.051 176.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -124.86 -26.65 3.72 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 114.602 1.334 . . . . 10.0 114.602 -177.58 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -138.79 -25.96 0.88 Allowed 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 114.25 1.204 . . . . 10.0 114.25 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.06 -2.93 88.01 Favored Glycine 0 CA--C 1.538 1.483 0 N-CA-C 115.667 1.027 . . . . 10.0 115.667 178.056 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -151.17 163.0 39.84 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.938 1.695 . . . . 10.0 111.22 179.565 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 73.4 mt -131.24 136.47 57.64 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 C-N-CA 126.159 1.783 . . . . 10.0 109.116 179.211 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -108.05 133.06 52.88 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 125.363 1.465 . . . . 10.0 109.014 176.498 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 14.9 ttt -136.6 139.32 42.03 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.646 0.779 . . . . 10.0 111.841 -177.529 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 15.6 t60 -94.64 134.63 37.0 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.656 1.183 . . . . 10.0 111.472 -178.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 41.9 t -80.18 80.8 6.55 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.514 1.526 . . . . 10.0 108.607 175.24 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -57.23 -20.94 30.37 Favored 'General case' 0 CA--C 1.548 0.867 0 O-C-N 121.321 -0.862 . . . . 10.0 112.423 178.328 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -68.58 -39.59 80.89 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.544 1.938 . . . . 10.0 113.991 178.039 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 28.1 m -127.06 -28.64 2.86 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 116.303 1.964 . . . . 10.0 116.303 -173.459 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 116.05 -9.91 18.1 Favored Glycine 0 CA--C 1.54 1.599 0 C-N-CA 125.537 1.542 . . . . 10.0 115.258 179.639 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 54.9 t30 -75.21 -173.95 2.18 Favored 'General case' 0 CA--C 1.555 1.144 0 C-N-CA 125.336 1.454 . . . . 10.0 112.658 179.662 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -143.53 163.11 34.09 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.355 1.462 . . . . 10.0 109.742 173.378 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -147.46 153.97 40.22 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 124.739 1.215 . . . . 10.0 109.508 -177.404 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 94.3 mt -114.45 147.5 39.2 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.892 0.877 . . . . 10.0 110.487 179.022 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -134.59 139.27 45.22 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 125.252 1.421 . . . . 10.0 110.222 179.117 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.4 p30 -121.71 -178.97 3.96 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.306 1.043 . . . . 10.0 113.091 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.8 -38.33 69.82 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 113.559 0.948 . . . . 10.0 113.559 179.481 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 65.0 mtt -70.42 -38.71 74.62 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.46 0.704 . . . . 10.0 111.667 177.699 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -63.21 -46.79 85.33 Favored 'General case' 0 N--CA 1.467 0.411 0 O-C-N 121.706 -0.621 . . . . 10.0 110.367 175.419 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 48.3 mt -63.83 -38.39 82.22 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 C-N-CA 124.665 1.186 . . . . 10.0 110.856 178.486 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.69 -36.04 79.73 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 118.765 0.711 . . . . 10.0 111.894 175.122 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -73.43 -43.67 59.9 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 121.562 -0.711 . . . . 10.0 110.821 174.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 71.8 mt . . . . . 0 CA--C 1.546 0.824 0 O-C-N 120.876 -1.14 . . . . 10.0 110.531 175.549 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.6 t . . . . . 0 N--CA 1.477 0.916 0 N-CA-C 117.68 2.474 . . . . 10.0 117.68 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 32.6 ttt180 -54.66 -30.29 54.94 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 128.307 2.643 . . . . 10.0 112.626 177.795 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -56.99 -35.22 68.94 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.979 0.912 . . . . 10.0 112.335 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.8 mmp_? -69.23 -45.95 68.56 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.712 0.805 . . . . 10.0 111.665 176.72 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 8.6 t -63.83 -37.83 88.84 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.386 1.074 . . . . 10.0 111.339 176.386 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.62 -44.53 93.66 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.721 1.208 . . . . 10.0 110.758 175.602 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -63.23 -37.6 87.89 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.566 -0.709 . . . . 10.0 111.546 176.009 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.06 -33.83 76.29 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 123.493 0.717 . . . . 10.0 112.0 175.062 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.3 tp -76.06 -43.04 45.6 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.713 1.605 . . . . 10.0 110.742 176.005 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -50.93 -36.6 39.42 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 127.636 2.374 . . . . 10.0 114.605 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 52.0 p -77.77 -13.06 60.01 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 114.547 1.314 . . . . 10.0 114.547 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 78.5 mt -70.63 154.01 94.61 Favored Pre-proline 0 CA--C 1.55 0.976 0 CA-C-N 119.539 1.063 . . . . 10.0 111.194 177.661 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -53.72 132.19 47.98 Favored 'Trans proline' 0 C--N 1.352 0.719 0 C-N-CA 123.253 2.635 . . . . 10.0 113.083 179.421 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -57.49 -40.28 78.29 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.782 0.833 . . . . 10.0 113.028 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -63.85 -38.45 91.15 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.64 1.176 . . . . 10.0 112.672 177.794 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -69.26 -43.59 73.63 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.487 -0.758 . . . . 10.0 110.618 178.023 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 71.0 t -61.47 -48.68 87.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 123.69 0.796 . . . . 10.0 109.905 176.109 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -60.17 -39.92 88.1 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.012 0.925 . . . . 10.0 112.478 177.544 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.6 t -60.25 -45.72 92.27 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.801 0.84 . . . . 10.0 112.104 178.251 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 63.1 mt -65.12 -44.35 95.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 O-C-N 121.438 -0.789 . . . . 10.0 110.366 177.019 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 72.1 mt -59.81 -35.04 73.88 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 121.382 -0.824 . . . . 10.0 112.271 177.301 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.78 -8.44 54.26 Favored 'General case' 0 CA--C 1.55 0.974 0 N-CA-C 114.337 1.236 . . . . 10.0 114.337 177.109 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -122.68 -23.62 5.07 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 114.571 1.323 . . . . 10.0 114.571 -179.048 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -139.1 -17.57 1.04 Allowed 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 115.233 1.568 . . . . 10.0 115.233 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 77.02 -1.08 64.48 Favored Glycine 0 CA--C 1.539 1.554 0 N-CA-C 116.123 1.209 . . . . 10.0 116.123 178.29 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -151.39 160.51 43.71 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 118.904 1.352 . . . . 10.0 113.178 179.276 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 95.4 mt -134.24 136.32 53.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 126.494 1.918 . . . . 10.0 110.421 -177.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -96.4 127.15 42.13 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.342 1.457 . . . . 10.0 107.841 172.767 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 13.4 tpt -137.04 160.36 39.16 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.022 1.329 . . . . 10.0 111.623 -176.802 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -126.29 140.21 52.7 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.171 0.988 . . . . 10.0 112.114 177.766 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 36.6 t -60.51 116.88 4.66 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 126.599 1.96 . . . . 10.0 110.461 179.119 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -63.74 -13.89 47.67 Favored 'General case' 0 CA--C 1.549 0.934 0 N-CA-C 113.764 1.024 . . . . 10.0 113.764 -179.528 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -89.13 -37.71 14.86 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.976 1.71 . . . . 10.0 114.519 -177.088 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 23.0 p -139.19 -0.46 1.83 Allowed 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 116.582 2.067 . . . . 10.0 116.582 -177.401 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 81.32 -2.59 81.28 Favored Glycine 0 CA--C 1.537 1.459 0 N-CA-C 116.251 1.26 . . . . 10.0 116.251 177.008 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -61.49 134.85 57.34 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 118.881 1.34 . . . . 10.0 111.653 178.627 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -87.24 154.53 20.64 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 113.666 0.987 . . . . 10.0 113.666 -179.283 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -152.8 159.44 43.07 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 127.189 2.196 . . . . 10.0 108.649 177.487 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.416 ' H ' HD23 ' A' ' 48' ' ' LEU . 1.9 pt? -114.77 145.35 42.2 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.336 1.055 . . . . 10.0 110.512 175.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -132.84 145.23 50.79 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.856 1.262 . . . . 10.0 110.898 -179.374 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 14.7 m-80 -118.16 170.47 8.84 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.867 1.267 . . . . 10.0 111.152 -177.113 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.72 -37.35 68.31 Favored 'General case' 0 CA--C 1.546 0.808 0 O-C-N 121.481 -0.762 . . . . 10.0 111.933 176.036 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 77.3 mtm -64.73 -39.38 93.53 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.562 1.145 . . . . 10.0 112.228 176.703 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -69.44 -46.01 67.76 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.455 0.702 . . . . 10.0 110.713 176.607 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 47.7 mt -62.1 -36.92 76.88 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 C-N-CA 125.15 1.38 . . . . 10.0 111.582 -178.311 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.65 -38.09 83.71 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 118.338 0.517 . . . . 10.0 111.762 174.496 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -73.37 -43.75 60.03 Favored 'General case' 0 N--CA 1.467 0.419 0 O-C-N 121.536 -0.728 . . . . 10.0 110.538 175.55 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 71.7 mt . . . . . 0 N--CA 1.479 1.004 0 C-N-CA 124.844 1.258 . . . . 10.0 111.352 178.156 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.1 mpp? . . . . . 0 N--CA 1.487 1.382 0 N-CA-C 109.685 -0.487 . . . . 10.0 109.685 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 34.2 t0 -152.25 174.51 13.69 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.654 1.181 . . . . 10.0 111.99 -179.155 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.9 p -139.16 143.84 30.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 125.39 1.476 . . . . 10.0 111.422 179.311 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -97.03 31.69 2.34 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.756 1.622 . . . . 10.0 113.108 -177.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -141.0 94.95 2.77 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 126.05 1.74 . . . . 10.0 109.447 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -149.83 155.62 40.39 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.849 1.66 . . . . 10.0 110.892 -178.202 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.3 t -58.15 114.42 2.37 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.892 1.277 . . . . 10.0 109.225 173.353 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 64.2 p -71.27 -10.9 60.52 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 114.451 1.278 . . . . 10.0 114.451 -175.293 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.2 p -113.96 -87.95 0.56 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 127.339 2.255 . . . . 10.0 109.388 178.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.4 m -177.65 156.77 1.17 Allowed 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 126.895 2.078 . . . . 10.0 112.234 177.274 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 32.2 ttp85 -55.02 -30.17 58.95 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 124.585 1.154 . . . . 10.0 112.4 176.306 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -56.16 -31.6 63.54 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.407 1.483 . . . . 10.0 112.286 177.555 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -70.88 -45.42 64.42 Favored 'General case' 0 N--CA 1.477 0.877 0 O-C-N 121.15 -0.969 . . . . 10.0 110.272 176.121 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 17.3 t -61.6 -41.94 98.15 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.811 0.844 . . . . 10.0 110.944 174.303 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.49 -43.93 97.62 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.68 1.192 . . . . 10.0 111.785 176.421 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -60.88 -41.34 95.79 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 121.232 -0.917 . . . . 10.0 111.366 176.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.46 -33.57 72.76 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.24 1.016 . . . . 10.0 112.638 175.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.0 tp -75.84 -45.28 36.63 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.211 1.404 . . . . 10.0 110.292 176.16 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.8 tmtt? -53.52 -32.06 48.84 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 126.187 1.795 . . . . 10.0 115.147 -178.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 43.5 p -81.03 -12.5 59.33 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 114.664 1.357 . . . . 10.0 114.664 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 86.7 mt -69.23 153.0 96.38 Favored Pre-proline 0 CA--C 1.55 0.95 0 CA-C-N 119.661 1.118 . . . . 10.0 111.741 178.288 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -52.79 133.6 51.29 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 123.36 2.707 . . . . 10.0 112.882 178.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -56.98 -40.81 77.23 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.201 0.6 . . . . 10.0 112.31 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -64.99 -35.4 81.06 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.617 0.767 . . . . 10.0 112.922 177.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -69.74 -47.54 62.65 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 121.47 -0.768 . . . . 10.0 110.988 177.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 88.5 t -61.12 -46.94 95.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 123.544 0.738 . . . . 10.0 110.054 177.217 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -61.44 -39.63 91.53 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.573 0.749 . . . . 10.0 112.314 177.001 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 75.3 m -60.85 -44.21 97.29 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 118.734 0.697 . . . . 10.0 112.219 178.273 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 66.1 mt -65.41 -45.58 92.63 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 CA-C-N 118.675 0.671 . . . . 10.0 110.101 177.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 97.3 mt -60.54 -36.6 78.82 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 121.301 -0.874 . . . . 10.0 111.907 177.036 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.66 -10.96 60.41 Favored 'General case' 0 CA--C 1.55 0.947 0 N-CA-C 114.439 1.274 . . . . 10.0 114.439 177.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -121.05 -19.94 7.0 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 114.491 1.293 . . . . 10.0 114.491 -178.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -136.41 -14.81 1.7 Allowed 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 114.671 1.359 . . . . 10.0 114.671 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.75 -8.08 30.47 Favored Glycine 0 CA--C 1.536 1.405 0 C-N-CA 124.771 1.177 . . . . 10.0 115.831 178.533 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -156.9 169.78 23.99 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.156 1.383 . . . . 10.0 112.144 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.3 mt -132.85 136.46 55.62 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 C-N-CA 127.354 2.262 . . . . 10.0 108.404 -178.027 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -119.49 106.94 12.72 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 126.216 1.806 . . . . 10.0 108.449 178.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 26.3 ptm -139.93 157.56 45.49 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 114.585 1.328 . . . . 10.0 114.585 -176.107 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -94.42 141.87 28.09 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.929 1.692 . . . . 10.0 112.864 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 48.7 t -58.48 126.75 28.9 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.889 1.676 . . . . 10.0 110.823 176.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -63.15 -12.66 29.22 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 114.334 1.235 . . . . 10.0 114.334 -179.215 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -102.13 -32.29 10.19 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 114.961 1.467 . . . . 10.0 114.961 -177.412 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 26.5 p -138.81 -2.13 1.75 Allowed 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 116.798 2.147 . . . . 10.0 116.798 -176.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 78.78 -1.91 71.08 Favored Glycine 0 CA--C 1.539 1.556 0 N-CA-C 116.462 1.345 . . . . 10.0 116.462 177.307 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 -65.71 133.93 52.11 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 119.24 1.52 . . . . 10.0 110.97 178.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -82.44 151.16 26.68 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 113.67 0.989 . . . . 10.0 113.67 -177.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -149.7 156.52 42.01 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 126.99 2.116 . . . . 10.0 109.28 178.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 80.4 mt -112.67 141.85 45.97 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.58 0.752 . . . . 10.0 110.212 178.405 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -135.41 133.62 38.84 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 125.024 1.33 . . . . 10.0 110.44 -179.194 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 24.7 p30 -121.91 175.6 6.22 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.779 1.232 . . . . 10.0 111.416 177.325 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.58 -40.93 72.63 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 113.861 1.06 . . . . 10.0 113.861 -178.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 33.8 mmt -70.6 -39.52 73.77 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.436 0.694 . . . . 10.0 112.239 178.421 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -66.59 -43.31 85.25 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 121.466 -0.772 . . . . 10.0 110.949 177.23 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 66.1 mt -63.33 -35.73 73.35 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 C-N-CA 124.82 1.248 . . . . 10.0 110.116 175.277 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.48 -36.42 84.15 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 121.59 -0.694 . . . . 10.0 111.672 176.17 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -70.47 -41.84 72.22 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 121.371 -0.831 . . . . 10.0 110.477 175.333 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 64.6 mt -59.4 -42.72 88.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 124.197 0.999 . . . . 10.0 110.294 176.201 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 93.2 mtt-85 -65.36 -10.49 33.57 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 125.95 1.7 . . . . 10.0 114.202 176.219 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 50.8 m-80 -116.51 12.7 15.19 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 126.549 1.94 . . . . 10.0 111.972 177.427 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -135.64 -30.37 1.0 Allowed 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.436 1.495 . . . . 10.0 113.001 179.406 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -105.66 22.3 15.76 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 125.889 1.676 . . . . 10.0 112.834 178.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 68.3 m . . . . . 0 C--O 1.253 1.258 0 C-N-CA 126.973 2.109 . . . . 10.0 111.831 -178.897 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.9 ttm . . . . . 0 N--CA 1.486 1.337 0 N-CA-C 110.203 -0.295 . . . . 10.0 110.203 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -149.62 140.37 22.68 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.145 1.378 . . . . 10.0 110.533 178.455 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.5 m -87.93 145.62 7.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 124.771 1.229 . . . . 10.0 112.31 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -83.67 28.08 0.59 Allowed 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.626 1.57 . . . . 10.0 113.194 179.28 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -151.15 150.72 30.97 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 126.781 2.032 . . . . 10.0 110.001 -179.374 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 68.0 mmtt -141.63 161.38 38.07 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.648 1.579 . . . . 10.0 111.072 -178.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 41.9 t 61.98 166.17 0.1 Allowed 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 128.319 2.648 . . . . 10.0 113.261 -177.589 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.0 p -84.26 -17.49 39.54 Favored 'General case' 0 N--CA 1.478 0.927 0 O-C-N 120.913 -1.117 . . . . 10.0 111.043 175.26 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 67.6 m -82.47 -161.63 0.49 Allowed 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 127.388 2.275 . . . . 10.0 111.005 175.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.1 m -138.7 167.37 22.12 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 127.153 2.181 . . . . 10.0 108.925 176.127 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.6 mtp-105 -54.66 -32.92 59.95 Favored 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 112.822 0.675 . . . . 10.0 112.822 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -56.67 -38.4 72.16 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.86 1.664 . . . . 10.0 113.232 178.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.8 mmt85 -67.13 -45.53 76.86 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.768 0.827 . . . . 10.0 111.868 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 14.3 t -68.94 -39.45 79.57 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.174 0.989 . . . . 10.0 111.461 175.19 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.64 -41.42 97.48 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.587 1.155 . . . . 10.0 112.242 178.68 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -60.47 -35.48 75.98 Favored 'General case' 0 CA--C 1.541 0.635 0 CA-C-N 119.002 0.819 . . . . 10.0 112.561 178.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.71 -33.77 76.37 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 123.684 0.794 . . . . 10.0 112.201 175.677 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.0 tp -76.33 -43.22 42.05 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.629 1.572 . . . . 10.0 110.824 176.08 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.6 ttmt -51.2 -39.91 57.53 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 127.612 2.365 . . . . 10.0 114.184 178.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 42.7 p -73.83 -14.75 61.14 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 114.416 1.265 . . . . 10.0 114.416 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 85.0 mt -68.68 149.3 97.99 Favored Pre-proline 0 CA--C 1.546 0.817 0 CA-C-N 119.546 1.066 . . . . 10.0 110.786 177.26 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -53.19 135.91 60.77 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 123.233 2.622 . . . . 10.0 112.963 179.222 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -56.27 -42.27 77.18 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.45 0.7 . . . . 10.0 112.204 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -65.54 -36.35 83.56 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.113 0.965 . . . . 10.0 112.564 177.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -69.55 -44.73 70.31 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.347 -0.845 . . . . 10.0 110.805 177.07 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 65.3 t -61.05 -47.61 92.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 123.888 0.875 . . . . 10.0 109.841 175.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -60.17 -38.57 83.59 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.941 0.896 . . . . 10.0 112.354 176.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.6 t -59.77 -43.16 94.47 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.665 0.786 . . . . 10.0 111.933 177.529 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 71.9 mt -66.96 -46.94 83.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 O-C-N 121.507 -0.746 . . . . 10.0 109.965 176.642 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 97.3 mt -60.05 -34.28 73.21 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.387 -0.821 . . . . 10.0 112.56 178.39 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.9 -11.48 56.27 Favored 'General case' 0 CA--C 1.549 0.934 0 N-CA-C 114.191 1.182 . . . . 10.0 114.191 177.066 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -121.75 -20.13 6.55 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 114.182 1.179 . . . . 10.0 114.182 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -131.13 -14.37 3.42 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 115.361 1.615 . . . . 10.0 115.361 -178.486 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 71.08 -10.14 3.49 Favored Glycine 0 CA--C 1.541 1.693 0 C-N-CA 125.107 1.337 . . . . 10.0 116.085 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -156.78 166.08 34.4 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 126.761 2.024 . . . . 10.0 111.051 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 58.5 mt -129.6 136.26 59.6 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 C-N-CA 125.933 1.693 . . . . 10.0 110.218 -176.453 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -100.45 94.42 6.14 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.153 1.781 . . . . 10.0 108.169 176.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 39.5 tpp -101.27 153.19 19.85 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.154 1.381 . . . . 10.0 111.841 -176.252 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 67.1 m-70 -116.2 139.04 50.76 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.05 0.94 . . . . 10.0 112.115 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 40.5 t -51.67 114.86 1.39 Allowed 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 127.221 2.208 . . . . 10.0 110.254 177.524 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -63.64 -13.31 41.22 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 113.143 0.794 . . . . 10.0 113.143 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -99.49 -37.38 9.21 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 126.292 1.837 . . . . 10.0 114.009 -178.562 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 9.6 m -129.46 -11.88 4.49 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 116.766 2.136 . . . . 10.0 116.766 -173.461 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 82.89 -6.22 71.66 Favored Glycine 0 CA--C 1.539 1.563 0 C-N-CA 124.913 1.244 . . . . 10.0 115.983 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -62.63 143.97 56.74 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 119.447 1.623 . . . . 10.0 111.91 178.529 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 9.1 p-80 -82.78 151.52 26.08 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 113.899 1.074 . . . . 10.0 113.899 -177.526 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -149.86 143.84 25.57 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 127.164 2.185 . . . . 10.0 108.081 178.248 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 80.8 mt -106.6 140.44 39.47 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 122.023 -0.423 . . . . 10.0 111.395 -179.254 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -136.15 121.99 19.91 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.657 1.583 . . . . 10.0 110.629 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 22.1 p30 -97.86 170.42 8.97 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.595 0.758 . . . . 10.0 111.592 177.528 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.07 -40.58 70.51 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 113.797 1.036 . . . . 10.0 113.797 -177.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 91.9 mmm -70.62 -37.89 73.88 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.251 0.62 . . . . 10.0 112.49 178.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -71.12 -42.23 69.49 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 121.356 -0.84 . . . . 10.0 111.166 178.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 78.0 mt -60.39 -37.64 75.05 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 C-N-CA 124.879 1.271 . . . . 10.0 110.4 175.596 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.24 -40.07 92.66 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 122.556 0.343 . . . . 10.0 111.688 178.105 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -72.66 -43.22 63.45 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 121.613 -0.679 . . . . 10.0 111.228 176.123 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 54.3 mt -58.01 -41.02 79.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 124.362 1.065 . . . . 10.0 111.879 178.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.6 ttt85 -81.74 -15.76 53.31 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 114.766 1.395 . . . . 10.0 114.766 -178.666 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 65.9 m-80 -110.88 -5.52 14.88 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 114.853 1.427 . . . . 10.0 114.853 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -131.37 -2.57 3.88 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.729 1.612 . . . . 10.0 112.878 177.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 60.81 7.54 1.49 Allowed 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 127.45 2.3 . . . . 10.0 116.562 178.411 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 41.4 m . . . . . 0 C--O 1.252 1.191 0 C-N-CA 126.592 1.957 . . . . 10.0 112.1 179.501 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.0 mtt . . . . . 0 N--CA 1.488 1.448 0 N-CA-C 110.288 -0.264 . . . . 10.0 110.288 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -150.53 154.73 38.13 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.046 1.338 . . . . 10.0 111.67 -179.27 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.3 p -151.64 151.42 12.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 125.307 1.443 . . . . 10.0 111.172 179.028 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -148.91 139.87 22.94 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.406 1.482 . . . . 10.0 110.341 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -62.33 163.21 8.78 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.033 1.333 . . . . 10.0 113.432 178.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.39 14.67 3.78 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 115.167 1.543 . . . . 10.0 115.167 -179.393 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.3 t -147.15 131.34 17.39 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 126.715 2.006 . . . . 10.0 110.393 178.295 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 56.9 m -85.68 -29.08 24.27 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.803 1.641 . . . . 10.0 112.507 -178.649 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 31.6 p -100.21 -119.78 0.16 Allowed 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 125.352 1.461 . . . . 10.0 112.654 -178.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.3 t -159.31 166.08 32.0 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 125.826 1.65 . . . . 10.0 112.544 -177.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 73.9 ttt-85 -54.91 -30.67 58.96 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 126.306 1.842 . . . . 10.0 111.594 174.261 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -57.11 -39.11 74.45 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.415 1.486 . . . . 10.0 112.874 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 51.8 mtp85 -69.64 -39.95 76.79 Favored 'General case' 0 N--CA 1.477 0.92 0 O-C-N 121.317 -0.864 . . . . 10.0 111.365 176.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 11.6 t -66.29 -39.48 89.41 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.549 0.74 . . . . 10.0 111.43 176.096 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.55 -47.42 85.6 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.074 1.35 . . . . 10.0 111.014 177.278 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -61.45 -38.32 86.77 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.767 0.827 . . . . 10.0 111.894 177.539 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.73 -33.53 75.84 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.818 0.847 . . . . 10.0 113.147 176.545 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.4 tp -76.14 -45.33 34.14 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.297 1.039 . . . . 10.0 111.088 177.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.2 pttt -57.26 -28.89 63.37 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 115.102 1.519 . . . . 10.0 115.102 -176.436 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 41.1 p -76.96 -11.44 59.81 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 114.328 1.233 . . . . 10.0 114.328 -179.084 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 77.0 mt -69.06 154.91 94.55 Favored Pre-proline 0 CA--C 1.551 0.997 0 CA-C-N 119.243 0.929 . . . . 10.0 112.43 178.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -50.2 132.83 34.72 Favored 'Trans proline' 0 C--N 1.353 0.775 0 C-N-CA 124.283 3.322 . . . . 10.0 114.257 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 -57.28 -39.84 76.52 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.096 0.958 . . . . 10.0 113.486 -178.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -64.93 -41.76 95.25 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.133 0.573 . . . . 10.0 112.315 179.717 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -67.62 -43.68 79.82 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 121.372 -0.83 . . . . 10.0 111.287 178.055 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 55.2 t -60.41 -48.78 86.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 123.774 0.83 . . . . 10.0 110.139 176.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -61.73 -42.5 99.04 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 112.826 0.676 . . . . 10.0 112.826 178.348 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.6 m -59.7 -42.96 94.19 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.096 0.862 . . . . 10.0 113.068 179.154 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 64.6 mt -66.79 -47.11 83.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 CA-C-N 119.04 0.836 . . . . 10.0 110.144 178.035 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 91.0 mt -60.41 -37.33 80.51 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.417 -0.802 . . . . 10.0 112.328 178.304 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.39 -10.83 55.05 Favored 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 114.745 1.387 . . . . 10.0 114.745 178.152 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -124.46 -22.78 4.58 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 114.443 1.275 . . . . 10.0 114.443 -179.586 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -127.45 -15.46 5.09 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 114.799 1.407 . . . . 10.0 114.799 -179.075 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 71.01 0.8 36.66 Favored Glycine 0 CA--C 1.539 1.558 0 CA-C-N 119.401 1.0 . . . . 10.0 115.445 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -152.48 158.96 43.33 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 125.364 1.466 . . . . 10.0 112.963 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 70.7 mt -134.44 136.48 52.8 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 C-N-CA 126.713 2.005 . . . . 10.0 107.909 175.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -110.32 134.77 51.95 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.982 1.313 . . . . 10.0 108.524 176.124 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 45.8 tpp -131.21 147.87 52.64 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.159 0.984 . . . . 10.0 111.299 -177.656 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 56.7 t-80 -94.93 137.37 34.08 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.907 1.283 . . . . 10.0 113.009 -177.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 49.0 t -81.83 84.81 6.77 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 126.995 2.118 . . . . 10.0 108.794 175.165 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -60.29 -20.38 58.9 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 121.481 -0.762 . . . . 10.0 112.667 179.382 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -68.09 -36.21 79.41 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.875 1.67 . . . . 10.0 113.764 177.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 11.8 m -130.12 -29.68 2.04 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 116.517 2.043 . . . . 10.0 116.517 -173.183 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 100.95 47.06 1.65 Allowed Glycine 0 CA--C 1.536 1.347 0 CA-C-N 119.088 0.858 . . . . 10.0 112.951 -178.391 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -132.73 -177.85 4.68 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 126.472 1.909 . . . . 10.0 110.607 -178.603 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -142.17 160.43 40.25 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 120.517 -1.364 . . . . 10.0 111.975 177.079 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -148.65 148.22 29.83 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 125.476 1.51 . . . . 10.0 108.737 -178.395 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -114.21 144.28 43.46 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.158 0.983 . . . . 10.0 112.625 -179.194 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -135.91 152.88 51.46 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 126.699 2.0 . . . . 10.0 111.266 -174.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 26.9 m120 -121.53 171.99 8.41 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.334 1.454 . . . . 10.0 110.696 178.562 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.45 -43.55 75.55 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.597 0.962 . . . . 10.0 113.597 -178.249 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.07 -37.14 75.4 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.324 0.649 . . . . 10.0 112.643 177.265 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -69.74 -42.95 73.27 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 119.18 0.9 . . . . 10.0 110.792 178.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 87.9 mt -61.17 -38.08 78.9 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 C-N-CA 124.738 1.215 . . . . 10.0 110.044 175.226 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.19 -40.76 98.42 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.828 -0.545 . . . . 10.0 111.609 176.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -71.05 -39.52 72.21 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 121.614 -0.679 . . . . 10.0 111.303 176.302 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 44.5 mt -58.29 -39.19 72.9 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.747 0 O-C-N 121.203 -0.936 . . . . 10.0 109.937 174.01 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 18.1 mmt85 -73.41 -13.82 61.15 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 115.802 1.778 . . . . 10.0 115.802 177.714 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -130.13 -11.2 4.2 Favored 'General case' 0 N--CA 1.484 1.229 0 N-CA-C 116.662 2.097 . . . . 10.0 116.662 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -141.58 -8.04 0.97 Allowed 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 125.728 1.611 . . . . 10.0 113.571 -179.213 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 51.92 24.2 2.47 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 126.037 1.735 . . . . 10.0 115.565 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 37.9 m . . . . . 0 C--O 1.252 1.193 0 C-N-CA 126.95 2.1 . . . . 10.0 111.754 -179.38 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.1 ttt . . . . . 0 N--CA 1.486 1.341 0 N-CA-C 110.233 -0.284 . . . . 10.0 110.233 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -77.09 61.46 2.03 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 125.309 1.443 . . . . 10.0 112.35 178.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 29.4 m -61.59 152.28 6.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 125.283 1.433 . . . . 10.0 113.559 -178.474 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -97.23 31.35 2.49 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.871 1.668 . . . . 10.0 111.835 178.63 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -59.59 135.1 57.57 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.833 1.653 . . . . 10.0 113.653 -177.062 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 19.5 pttm -170.71 177.17 3.98 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 128.41 2.684 . . . . 10.0 109.719 -179.511 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.9 t -73.81 53.35 0.45 Allowed 'General case' 0 CA--C 1.556 1.173 0 C-N-CA 125.351 1.46 . . . . 10.0 111.576 174.647 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.5 t -63.58 -26.29 68.62 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 120.53 -1.356 . . . . 10.0 111.543 178.592 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 26.7 p -64.47 -34.41 78.13 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 126.63 1.972 . . . . 10.0 111.997 175.274 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.7 t 52.07 -168.45 0.04 OUTLIER 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 127.461 2.305 . . . . 10.0 115.52 175.545 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 54.5 ttt85 -55.57 -34.48 64.8 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.575 1.55 . . . . 10.0 111.039 174.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -58.61 -48.6 80.45 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.753 0.821 . . . . 10.0 112.891 -179.404 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 -76.28 -32.6 58.88 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 121.197 -0.939 . . . . 10.0 112.135 175.567 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 6.4 t -61.22 -38.47 86.71 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 118.944 0.793 . . . . 10.0 110.701 174.176 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.56 -39.13 84.94 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.466 1.106 . . . . 10.0 110.563 173.58 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -61.36 -35.1 76.52 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.323 1.049 . . . . 10.0 111.753 175.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.51 -33.46 75.73 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 124.35 1.06 . . . . 10.0 111.874 174.208 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.3 tp -76.07 -43.1 45.19 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.822 1.649 . . . . 10.0 110.645 176.504 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 27.3 ttmt -49.11 -37.09 20.54 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 127.993 2.517 . . . . 10.0 114.309 178.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 52.1 p -77.68 -13.1 60.0 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 114.495 1.295 . . . . 10.0 114.495 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 94.5 mt -71.03 151.5 94.93 Favored Pre-proline 0 CA--C 1.548 0.901 0 CA-C-N 119.592 1.087 . . . . 10.0 111.446 177.68 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -53.67 132.18 47.83 Favored 'Trans proline' 0 C--N 1.351 0.706 0 C-N-CA 123.323 2.682 . . . . 10.0 112.993 178.199 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -55.27 -43.64 74.91 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.975 0.91 . . . . 10.0 112.746 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -63.59 -37.99 89.41 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.931 0.892 . . . . 10.0 112.45 178.434 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -69.36 -45.1 70.18 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 121.256 -0.902 . . . . 10.0 110.982 177.373 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 62.5 t -59.39 -48.77 85.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 123.858 0.863 . . . . 10.0 110.076 176.498 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -62.15 -39.75 93.68 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.804 0.842 . . . . 10.0 112.441 177.231 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.4 t -59.88 -45.67 91.75 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.017 0.927 . . . . 10.0 112.077 178.345 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 75.1 mt -63.46 -44.96 99.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 O-C-N 121.672 -0.643 . . . . 10.0 110.557 177.367 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 92.5 mt -60.13 -38.7 83.86 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.363 -0.836 . . . . 10.0 111.813 176.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.57 -10.21 33.33 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 114.799 1.407 . . . . 10.0 114.799 178.202 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -124.77 -12.79 7.07 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 115.061 1.504 . . . . 10.0 115.061 179.008 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -143.59 -13.83 0.67 Allowed 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 115.676 1.732 . . . . 10.0 115.676 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 71.89 -3.42 20.3 Favored Glycine 0 CA--C 1.539 1.589 0 N-CA-C 116.404 1.322 . . . . 10.0 116.404 178.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -151.42 163.09 39.75 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 119.172 1.486 . . . . 10.0 113.25 179.384 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.6 mt -138.12 136.24 44.81 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 C-N-CA 127.279 2.232 . . . . 10.0 108.821 -178.21 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -104.69 132.18 51.24 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.195 0.998 . . . . 10.0 108.858 174.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 90.8 mmm -131.06 153.79 48.93 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 125.848 1.659 . . . . 10.0 110.637 -176.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 19.9 p-80 -128.63 142.01 51.17 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 123.686 0.795 . . . . 10.0 112.641 179.259 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 87.7 m -64.22 109.03 1.73 Allowed 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 125.845 1.658 . . . . 10.0 110.9 177.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -62.05 -23.1 66.27 Favored 'General case' 0 CA--C 1.553 1.063 0 CA-C-O 122.171 0.986 . . . . 10.0 110.663 172.606 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -66.56 -43.46 84.99 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 129.776 3.231 . . . . 10.0 114.95 179.47 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 31.8 p -141.5 -14.74 0.85 Allowed 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 117.759 2.503 . . . . 10.0 117.759 -173.429 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 96.31 -3.05 63.63 Favored Glycine 0 CA--C 1.539 1.541 0 C-N-CA 124.728 1.156 . . . . 10.0 115.797 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -66.42 165.61 13.97 Favored 'General case' 0 CA--C 1.553 1.086 0 CA-C-N 119.372 1.586 . . . . 10.0 111.379 177.016 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -124.71 153.73 41.91 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.441 1.497 . . . . 10.0 112.373 -179.505 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -151.19 148.05 27.76 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 126.313 1.845 . . . . 10.0 108.557 177.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.4 pp -114.14 142.61 46.01 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 123.56 0.744 . . . . 10.0 110.598 178.293 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -129.38 138.44 51.52 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 125.46 1.504 . . . . 10.0 109.909 -177.003 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.6 m-80 -107.03 174.82 5.72 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.587 1.555 . . . . 10.0 111.248 -176.395 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.18 -37.49 67.12 Favored 'General case' 0 CA--C 1.547 0.845 0 O-C-N 120.981 -1.074 . . . . 10.0 111.961 177.066 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 24.6 ptp -64.9 -37.26 87.05 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.084 0.953 . . . . 10.0 112.634 174.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -65.99 -47.79 73.35 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 121.269 -0.894 . . . . 10.0 110.487 176.62 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.8 mp -59.96 -40.22 82.38 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 C-N-CA 123.52 0.728 . . . . 10.0 110.387 176.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.96 -37.73 80.44 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.567 0.747 . . . . 10.0 111.997 176.356 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -73.56 -41.05 63.44 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 121.052 -1.03 . . . . 10.0 111.36 174.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 63.7 mt -60.54 -43.96 95.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 124.04 0.936 . . . . 10.0 111.408 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -66.02 -31.47 72.38 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-N 119.781 1.173 . . . . 10.0 113.277 178.183 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 51.6 m-80 -81.97 1.78 33.85 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 124.656 1.183 . . . . 10.0 113.346 175.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -120.91 -27.13 5.06 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.859 1.664 . . . . 10.0 112.297 178.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.62 -9.94 58.13 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 125.592 1.557 . . . . 10.0 114.123 176.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.0 m . . . . . 0 C--O 1.252 1.204 0 C-N-CA 127.998 2.519 . . . . 10.0 114.779 -179.189 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.574 0.225 . . . . 10.0 111.322 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -146.65 137.17 23.84 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.135 1.374 . . . . 10.0 110.776 178.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.8 p -156.06 150.6 10.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 124.895 1.278 . . . . 10.0 111.275 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.56 166.63 29.67 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.216 1.806 . . . . 10.0 109.829 178.244 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -125.61 20.12 7.92 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 125.638 1.575 . . . . 10.0 112.802 -177.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -24.77 112.84 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 130.702 3.601 . . . . 10.0 115.78 -178.12 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.7 t -72.01 171.56 11.63 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 126.92 2.088 . . . . 10.0 112.81 176.53 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 27.3 p -77.74 -15.26 59.25 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.133 0.973 . . . . 10.0 112.246 175.147 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 22.1 p -90.5 177.2 6.44 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 125.462 1.505 . . . . 10.0 112.65 177.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.9 m -73.13 136.85 44.89 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 114.14 1.163 . . . . 10.0 114.14 -178.281 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 39.7 ttt180 -55.19 -39.84 70.06 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 125.951 1.701 . . . . 10.0 112.146 175.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -55.05 -45.51 75.27 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.809 1.644 . . . . 10.0 112.469 -179.264 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -60.24 -43.34 96.18 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.056 0.942 . . . . 10.0 112.374 178.561 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 12.2 t -72.71 -41.46 65.22 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-O 121.084 0.469 . . . . 10.0 111.935 176.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.35 -39.97 92.55 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.966 0.906 . . . . 10.0 111.966 178.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -57.81 -40.34 79.74 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.093 0.957 . . . . 10.0 112.335 177.483 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.5 -33.92 74.62 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 123.777 0.831 . . . . 10.0 112.471 176.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.4 tp -76.67 -45.34 30.11 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 125.054 1.342 . . . . 10.0 109.978 174.39 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.98 -32.52 54.25 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 126.859 2.064 . . . . 10.0 115.627 -178.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 37.3 p -68.81 -19.72 64.29 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 113.848 1.055 . . . . 10.0 113.848 178.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 87.9 mt -72.02 149.48 92.28 Favored Pre-proline 0 CA--C 1.549 0.93 0 C-N-CA 123.924 0.89 . . . . 10.0 110.743 176.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -54.16 136.53 68.14 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 122.913 2.409 . . . . 10.0 112.296 178.038 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -56.82 -41.38 77.72 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 112.805 0.669 . . . . 10.0 112.805 -179.143 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -61.57 -38.72 88.55 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.754 0.822 . . . . 10.0 112.324 177.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -67.76 -45.64 74.33 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 121.554 -0.716 . . . . 10.0 110.585 177.119 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 72.7 t -60.7 -47.87 91.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 123.983 0.913 . . . . 10.0 110.728 177.008 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -64.03 -34.8 78.83 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.568 0.747 . . . . 10.0 112.93 179.489 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 31.3 p -60.47 -35.7 76.5 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 112.964 0.728 . . . . 10.0 112.964 178.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 62.7 mt -68.71 -44.09 82.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 C-N-CA 123.5 0.72 . . . . 10.0 109.676 176.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 87.0 mt -61.83 -33.78 74.76 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 121.165 -0.96 . . . . 10.0 111.677 176.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.92 -5.71 49.59 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 124.967 1.307 . . . . 10.0 114.333 176.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -126.37 -29.82 2.93 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 114.38 1.252 . . . . 10.0 114.38 -176.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -128.19 -19.06 3.98 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.954 1.701 . . . . 10.0 113.899 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 79.26 -5.51 59.51 Favored Glycine 0 CA--C 1.537 1.415 0 N-CA-C 115.887 1.115 . . . . 10.0 115.887 178.447 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -154.14 161.13 42.08 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.831 1.252 . . . . 10.0 112.375 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 79.2 mt -129.79 136.85 58.11 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 C-N-CA 127.336 2.254 . . . . 10.0 109.057 -179.04 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -113.48 132.36 55.7 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.643 1.577 . . . . 10.0 109.269 177.273 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 22.7 mmt -136.01 149.01 48.66 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.048 1.339 . . . . 10.0 111.218 -179.037 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -94.96 137.64 33.75 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.107 0.963 . . . . 10.0 110.977 177.105 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 51.1 t -77.07 92.06 3.72 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 126.017 1.727 . . . . 10.0 109.288 177.472 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -60.76 -20.85 62.23 Favored 'General case' 0 CA--C 1.549 0.908 0 O-C-N 121.139 -0.976 . . . . 10.0 112.813 179.464 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -74.77 -41.23 60.43 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.771 2.028 . . . . 10.0 114.294 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.8 m -123.43 -19.07 6.01 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 115.916 1.821 . . . . 10.0 115.916 -174.388 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 97.26 -0.17 60.01 Favored Glycine 0 CA--C 1.541 1.707 0 C-N-CA 125.592 1.568 . . . . 10.0 114.128 -177.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -79.2 -164.96 0.69 Allowed 'General case' 0 CA--C 1.558 1.254 0 C-N-CA 126.825 2.05 . . . . 10.0 112.86 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -133.82 163.71 28.87 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 127.419 2.288 . . . . 10.0 111.065 177.543 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -147.06 142.89 27.91 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 126.849 2.06 . . . . 10.0 107.795 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 91.1 mt -114.63 141.76 47.36 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.169 0.988 . . . . 10.0 110.05 177.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -135.4 141.76 45.54 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.257 1.023 . . . . 10.0 112.002 -178.32 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -126.6 172.83 9.93 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 126.488 1.915 . . . . 10.0 109.796 176.247 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.21 -40.1 70.41 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.622 1.169 . . . . 10.0 113.222 179.092 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 5.0 ppp? -65.84 -37.35 85.97 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 118.978 0.808 . . . . 10.0 112.651 177.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -72.21 -46.88 54.38 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.334 1.054 . . . . 10.0 110.769 177.441 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 65.7 mt -60.4 -33.14 53.02 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 C-N-CA 126.322 1.849 . . . . 10.0 111.696 178.096 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.83 -34.48 67.79 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 118.634 0.652 . . . . 10.0 111.894 174.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 65.5 mt-10 -73.83 -44.41 55.76 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 121.391 -0.818 . . . . 10.0 110.526 174.395 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 96.4 mt -58.23 -36.94 59.95 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 125.064 1.345 . . . . 10.0 111.438 178.251 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 82.5 mtt180 -65.95 -16.27 63.73 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 126.274 1.83 . . . . 10.0 112.735 175.351 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 66.1 m-80 -120.23 25.26 9.97 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 127.805 2.442 . . . . 10.0 110.899 177.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 63.8 t30 47.66 34.7 3.84 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 127.661 2.384 . . . . 10.0 114.379 -179.548 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 50.25 33.39 7.25 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 126.631 1.972 . . . . 10.0 114.505 -177.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 68.3 m . . . . . 0 C--O 1.254 1.298 0 C-N-CA 126.212 1.805 . . . . 10.0 113.772 179.974 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.9 ptt? . . . . . 0 N--CA 1.488 1.44 0 CA-C-O 120.513 0.197 . . . . 10.0 111.413 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -144.77 139.22 27.69 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.306 1.443 . . . . 10.0 110.823 179.631 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.2 p -156.03 152.12 8.82 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 125.292 1.437 . . . . 10.0 110.972 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -149.98 134.12 17.13 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.114 1.366 . . . . 10.0 110.368 179.263 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 37.7 p90 -72.15 153.18 41.8 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.584 0.754 . . . . 10.0 111.675 177.264 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -135.35 155.81 49.97 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.917 1.687 . . . . 10.0 110.804 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -69.29 151.0 46.76 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.456 1.502 . . . . 10.0 111.875 178.413 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 76.3 p -89.82 -10.47 45.3 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 121.749 -0.594 . . . . 10.0 112.051 174.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 26.3 p -123.86 -119.04 0.28 Allowed 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 127.689 2.396 . . . . 10.0 110.78 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.0 m -160.66 164.15 31.97 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 125.068 1.347 . . . . 10.0 113.834 -178.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 58.7 ttt85 -54.83 -33.28 61.46 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 126.341 1.856 . . . . 10.0 113.072 178.568 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -56.26 -38.23 70.86 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.863 1.265 . . . . 10.0 112.526 -179.351 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 64.0 mtp85 -68.13 -41.27 81.92 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 121.684 -0.635 . . . . 10.0 111.421 176.434 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 8.2 t -66.53 -39.94 88.86 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.439 0.696 . . . . 10.0 111.202 176.609 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.16 -44.29 95.92 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.794 1.238 . . . . 10.0 110.913 176.264 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -59.55 -41.57 90.4 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.878 0.871 . . . . 10.0 111.621 176.502 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.68 -34.23 77.73 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 112.821 0.675 . . . . 10.0 112.821 176.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 19.4 tp -77.94 -46.24 21.73 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.748 1.219 . . . . 10.0 112.099 177.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.9 pttp -65.67 -24.54 67.03 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 114.876 1.435 . . . . 10.0 114.876 -177.384 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.5 p -78.32 -11.91 59.97 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.004 0.922 . . . . 10.0 113.299 178.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 91.9 mt -73.58 158.95 85.68 Favored Pre-proline 0 CA--C 1.55 0.946 0 C-N-CA 124.533 1.133 . . . . 10.0 110.286 173.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -52.09 123.92 13.61 Favored 'Trans proline' 0 CA--C 1.538 0.702 0 C-N-CA 123.14 2.56 . . . . 10.0 111.709 176.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -55.45 -40.56 71.72 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 113.194 0.813 . . . . 10.0 113.194 -177.026 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -62.35 -35.91 80.58 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.936 0.894 . . . . 10.0 112.77 177.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -68.41 -41.54 80.28 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 121.211 -0.931 . . . . 10.0 110.628 177.175 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 96.1 t -64.26 -47.97 87.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 124.19 0.996 . . . . 10.0 109.722 175.659 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -61.34 -35.53 77.66 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.231 1.012 . . . . 10.0 113.035 178.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 74.1 m -59.88 -39.7 86.17 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.609 0.764 . . . . 10.0 112.31 178.563 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 53.9 mt -68.75 -44.81 81.92 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 CA-C-N 118.521 0.6 . . . . 10.0 109.783 176.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 98.4 mt -59.53 -37.69 79.04 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.472 -0.767 . . . . 10.0 111.947 177.588 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.16 -8.71 48.09 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 124.897 1.279 . . . . 10.0 114.421 177.184 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -125.28 -20.67 4.77 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 114.68 1.363 . . . . 10.0 114.68 -179.136 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -138.68 -13.87 1.26 Allowed 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 115.174 1.546 . . . . 10.0 115.174 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 75.65 -7.54 25.67 Favored Glycine 0 CA--C 1.539 1.544 0 N-CA-C 116.411 1.324 . . . . 10.0 116.411 178.484 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -151.44 160.74 43.58 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 119.109 1.454 . . . . 10.0 113.811 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 66.6 mt -138.65 125.73 26.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 C-N-CA 127.128 2.171 . . . . 10.0 109.681 -177.395 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -92.94 115.92 28.57 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 107.671 -1.233 . . . . 10.0 107.671 173.014 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 16.9 tpt -107.42 144.6 34.1 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.588 1.155 . . . . 10.0 111.673 -176.632 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 31.7 t-80 -94.82 132.67 39.37 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.732 1.213 . . . . 10.0 111.896 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 8.9 t -80.9 75.09 7.86 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 126.087 1.755 . . . . 10.0 109.098 176.219 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -52.57 -21.12 3.52 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 114.623 1.342 . . . . 10.0 114.623 -177.156 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -66.14 -36.25 82.64 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.943 1.697 . . . . 10.0 114.513 177.53 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 26.5 p -137.84 -20.93 1.13 Allowed 'General case' 0 CA--C 1.55 0.947 0 N-CA-C 116.847 2.165 . . . . 10.0 116.847 -179.367 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.82 -4.03 16.94 Favored Glycine 0 CA--C 1.536 1.355 0 CA-C-N 120.176 1.353 . . . . 10.0 116.285 175.568 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -75.03 -174.09 2.15 Favored 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 124.517 1.127 . . . . 10.0 111.751 178.525 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 3.8 p80 -143.64 160.91 39.84 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 120.355 -1.466 . . . . 10.0 111.105 176.016 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -148.99 136.24 20.1 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 125.356 1.463 . . . . 10.0 108.531 -179.392 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 62.2 tp -95.8 140.94 29.86 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.72 0.808 . . . . 10.0 109.837 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -132.95 141.97 48.62 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 125.864 1.666 . . . . 10.0 109.647 -179.173 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 25.8 p30 -121.94 174.17 7.06 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.31 1.044 . . . . 10.0 111.513 177.577 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.52 -38.5 69.32 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 113.691 0.997 . . . . 10.0 113.691 -179.564 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 21.1 mmt -70.36 -39.51 74.59 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.322 0.649 . . . . 10.0 112.112 179.223 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -71.88 -42.26 67.03 Favored 'General case' 0 N--CA 1.469 0.502 0 O-C-N 121.517 -0.739 . . . . 10.0 111.589 178.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 71.4 mt -64.48 -33.81 65.4 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 C-N-CA 124.508 1.123 . . . . 10.0 110.517 176.164 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.09 -35.03 77.44 Favored 'General case' 0 CA--C 1.544 0.748 0 O-C-N 121.658 -0.651 . . . . 10.0 111.933 175.641 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -73.57 -40.78 63.66 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 121.5 -0.75 . . . . 10.0 110.693 174.411 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 74.8 mt -58.09 -42.5 83.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 O-C-N 120.764 -1.21 . . . . 10.0 109.932 176.271 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 74.6 mtt180 -61.41 -17.22 53.2 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 127.014 2.126 . . . . 10.0 115.408 176.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 36.4 p30 -132.97 -0.25 3.41 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 115.955 1.835 . . . . 10.0 115.955 -178.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -133.12 -13.07 2.79 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.45 1.5 . . . . 10.0 113.69 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -126.32 -1.06 6.97 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 113.884 1.068 . . . . 10.0 113.884 178.456 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 37.5 m . . . . . 0 C--O 1.253 1.239 0 C-N-CA 127.289 2.236 . . . . 10.0 111.593 178.781 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 93.7 mtp . . . . . 0 N--CA 1.487 1.406 0 N-CA-C 110.09 -0.337 . . . . 10.0 110.09 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -152.09 138.86 18.86 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.788 1.235 . . . . 10.0 111.205 179.228 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 13.6 p -156.61 144.85 11.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 125.042 1.337 . . . . 10.0 110.979 178.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -82.81 85.89 7.0 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.736 1.214 . . . . 10.0 110.482 178.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -58.84 143.76 46.45 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 114.692 1.367 . . . . 10.0 114.692 -176.425 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 69.2 mmtt -146.86 149.68 33.76 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 128.592 2.757 . . . . 10.0 107.941 177.443 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.6 t -69.62 158.88 34.46 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-O 122.045 0.926 . . . . 10.0 113.272 177.318 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.1 t -67.23 -32.7 73.91 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 125.378 1.471 . . . . 10.0 111.749 175.433 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 31.2 p -85.67 169.09 13.8 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 123.553 0.741 . . . . 10.0 111.379 175.451 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.0 t -49.73 120.69 4.46 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 116.812 2.153 . . . . 10.0 116.812 -171.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.53 -32.55 72.6 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 127.101 2.161 . . . . 10.0 111.229 173.202 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -59.92 -38.32 82.0 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.201 1.0 . . . . 10.0 112.349 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 85.6 mtt-85 -64.23 -45.56 87.66 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.383 0.673 . . . . 10.0 111.478 178.016 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 21.4 t -66.48 -40.44 89.31 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 122.833 0.453 . . . . 10.0 112.09 175.186 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.15 -40.92 95.65 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.476 0.71 . . . . 10.0 111.126 178.386 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -61.0 -38.83 87.45 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.453 -0.779 . . . . 10.0 112.041 175.37 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.24 -34.09 77.54 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 123.519 0.728 . . . . 10.0 112.187 176.153 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.2 tp -72.46 -40.21 67.18 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.259 1.424 . . . . 10.0 109.719 174.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.4 ttpp -55.99 -17.22 6.21 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 126.917 2.087 . . . . 10.0 116.214 178.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 76.9 p -110.64 -2.82 16.18 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.748 1.219 . . . . 10.0 114.144 -177.434 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 90.1 mt -64.07 147.83 96.07 Favored Pre-proline 0 CA--C 1.549 0.926 0 CA-C-O 118.216 -0.897 . . . . 10.0 110.679 175.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -51.24 127.57 22.48 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 123.256 2.638 . . . . 10.0 112.284 179.082 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -59.74 -37.41 78.89 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 113.327 0.862 . . . . 10.0 113.327 -177.102 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -66.64 -38.77 87.6 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.605 0.762 . . . . 10.0 111.763 176.376 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -66.58 -45.85 77.9 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.325 -0.859 . . . . 10.0 110.388 176.681 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 47.0 t -59.23 -45.34 93.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 123.898 0.879 . . . . 10.0 110.322 175.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -60.01 -42.55 94.55 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.419 0.688 . . . . 10.0 112.202 177.09 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 42.5 m -61.04 -43.26 99.15 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 118.835 0.743 . . . . 10.0 111.911 176.553 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 79.5 mt -63.48 -46.9 93.91 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 CA-C-N 118.743 0.701 . . . . 10.0 110.075 176.574 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 63.4 mt -61.17 -33.36 73.31 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 121.176 -0.953 . . . . 10.0 112.746 177.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -74.68 -10.14 59.24 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 114.634 1.346 . . . . 10.0 114.634 177.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -126.51 -25.09 3.49 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 114.821 1.415 . . . . 10.0 114.821 -178.078 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -129.41 -23.92 2.87 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.286 1.435 . . . . 10.0 113.793 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 68.47 4.98 41.1 Favored Glycine 0 CA--C 1.539 1.564 0 N-CA-C 116.038 1.175 . . . . 10.0 116.038 178.599 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -151.09 161.6 42.43 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 126.263 1.825 . . . . 10.0 110.211 -179.318 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 97.2 mt -129.07 136.5 59.49 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 C-N-CA 125.532 1.533 . . . . 10.0 110.599 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -102.63 127.77 49.59 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.885 1.674 . . . . 10.0 106.949 171.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 9.9 tpt -129.16 143.43 50.85 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 124.161 0.984 . . . . 10.0 110.967 -176.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -94.35 139.88 30.52 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.174 0.99 . . . . 10.0 112.156 -177.389 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 13.3 t -85.04 84.06 7.84 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 126.069 1.748 . . . . 10.0 110.112 177.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -59.74 -13.83 11.81 Favored 'General case' 0 CA--C 1.551 0.992 0 O-C-N 120.947 -1.096 . . . . 10.0 113.937 179.274 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -70.91 -37.82 72.96 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.927 1.691 . . . . 10.0 113.908 177.393 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 22.3 p -144.89 -8.79 0.62 Allowed 'General case' 0 CA--C 1.553 1.074 0 N-CA-C 117.124 2.268 . . . . 10.0 117.124 -178.649 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 108.62 -3.0 32.34 Favored Glycine 0 CA--C 1.537 1.442 0 N-CA-C 116.362 1.305 . . . . 10.0 116.362 175.263 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -77.09 -168.32 1.06 Allowed 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 125.132 1.373 . . . . 10.0 112.965 178.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -141.07 164.11 31.17 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 126.486 1.914 . . . . 10.0 112.354 -177.231 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -145.21 146.57 31.78 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 125.835 1.654 . . . . 10.0 108.279 178.477 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 92.5 mt -114.41 140.15 48.92 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.071 0.548 . . . . 10.0 109.567 176.26 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -135.8 127.46 28.99 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.633 1.173 . . . . 10.0 110.326 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -88.55 170.09 11.17 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.642 0.777 . . . . 10.0 110.786 178.336 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.74 -42.73 68.48 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.188 -0.945 . . . . 10.0 113.395 -178.305 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.7 -36.95 81.59 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 112.679 0.622 . . . . 10.0 112.679 176.513 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -68.09 -45.5 73.58 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.116 0.966 . . . . 10.0 110.313 178.007 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 57.0 mt -59.3 -41.14 83.22 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 C-N-CA 125.353 1.461 . . . . 10.0 109.931 175.053 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.28 -45.95 90.99 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 112.889 0.7 . . . . 10.0 112.889 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -70.05 -36.46 75.02 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 119.676 1.125 . . . . 10.0 111.598 177.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 54.3 mt -62.37 -46.57 96.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 O-C-N 121.485 -0.76 . . . . 10.0 110.519 176.192 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.3 ttm180 -72.91 -27.45 61.88 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 115.096 1.517 . . . . 10.0 115.096 -177.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 62.7 m-80 -106.37 -8.18 17.32 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 116.223 1.934 . . . . 10.0 116.223 -177.18 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 21.3 t30 -149.44 -21.64 0.28 Allowed 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 115.301 1.593 . . . . 10.0 115.301 179.028 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 55.67 12.47 0.82 Allowed 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 126.761 2.024 . . . . 10.0 116.109 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 62.9 p . . . . . 0 C--O 1.254 1.319 0 C-N-CA 127.373 2.269 . . . . 10.0 112.312 179.57 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.486 1.356 0 N-CA-C 110.137 -0.32 . . . . 10.0 110.137 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -67.51 166.7 14.25 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 124.211 1.004 . . . . 10.0 112.913 179.427 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 29.7 m -131.39 167.11 26.99 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 125.964 1.706 . . . . 10.0 112.298 -179.443 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -134.27 32.26 3.42 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.03 1.332 . . . . 10.0 111.981 -177.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 33.4 p90 -151.15 161.44 42.72 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.958 1.703 . . . . 10.0 112.165 -178.487 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.11 176.12 13.08 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 127.161 2.185 . . . . 10.0 110.597 177.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 37.1 t -57.12 140.12 50.36 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.754 1.222 . . . . 10.0 113.939 -178.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 62.6 p -123.52 -12.72 7.69 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.38 1.472 . . . . 10.0 114.111 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 24.3 p -100.1 -10.01 21.97 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 125.363 1.465 . . . . 10.0 113.828 179.346 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 24.9 m 63.66 177.54 0.16 Allowed 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 127.385 2.274 . . . . 10.0 115.481 178.506 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.3 ttp180 -54.93 -30.21 58.07 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.502 1.521 . . . . 10.0 114.165 -177.654 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -55.03 -39.83 69.56 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.552 1.141 . . . . 10.0 113.295 -178.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.3 mmm180 -70.35 -37.11 74.58 Favored 'General case' 0 N--CA 1.478 0.972 0 O-C-N 121.117 -0.989 . . . . 10.0 112.147 175.722 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 7.1 t -67.43 -38.06 83.98 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 123.961 0.904 . . . . 10.0 111.329 176.667 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.06 -47.32 85.21 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.355 1.462 . . . . 10.0 111.088 176.366 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -60.59 -35.8 77.0 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.075 0.95 . . . . 10.0 111.87 177.031 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.71 -33.82 69.07 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 113.056 0.762 . . . . 10.0 113.056 176.327 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.4 tp -76.43 -46.05 28.8 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.525 1.13 . . . . 10.0 111.83 178.491 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.64 -22.28 66.93 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 115.724 1.749 . . . . 10.0 115.724 -176.443 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.6 p -77.6 -12.25 59.95 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 113.594 0.961 . . . . 10.0 113.594 177.533 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 91.0 mt -65.95 156.38 84.06 Favored Pre-proline 0 CA--C 1.552 1.035 0 CA-C-N 119.235 0.925 . . . . 10.0 111.201 176.38 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -49.44 132.4 29.55 Favored 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 123.755 2.97 . . . . 10.0 114.083 -179.423 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -54.99 -44.83 74.83 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.378 1.071 . . . . 10.0 113.211 -178.547 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -66.41 -39.45 88.98 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.617 0.767 . . . . 10.0 112.169 178.674 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -64.36 -45.12 89.17 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 121.557 -0.714 . . . . 10.0 111.062 177.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 53.7 t -62.97 -47.79 91.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 123.854 0.862 . . . . 10.0 110.448 176.335 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -57.62 -40.56 79.45 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.025 0.93 . . . . 10.0 113.335 179.4 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 41.8 m -59.55 -41.5 90.25 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 118.879 0.763 . . . . 10.0 112.873 179.052 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.9 mm -67.85 -44.53 85.33 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 CA-C-N 119.147 0.885 . . . . 10.0 110.561 177.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 83.6 mt -63.33 -30.7 71.79 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 121.282 -0.886 . . . . 10.0 112.586 178.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.58 -9.29 58.45 Favored 'General case' 0 CA--C 1.55 0.965 0 N-CA-C 114.439 1.274 . . . . 10.0 114.439 176.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -127.58 -26.94 2.92 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 114.794 1.405 . . . . 10.0 114.794 -178.06 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -129.1 -23.2 3.05 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.368 1.467 . . . . 10.0 113.824 -179.356 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 75.13 2.06 65.27 Favored Glycine 0 CA--C 1.538 1.481 0 N-CA-C 116.031 1.173 . . . . 10.0 116.031 178.212 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -151.08 154.53 37.15 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 118.753 1.276 . . . . 10.0 113.928 -179.235 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 65.1 mt -138.09 136.21 44.89 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 C-N-CA 126.632 1.973 . . . . 10.0 109.054 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -105.82 137.67 43.3 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.022 1.329 . . . . 10.0 108.732 175.195 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 14.7 tpt -132.67 151.04 52.07 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.288 1.035 . . . . 10.0 111.3 -177.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 22.3 t60 -95.06 133.62 38.65 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.087 1.355 . . . . 10.0 113.605 -176.507 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 48.1 t -83.4 76.76 9.89 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 126.298 1.839 . . . . 10.0 108.445 172.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -62.22 -16.83 55.91 Favored 'General case' 0 CA--C 1.549 0.915 0 O-C-N 121.257 -0.902 . . . . 10.0 112.489 178.463 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -64.29 -39.83 94.73 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 127.184 2.194 . . . . 10.0 113.1 176.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 34.1 m -124.23 -35.95 2.73 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 115.138 1.532 . . . . 10.0 115.138 -175.002 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 110.22 46.69 0.86 Allowed Glycine 0 CA--C 1.535 1.289 0 C-N-CA 124.278 0.942 . . . . 10.0 112.467 -178.308 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -136.88 -172.0 3.07 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 126.053 1.741 . . . . 10.0 110.735 -176.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.4 p80 -144.98 162.58 36.55 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 120.674 -1.266 . . . . 10.0 110.754 176.121 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -147.82 142.81 26.97 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 124.948 1.299 . . . . 10.0 108.927 -178.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 57.9 tp -105.96 142.1 36.24 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.719 1.208 . . . . 10.0 110.417 -177.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -135.87 150.44 49.37 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.266 1.427 . . . . 10.0 111.214 -178.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -121.16 174.04 6.93 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.955 1.302 . . . . 10.0 109.882 177.012 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.41 -38.79 69.39 Favored 'General case' 0 CA--C 1.545 0.756 0 O-C-N 121.679 -0.638 . . . . 10.0 112.634 179.525 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -65.73 -40.32 92.04 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.66 1.184 . . . . 10.0 112.096 178.062 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -67.81 -47.91 67.75 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.662 0.785 . . . . 10.0 110.302 177.038 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 69.0 mt -59.75 -39.5 79.96 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 C-N-CA 125.277 1.431 . . . . 10.0 110.911 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.81 -40.06 87.15 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.281 0.633 . . . . 10.0 112.373 176.189 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -73.38 -41.92 62.8 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 121.442 -0.786 . . . . 10.0 111.099 176.29 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 57.0 mt -58.57 -42.76 85.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 124.291 1.036 . . . . 10.0 110.645 177.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 51.4 mtp85 -63.61 -13.61 43.76 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 125.658 1.583 . . . . 10.0 113.8 176.313 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 64.9 m-80 -119.18 13.44 12.86 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 126.477 1.911 . . . . 10.0 112.587 178.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -138.21 -36.99 0.58 Allowed 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.898 1.279 . . . . 10.0 113.29 -179.706 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.61 1.41 56.8 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 124.802 1.241 . . . . 10.0 113.034 177.6 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 68.5 m . . . . . 0 C--O 1.253 1.289 0 C-N-CA 127.281 2.233 . . . . 10.0 111.694 -179.172 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.1 tpt . . . . . 0 N--CA 1.487 1.389 0 N-CA-C 109.952 -0.388 . . . . 10.0 109.952 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -132.28 19.49 4.42 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 114.613 1.338 . . . . 10.0 114.613 -176.152 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 13.8 p -148.89 151.95 12.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 125.867 1.667 . . . . 10.0 110.359 179.022 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -103.34 25.05 10.05 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.17 1.388 . . . . 10.0 113.71 -176.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -153.35 141.64 20.56 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.861 1.664 . . . . 10.0 111.419 178.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.4 ' HE3' ' CE1' ' A' ' 47' ' ' TYR . 23.1 tptt -160.91 -176.97 5.82 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 126.032 1.733 . . . . 10.0 110.275 175.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.2 t -50.08 145.89 5.39 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 126.829 2.051 . . . . 10.0 114.485 -179.024 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.1 p -81.42 -15.89 53.75 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 114.019 1.118 . . . . 10.0 114.019 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 23.5 p -112.57 -90.69 0.5 Allowed 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.415 1.486 . . . . 10.0 111.92 179.381 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 46.9 t -164.33 155.06 15.09 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.919 1.288 . . . . 10.0 113.63 -179.224 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 41.9 ttt-85 -55.5 -30.95 61.58 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.877 1.671 . . . . 10.0 111.476 172.628 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -57.54 -35.97 71.0 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.369 1.468 . . . . 10.0 112.741 177.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.5 mmt180 -67.87 -45.28 74.95 Favored 'General case' 0 N--CA 1.477 0.877 0 O-C-N 121.336 -0.852 . . . . 10.0 110.813 176.414 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 20.4 t -62.32 -39.59 93.54 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.189 0.996 . . . . 10.0 111.59 174.586 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.84 -42.73 99.4 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.469 1.108 . . . . 10.0 111.368 176.059 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -64.54 -36.16 83.32 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.484 -0.76 . . . . 10.0 111.319 175.373 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.69 -40.12 88.39 Favored 'General case' 0 CA--C 1.546 0.803 0 O-C-N 121.695 -0.628 . . . . 10.0 111.448 175.228 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.8 tp -61.3 -43.85 98.18 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.554 1.541 . . . . 10.0 110.128 175.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.0 tmtm? -52.52 -22.0 4.4 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.996 1.718 . . . . 10.0 115.375 177.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 46.6 p -66.19 -23.37 66.44 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 113.292 0.849 . . . . 10.0 113.292 177.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 81.0 mt -71.4 148.27 93.29 Favored Pre-proline 0 CA--C 1.551 0.983 0 C-N-CA 124.332 1.053 . . . . 10.0 111.574 178.271 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -55.31 140.58 81.9 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 123.454 2.769 . . . . 10.0 113.218 178.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -55.69 -44.92 77.81 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.616 0.766 . . . . 10.0 112.996 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -66.28 -36.2 82.35 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.627 0.771 . . . . 10.0 112.244 178.467 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -69.4 -46.19 67.46 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.611 -0.681 . . . . 10.0 110.704 177.451 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 50.4 t -58.78 -48.54 85.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 124.48 1.112 . . . . 10.0 110.213 176.427 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -62.14 -35.44 78.77 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.636 0.774 . . . . 10.0 112.529 178.101 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 73.4 m -61.77 -39.16 90.69 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.519 0.728 . . . . 10.0 112.875 178.014 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.1 mm -67.97 -42.39 85.44 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 CA-C-N 119.401 1.001 . . . . 10.0 110.411 177.064 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 96.9 mt -61.21 -37.92 84.74 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 121.411 -0.805 . . . . 10.0 111.473 176.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.88 -9.24 50.53 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 124.818 1.247 . . . . 10.0 114.252 176.457 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -121.78 -28.12 4.56 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.718 1.207 . . . . 10.0 114.129 -175.309 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -137.98 -12.65 1.46 Allowed 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 114.95 1.463 . . . . 10.0 114.95 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.55 -3.93 52.67 Favored Glycine 0 CA--C 1.537 1.465 0 N-CA-C 116.133 1.213 . . . . 10.0 116.133 178.582 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -150.71 160.43 43.85 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 118.973 1.387 . . . . 10.0 113.137 -179.66 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 58.2 mt -135.62 136.59 50.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 C-N-CA 126.23 1.812 . . . . 10.0 110.381 -176.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -99.98 127.5 46.18 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.058 1.343 . . . . 10.0 109.851 175.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 12.9 tpt -137.44 157.11 47.28 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.88 1.272 . . . . 10.0 111.458 178.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 21.2 p-80 -117.51 141.89 47.82 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.09 1.356 . . . . 10.0 111.672 178.387 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 51.9 t -58.46 128.09 35.44 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.019 1.328 . . . . 10.0 111.453 179.53 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -67.48 -15.07 63.47 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 123.636 0.774 . . . . 10.0 113.069 178.241 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -102.36 -38.89 7.42 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.781 1.633 . . . . 10.0 113.57 -177.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 19.6 m -115.56 -16.35 11.34 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 116.003 1.853 . . . . 10.0 116.003 -174.291 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 75.8 -4.9 42.44 Favored Glycine 0 CA--C 1.541 1.712 0 C-N-CA 124.13 0.871 . . . . 10.0 114.285 -175.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -64.25 133.31 52.53 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.298 1.439 . . . . 10.0 111.387 178.519 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 11.2 p-80 -84.44 150.07 25.55 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.761 1.023 . . . . 10.0 113.761 179.426 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.4 ' CE1' ' HE3' ' A' ' 6' ' ' LYS . 33.2 m-85 -145.18 157.82 43.98 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 127.614 2.366 . . . . 10.0 107.939 177.538 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.445 ' H ' HD23 ' A' ' 48' ' ' LEU . 1.9 pt? -114.47 142.26 46.62 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.093 0.957 . . . . 10.0 109.974 176.479 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -128.51 145.47 51.11 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 125.021 1.328 . . . . 10.0 110.744 -177.494 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 -113.75 171.49 7.55 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.416 1.486 . . . . 10.0 111.459 -175.341 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.27 -36.3 65.94 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 121.111 -0.993 . . . . 10.0 112.476 177.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 26.0 mmt -65.81 -37.57 86.62 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.149 0.979 . . . . 10.0 112.161 175.368 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -67.3 -48.15 68.47 Favored 'General case' 0 CA--C 1.534 0.362 0 O-C-N 121.456 -0.777 . . . . 10.0 110.654 177.353 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.8 mp -59.9 -41.2 85.1 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.481 0 C-N-CA 123.553 0.741 . . . . 10.0 110.272 177.348 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.06 -39.9 87.62 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.207 0.603 . . . . 10.0 112.159 177.028 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -72.07 -42.7 65.91 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.528 -0.733 . . . . 10.0 111.287 176.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 64.3 mt -58.71 -43.18 87.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 124.361 1.064 . . . . 10.0 110.964 178.15 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 66.7 mtm180 -69.41 -12.91 62.05 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 125.376 1.47 . . . . 10.0 114.167 177.641 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -111.14 10.75 21.92 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 126.236 1.814 . . . . 10.0 111.949 176.386 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -126.14 -37.88 2.2 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.948 1.699 . . . . 10.0 111.551 178.452 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.19 161.8 29.58 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 123.705 0.802 . . . . 10.0 112.453 176.237 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 72.9 p . . . . . 0 C--O 1.254 1.316 0 C-N-CA 125.985 1.714 . . . . 10.0 113.588 179.296 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 77.6 mtp . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 120.489 0.185 . . . . 10.0 110.78 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -129.65 27.23 5.26 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 125.473 1.509 . . . . 10.0 112.726 -177.096 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.5 m -61.17 157.82 2.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 125.54 1.536 . . . . 10.0 113.767 -179.619 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -78.25 64.78 3.46 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.075 1.35 . . . . 10.0 110.809 176.544 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -54.08 141.84 27.28 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.004 1.322 . . . . 10.0 112.34 -178.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.0 ttmt -151.75 175.56 12.29 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.055 1.342 . . . . 10.0 112.181 -177.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.8 t -52.19 143.04 15.26 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.89 1.676 . . . . 10.0 113.462 -179.348 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.3 p -85.2 36.89 0.65 Allowed 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 126.956 2.102 . . . . 10.0 110.93 175.311 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -39.12 127.34 1.69 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 127.968 2.507 . . . . 10.0 114.609 -177.717 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.7 t -158.33 149.9 21.23 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 126.092 1.757 . . . . 10.0 109.687 177.599 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.9 ttt180 -56.64 -33.46 66.35 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 124.007 0.923 . . . . 10.0 111.401 174.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -61.09 -36.72 80.42 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.809 1.643 . . . . 10.0 113.421 178.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.0 mtt85 -69.71 -46.4 66.07 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.743 0.817 . . . . 10.0 110.879 178.371 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 73.1 m -63.19 -38.53 91.54 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.384 1.474 . . . . 10.0 112.784 174.168 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.88 -41.4 97.83 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.702 0.801 . . . . 10.0 111.564 178.1 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -63.01 -40.42 97.71 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.274 0.63 . . . . 10.0 111.314 175.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.07 -33.67 76.3 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 124.193 0.997 . . . . 10.0 112.42 175.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.8 tp -71.74 -42.98 66.61 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.94 1.296 . . . . 10.0 109.919 175.453 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.51 -34.31 57.67 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 115.301 1.593 . . . . 10.0 115.301 -179.733 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 75.4 p -72.91 -12.83 61.11 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 114.484 1.29 . . . . 10.0 114.484 -178.455 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 83.9 mt -71.09 155.7 92.9 Favored Pre-proline 0 CA--C 1.55 0.955 0 CA-C-N 119.236 0.925 . . . . 10.0 111.41 175.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -56.52 123.91 14.97 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 122.932 2.421 . . . . 10.0 111.049 176.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -59.12 -34.45 72.05 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 113.022 0.749 . . . . 10.0 113.022 -178.294 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -67.18 -38.32 85.19 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.184 0.994 . . . . 10.0 112.149 174.574 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -69.56 -41.82 75.38 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.096 0.958 . . . . 10.0 111.103 177.634 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 47.9 t -59.74 -42.28 88.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 124.468 1.107 . . . . 10.0 110.692 176.515 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -64.35 -34.12 77.42 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 112.673 0.619 . . . . 10.0 112.673 176.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 71.0 m -61.44 -35.3 77.18 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.37 -0.831 . . . . 10.0 112.321 177.013 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.6 mm -64.68 -36.15 76.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 CA-C-N 119.097 0.862 . . . . 10.0 111.011 177.541 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 38.9 mt -63.99 -30.13 71.24 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.011 -1.056 . . . . 10.0 112.305 176.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.75 -5.11 57.86 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 124.946 1.298 . . . . 10.0 113.763 176.687 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -123.83 -27.59 3.93 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 114.789 1.403 . . . . 10.0 114.789 -178.198 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -141.15 -26.35 0.71 Allowed 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 114.464 1.283 . . . . 10.0 114.464 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 84.31 1.59 89.39 Favored Glycine 0 CA--C 1.538 1.496 0 N-CA-C 115.932 1.133 . . . . 10.0 115.932 177.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -160.23 165.58 31.21 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.11 1.364 . . . . 10.0 112.035 -179.396 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 93.7 mt -130.6 134.62 61.84 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 125.237 1.415 . . . . 10.0 110.356 179.065 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -95.87 100.16 11.88 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.2 1.8 . . . . 10.0 108.175 175.178 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 3.1 mmt -91.37 153.07 20.15 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 124.958 1.303 . . . . 10.0 112.843 -177.535 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 73.4 m80 -121.13 125.44 47.22 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.512 1.525 . . . . 10.0 109.343 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 53.9 t -51.1 119.54 4.09 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.137 1.775 . . . . 10.0 111.871 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -63.69 -15.69 59.1 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 123.395 0.678 . . . . 10.0 112.735 178.483 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -92.04 -38.58 12.13 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.932 1.693 . . . . 10.0 113.893 -178.173 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.9 p -141.19 -10.43 0.97 Allowed 'General case' 0 CA--C 1.553 1.072 0 N-CA-C 117.925 2.565 . . . . 10.0 117.925 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 97.44 -6.44 63.21 Favored Glycine 0 CA--C 1.539 1.588 0 C-N-CA 125.193 1.377 . . . . 10.0 116.077 179.025 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -53.28 145.93 13.01 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 125.68 1.592 . . . . 10.0 113.194 179.226 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 71.7 m-70 -82.74 142.76 31.37 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 114.368 1.247 . . . . 10.0 114.368 -177.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -149.68 131.89 15.46 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 127.006 2.122 . . . . 10.0 107.771 174.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.409 ' H ' HD23 ' A' ' 48' ' ' LEU . 1.8 pt? -102.65 143.06 32.8 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.876 0.871 . . . . 10.0 112.656 -178.089 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -130.58 126.07 35.79 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.036 1.334 . . . . 10.0 110.043 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 -91.07 172.53 8.5 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.435 1.094 . . . . 10.0 111.28 -178.256 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.31 -39.55 70.06 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.237 -0.915 . . . . 10.0 112.08 177.041 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -65.28 -38.1 89.24 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.134 1.374 . . . . 10.0 112.239 177.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -71.99 -48.01 47.96 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.077 0.951 . . . . 10.0 110.954 177.241 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 69.6 mt -60.93 -39.13 81.04 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.134 0 C-N-CA 125.894 1.677 . . . . 10.0 110.863 -179.168 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.62 -41.08 72.99 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 119.001 0.819 . . . . 10.0 112.811 178.087 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -74.02 -46.95 40.32 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.517 -0.74 . . . . 10.0 111.217 176.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 93.5 mt -58.38 -39.84 75.98 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 124.424 1.09 . . . . 10.0 111.411 179.139 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 68.8 ttt-85 -62.44 -24.74 67.59 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 126.372 1.869 . . . . 10.0 112.629 176.685 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 64.0 m-80 -103.59 19.69 19.35 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 126.615 1.966 . . . . 10.0 111.238 175.425 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 51.77 44.9 28.96 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 127.343 2.257 . . . . 10.0 113.534 -179.322 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -130.61 159.03 38.39 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.16 1.384 . . . . 10.0 112.493 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 32.0 m . . . . . 0 C--O 1.253 1.267 0 C-N-CA 127.25 2.22 . . . . 10.0 111.452 179.701 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.0 ttt . . . . . 0 N--CA 1.485 1.322 0 N-CA-C 110.188 -0.301 . . . . 10.0 110.188 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -66.38 156.03 35.73 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.172 0.989 . . . . 10.0 113.052 179.43 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.4 p -153.38 153.78 8.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 125.497 1.519 . . . . 10.0 110.743 179.369 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -58.23 148.01 28.57 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.845 1.258 . . . . 10.0 113.132 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -148.05 175.26 11.16 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.316 1.047 . . . . 10.0 112.909 -179.508 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.3 mmpt? -58.98 132.76 54.97 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 126.37 1.868 . . . . 10.0 110.135 177.112 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.1 t -61.37 151.74 31.43 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 114.381 1.252 . . . . 10.0 114.381 -177.42 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.2 t -141.85 8.82 1.92 Allowed 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 127.299 2.24 . . . . 10.0 111.192 178.082 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 28.7 m -94.0 -158.09 0.6 Allowed 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 128.138 2.575 . . . . 10.0 112.57 -175.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 88.5 p -149.18 172.69 14.41 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 126.438 1.895 . . . . 10.0 111.168 179.316 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 66.3 mtp85 -57.35 -35.28 69.73 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.106 0.562 . . . . 10.0 111.405 174.167 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -60.83 -43.86 97.69 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.3 1.04 . . . . 10.0 112.822 179.636 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 62.9 mtt180 -60.87 -46.03 92.21 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 121.728 -0.608 . . . . 10.0 111.8 178.009 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.7 t -72.6 -33.19 66.53 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 112.848 0.685 . . . . 10.0 112.848 178.044 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.66 96.06 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.523 0.729 . . . . 10.0 110.51 175.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -63.04 -34.52 77.76 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 121.548 -0.72 . . . . 10.0 111.763 175.396 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.58 -33.82 74.73 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 123.663 0.785 . . . . 10.0 111.884 174.663 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 15.4 tp -74.51 -40.89 61.5 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.46 1.504 . . . . 10.0 110.824 177.072 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -49.55 -35.16 19.48 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 128.13 2.572 . . . . 10.0 114.768 178.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 77.6 p -78.44 -13.83 59.65 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 114.556 1.317 . . . . 10.0 114.556 -179.552 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 71.4 mt -70.23 153.19 95.4 Favored Pre-proline 0 CA--C 1.55 0.958 0 CA-C-N 119.576 1.08 . . . . 10.0 111.644 178.277 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -53.4 125.12 17.45 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 123.518 2.812 . . . . 10.0 112.863 179.27 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -60.01 -35.78 75.79 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 113.326 0.861 . . . . 10.0 113.326 -178.633 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -64.38 -39.54 94.06 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.707 0.803 . . . . 10.0 111.509 176.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -69.53 -41.85 75.42 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.88 0.872 . . . . 10.0 110.41 176.261 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 24.6 t -57.79 -48.51 83.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 124.008 0.923 . . . . 10.0 109.66 175.656 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.4 -37.57 87.98 Favored 'General case' 0 CA--C 1.539 0.537 0 O-C-N 121.669 -0.645 . . . . 10.0 112.495 177.574 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 68.5 m -63.0 -45.18 93.61 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.656 0.782 . . . . 10.0 111.847 178.002 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 74.6 mt -64.72 -44.12 96.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 CA-C-N 118.692 0.678 . . . . 10.0 109.975 176.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 49.7 mt -59.22 -38.94 81.2 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 121.288 -0.883 . . . . 10.0 111.984 176.441 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.95 -8.39 36.67 Favored 'General case' 0 CA--C 1.55 0.969 0 N-CA-C 114.364 1.246 . . . . 10.0 114.364 177.007 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -121.6 -20.98 6.34 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 114.362 1.245 . . . . 10.0 114.362 -179.594 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -140.19 -11.6 1.09 Allowed 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 115.718 1.747 . . . . 10.0 115.718 -178.683 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.71 -1.47 37.69 Favored Glycine 0 CA--C 1.54 1.613 0 N-CA-C 116.141 1.216 . . . . 10.0 116.141 179.135 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -154.91 161.79 41.31 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.029 1.332 . . . . 10.0 112.426 179.501 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 61.0 mt -134.44 136.42 52.86 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 C-N-CA 125.913 1.685 . . . . 10.0 109.604 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -103.6 132.06 50.19 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.646 1.178 . . . . 10.0 108.678 174.629 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 13.9 tpt -127.41 152.94 46.87 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 124.902 1.281 . . . . 10.0 111.333 -178.028 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 50.4 t60 -93.94 134.71 36.03 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.989 1.316 . . . . 10.0 112.833 -176.169 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 13.3 t -79.19 76.21 5.72 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 127.122 2.169 . . . . 10.0 109.409 176.595 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -57.24 -15.35 5.78 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 113.767 1.025 . . . . 10.0 113.767 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 67.5 m-85 -62.33 -36.78 83.27 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.092 1.757 . . . . 10.0 113.165 175.112 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 22.6 p -149.78 -18.06 0.26 Allowed 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 117.486 2.402 . . . . 10.0 117.486 -177.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 128.73 -12.71 6.19 Favored Glycine 0 CA--C 1.536 1.365 0 CA-C-N 120.564 1.529 . . . . 10.0 116.6 176.219 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -70.39 -168.98 0.27 Allowed 'General case' 0 CA--C 1.558 1.285 0 C-N-CA 125.477 1.511 . . . . 10.0 113.129 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 7.4 p80 -151.37 161.71 42.21 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 126.071 1.748 . . . . 10.0 110.69 175.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -148.36 149.0 31.0 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 125.52 1.528 . . . . 10.0 108.644 -179.28 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.7 pp -113.22 144.75 42.17 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.65 0.78 . . . . 10.0 112.276 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -134.49 126.94 30.44 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 125.739 1.615 . . . . 10.0 111.725 -174.279 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 59.5 m-20 -88.14 171.33 10.32 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.906 0.883 . . . . 10.0 110.809 178.226 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.33 -37.21 67.13 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 123.545 0.738 . . . . 10.0 112.9 178.292 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 2.4 mpt? -65.11 -38.24 90.03 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.707 1.203 . . . . 10.0 112.472 178.612 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -72.15 -44.11 63.59 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.992 0.917 . . . . 10.0 110.072 176.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 51.4 mt -60.2 -33.48 53.67 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 C-N-CA 125.086 1.354 . . . . 10.0 111.417 176.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.35 -35.93 74.78 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.692 -0.63 . . . . 10.0 111.596 174.247 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -72.82 -39.38 66.66 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.781 1.173 . . . . 10.0 110.772 176.126 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 97.0 mt -59.31 -38.77 76.53 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.752 0 O-C-N 121.387 -0.821 . . . . 10.0 110.151 175.141 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -78.64 -33.23 47.39 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.53 1.532 . . . . 10.0 114.927 177.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 62.1 t30 -105.28 -7.11 19.13 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 115.969 1.84 . . . . 10.0 115.969 -171.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -140.53 -24.73 0.78 Allowed 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 125.261 1.424 . . . . 10.0 113.285 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 50.81 30.73 5.32 Favored 'General case' 0 CA--C 1.551 0.99 0 N-CA-C 116.511 2.041 . . . . 10.0 116.511 176.259 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 18.3 m . . . . . 0 C--O 1.251 1.134 0 C-N-CA 127.197 2.199 . . . . 10.0 114.83 179.651 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.2 mpp? . . . . . 0 N--CA 1.485 1.322 0 N-CA-C 109.971 -0.381 . . . . 10.0 109.971 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -66.24 154.87 38.69 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 124.086 0.954 . . . . 10.0 112.69 179.593 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.4 t -72.5 118.41 17.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 124.933 1.293 . . . . 10.0 110.858 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -80.74 26.1 0.42 Allowed 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.556 1.542 . . . . 10.0 113.79 179.531 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -148.05 83.63 1.51 Allowed 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 127.119 2.168 . . . . 10.0 110.254 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -147.35 120.67 8.98 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.641 1.576 . . . . 10.0 108.299 177.508 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 20.4 p -74.92 179.48 4.89 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.644 1.178 . . . . 10.0 112.724 179.161 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 36.5 p -71.8 13.72 0.26 Allowed 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 126.224 1.81 . . . . 10.0 113.776 178.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 16.6 p -61.33 172.23 1.18 Allowed 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 116.422 2.008 . . . . 10.0 116.422 -177.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.9 m -161.43 174.66 13.14 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 130.625 3.57 . . . . 10.0 106.928 177.154 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.6 ttp85 -55.03 -35.18 64.19 Favored 'General case' 0 N--CA 1.48 1.043 0 O-C-N 121.183 -0.948 . . . . 10.0 112.255 179.245 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -58.58 -39.52 80.57 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.401 1.481 . . . . 10.0 113.593 176.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.4 mmm-85 -67.53 -45.33 76.04 Favored 'General case' 0 N--CA 1.481 1.106 0 O-C-N 121.226 -0.921 . . . . 10.0 110.822 177.308 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 17.8 t -62.54 -38.06 88.56 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.631 0.772 . . . . 10.0 111.687 173.647 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.76 -41.37 97.6 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.083 0.953 . . . . 10.0 110.972 177.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -59.58 -34.72 73.07 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.966 0.906 . . . . 10.0 112.401 177.161 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.29 -33.76 73.68 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 123.571 0.748 . . . . 10.0 112.319 175.331 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.3 tp -76.01 -44.65 38.44 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.438 1.495 . . . . 10.0 110.581 176.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -47.7 -39.54 17.74 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 128.404 2.681 . . . . 10.0 114.497 179.182 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 59.9 p -81.96 -9.88 59.43 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 115.085 1.513 . . . . 10.0 115.085 -178.514 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 95.4 mt -66.32 155.27 88.51 Favored Pre-proline 0 CA--C 1.548 0.875 0 CA-C-N 119.556 1.071 . . . . 10.0 111.29 177.281 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -53.56 119.21 5.83 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 123.254 2.636 . . . . 10.0 111.403 178.181 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -58.31 -35.28 71.62 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 113.406 0.891 . . . . 10.0 113.406 -176.531 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -63.77 -39.42 94.22 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.723 0.809 . . . . 10.0 111.466 176.252 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -69.58 -45.29 68.99 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.53 -0.731 . . . . 10.0 110.936 176.423 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 62.6 t -58.29 -48.79 83.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 123.832 0.853 . . . . 10.0 110.134 177.095 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -61.26 -38.68 87.59 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.94 0.896 . . . . 10.0 112.074 176.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 66.2 m -61.83 -43.67 98.38 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.211 0.604 . . . . 10.0 111.938 177.584 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 75.1 mt -64.35 -46.96 91.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 CA-C-N 118.757 0.708 . . . . 10.0 109.959 176.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 97.1 mt -60.08 -37.85 81.14 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.577 -0.702 . . . . 10.0 112.248 178.164 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.63 -9.28 41.7 Favored 'General case' 0 CA--C 1.55 0.969 0 N-CA-C 114.273 1.212 . . . . 10.0 114.273 176.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -122.45 -15.77 7.5 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 114.391 1.256 . . . . 10.0 114.391 -179.202 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -142.16 -13.17 0.82 Allowed 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 115.576 1.695 . . . . 10.0 115.576 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 73.2 -8.14 9.46 Favored Glycine 0 CA--C 1.539 1.538 0 N-CA-C 116.254 1.262 . . . . 10.0 116.254 179.063 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -152.15 164.15 37.9 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 118.924 1.362 . . . . 10.0 113.324 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 70.1 mt -135.93 135.93 50.21 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 C-N-CA 126.937 2.095 . . . . 10.0 109.775 -177.369 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -97.84 124.22 42.14 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.917 1.687 . . . . 10.0 107.54 174.051 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 15.1 tpt -131.71 153.18 50.29 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.067 0.947 . . . . 10.0 111.787 -175.072 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 67.7 m-70 -119.65 140.36 50.75 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.429 1.092 . . . . 10.0 111.556 179.436 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 40.5 t -53.94 118.86 4.33 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.474 1.91 . . . . 10.0 110.653 177.482 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -66.95 -9.14 35.29 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 113.095 0.776 . . . . 10.0 113.095 179.274 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -99.6 -42.73 6.77 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.913 1.685 . . . . 10.0 114.01 -177.254 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.6 p -132.3 -9.98 3.3 Favored 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 116.64 2.089 . . . . 10.0 116.64 179.322 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 94.42 -2.12 67.5 Favored Glycine 0 CA--C 1.536 1.393 0 N-CA-C 116.914 1.526 . . . . 10.0 116.914 176.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -58.32 138.82 56.15 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 120.152 1.976 . . . . 10.0 112.118 178.464 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -82.68 150.91 26.49 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.155 0.982 . . . . 10.0 113.453 -178.636 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -153.24 153.28 32.38 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 126.35 1.86 . . . . 10.0 109.024 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 91.9 mt -114.58 142.18 46.78 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.823 0.849 . . . . 10.0 112.693 -178.502 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -136.33 139.2 42.41 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 126.171 1.788 . . . . 10.0 110.011 -179.555 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 22.4 p30 -121.62 172.58 8.01 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 124.033 0.933 . . . . 10.0 112.118 178.76 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.3 -41.96 73.06 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 113.422 0.897 . . . . 10.0 113.422 -178.113 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 26.3 mmt -70.51 -39.03 74.34 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.134 0.573 . . . . 10.0 112.276 178.048 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -67.82 -43.42 79.63 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 121.299 -0.875 . . . . 10.0 111.534 178.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 80.6 mt -65.32 -35.46 75.39 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 C-N-CA 124.582 1.153 . . . . 10.0 110.288 176.21 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.17 -36.59 84.55 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 121.792 -0.568 . . . . 10.0 111.416 175.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -72.37 -40.41 67.31 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 121.516 -0.74 . . . . 10.0 110.88 175.234 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 52.4 mt -58.06 -42.54 83.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 CA-C-N 119.151 0.887 . . . . 10.0 109.948 175.654 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 47.6 mmt-85 -66.92 -9.87 42.9 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.715 1.606 . . . . 10.0 115.309 176.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 63.2 m-80 -125.94 5.51 7.29 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.185 1.394 . . . . 10.0 113.746 -179.702 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -146.55 -17.59 0.43 Allowed 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 115.285 1.587 . . . . 10.0 115.285 -178.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -133.67 -10.83 2.75 Favored 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 115.541 1.682 . . . . 10.0 115.541 -177.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 70.4 m . . . . . 0 C--O 1.252 1.213 0 C-N-CA 125.447 1.499 . . . . 10.0 112.051 177.095 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 N--CA 1.487 1.408 0 N-CA-C 110.109 -0.33 . . . . 10.0 110.109 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -139.02 21.31 2.63 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.981 1.312 . . . . 10.0 114.251 -177.497 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.8 m -63.99 149.68 10.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 124.408 1.083 . . . . 10.0 112.735 179.262 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -147.85 47.37 1.09 Allowed 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.939 1.295 . . . . 10.0 110.824 -178.382 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 39.1 p90 -62.03 12.26 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 118.354 2.724 . . . . 10.0 118.354 -176.025 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -79.66 0.97 28.08 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 126.317 1.847 . . . . 10.0 115.076 175.523 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 7.4 t 36.71 79.91 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 131.396 3.878 . . . . 10.0 114.363 -179.172 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.8 m -59.98 -26.5 66.08 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 126.377 1.871 . . . . 10.0 113.819 -178.633 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 26.6 p -87.33 -145.49 0.13 Allowed 'General case' 0 CA--C 1.556 1.19 0 C-N-CA 125.575 1.55 . . . . 10.0 112.778 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.5 m -141.06 163.96 31.56 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.222 1.409 . . . . 10.0 113.557 -176.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 19.4 ptp180 -54.4 -33.73 59.89 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 125.456 1.502 . . . . 10.0 114.219 -179.567 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -57.0 -36.47 70.44 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.413 1.485 . . . . 10.0 112.724 -179.215 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 65.5 mtt85 -67.67 -41.81 83.15 Favored 'General case' 0 N--CA 1.478 0.943 0 O-C-N 121.405 -0.809 . . . . 10.0 111.401 175.496 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 16.7 t -65.54 -41.91 92.51 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-O 121.075 0.464 . . . . 10.0 110.964 174.554 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.78 -42.7 99.33 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.711 1.204 . . . . 10.0 112.191 178.095 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -61.02 -38.17 85.14 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.937 0.895 . . . . 10.0 111.774 177.03 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.93 -33.64 74.06 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.489 0.716 . . . . 10.0 112.54 175.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.1 tp -76.05 -47.11 25.97 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.827 1.251 . . . . 10.0 111.656 178.556 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.11 -21.23 66.77 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 115.881 1.808 . . . . 10.0 115.881 -176.013 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 36.2 p -82.17 -10.55 59.12 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 113.606 0.965 . . . . 10.0 113.606 177.14 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 97.8 mt -67.43 159.7 76.24 Favored Pre-proline 0 CA--C 1.551 0.991 0 C-N-CA 124.495 1.118 . . . . 10.0 111.624 177.064 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -47.08 127.32 12.51 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 123.914 3.076 . . . . 10.0 113.895 179.359 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -54.91 -39.51 68.88 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.478 1.111 . . . . 10.0 112.987 -178.651 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -62.33 -41.57 98.66 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.385 1.074 . . . . 10.0 112.343 178.067 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -66.45 -45.53 79.46 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 121.422 -0.799 . . . . 10.0 110.987 178.653 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 96.4 t -60.97 -48.0 91.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 123.635 0.774 . . . . 10.0 110.078 177.007 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -59.57 -43.76 93.51 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.87 0.868 . . . . 10.0 112.6 178.228 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 31.4 m -59.79 -43.69 94.29 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 119.012 0.824 . . . . 10.0 112.818 178.746 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 62.1 mt -68.21 -45.37 83.06 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 CA-C-N 119.291 0.951 . . . . 10.0 110.398 178.593 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 93.4 mt -61.35 -35.61 77.93 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.3 -0.875 . . . . 10.0 112.208 177.564 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.4 -14.7 61.77 Favored 'General case' 0 CA--C 1.549 0.934 0 N-CA-C 113.969 1.1 . . . . 10.0 113.969 176.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -111.85 -26.69 8.81 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.892 1.277 . . . . 10.0 114.244 -177.768 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -136.72 -15.61 1.57 Allowed 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 115.008 1.485 . . . . 10.0 115.008 -178.399 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.95 -9.25 25.71 Favored Glycine 0 CA--C 1.537 1.412 0 C-N-CA 124.693 1.139 . . . . 10.0 115.799 179.141 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -143.62 160.83 39.96 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.95 1.3 . . . . 10.0 112.014 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 84.9 mt -134.26 136.56 53.04 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 C-N-CA 126.747 2.019 . . . . 10.0 108.634 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -124.4 123.78 40.92 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.394 1.478 . . . . 10.0 109.864 178.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 57.2 mtt -137.3 156.26 48.47 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.444 1.498 . . . . 10.0 112.415 -177.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 12.0 p-80 -94.45 141.65 28.34 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.606 0.763 . . . . 10.0 111.67 178.142 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 53.4 t -56.11 120.46 7.55 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 127.211 2.204 . . . . 10.0 110.815 178.555 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -65.56 -13.91 59.98 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 113.049 0.759 . . . . 10.0 113.049 179.291 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -102.04 -36.96 8.39 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.826 1.65 . . . . 10.0 114.04 -178.613 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 5.9 m -125.07 -11.19 7.08 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 116.338 1.977 . . . . 10.0 116.338 -173.543 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.33 -8.73 45.04 Favored Glycine 0 CA--C 1.541 1.676 0 N-CA-C 116.02 1.168 . . . . 10.0 116.02 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -66.73 150.0 49.72 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 118.889 1.344 . . . . 10.0 112.093 178.421 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 10.5 p-80 -82.79 150.9 26.36 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 120.981 -1.074 . . . . 10.0 113.413 -179.206 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -150.23 133.48 16.34 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 126.489 1.916 . . . . 10.0 108.361 177.684 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.7 pp -114.55 142.31 46.59 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.021 0.929 . . . . 10.0 111.804 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -136.34 151.86 50.04 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 125.858 1.663 . . . . 10.0 110.579 -178.316 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 23.5 p30 -121.15 179.2 4.47 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 121.794 0.807 . . . . 10.0 113.052 179.58 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.42 -39.97 70.88 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 112.938 0.718 . . . . 10.0 112.938 -179.562 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 34.8 mmt -70.52 -39.18 74.22 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.443 0.697 . . . . 10.0 111.958 177.629 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -61.43 -48.03 83.03 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 119.005 0.821 . . . . 10.0 110.576 176.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 84.2 mt -65.28 -39.05 84.14 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 C-N-CA 124.64 1.176 . . . . 10.0 110.611 178.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.53 -37.32 83.32 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 118.914 0.779 . . . . 10.0 112.214 176.39 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -71.04 -43.49 67.75 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 121.465 -0.772 . . . . 10.0 110.694 175.543 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 54.3 mt -57.93 -41.89 81.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 124.313 1.045 . . . . 10.0 110.772 177.088 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 38.6 ttt85 -63.14 -18.1 63.07 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 127.075 2.15 . . . . 10.0 114.153 177.629 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 -125.8 4.37 7.4 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.275 1.43 . . . . 10.0 114.807 -176.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -139.73 -19.02 0.93 Allowed 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 114.243 1.201 . . . . 10.0 114.243 -178.451 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -131.04 16.03 5.15 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 125.007 1.323 . . . . 10.0 112.757 179.276 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.6 m . . . . . 0 C--O 1.251 1.179 0 C-N-CA 126.815 2.046 . . . . 10.0 112.481 -178.381 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.1 mmt . . . . . 0 N--CA 1.487 1.376 0 N-CA-C 110.592 -0.151 . . . . 10.0 110.592 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -150.03 170.48 18.77 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.363 1.465 . . . . 10.0 112.118 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.4 p -148.93 148.1 16.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 125.41 1.484 . . . . 10.0 110.401 179.324 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -75.07 20.94 0.13 Allowed 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 115.619 1.711 . . . . 10.0 115.619 -179.459 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -75.59 174.06 10.21 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 125.648 1.579 . . . . 10.0 111.931 178.275 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -127.59 133.97 49.72 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.7 1.6 . . . . 10.0 109.929 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 10.8 t -56.53 143.72 34.32 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.439 1.096 . . . . 10.0 113.38 -177.659 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 71.0 p -121.88 -5.34 9.08 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.477 1.511 . . . . 10.0 114.249 -178.29 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 26.4 p -110.42 -109.47 0.34 Allowed 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.706 1.602 . . . . 10.0 111.215 179.136 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 45.2 t -163.8 162.68 23.91 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.421 1.489 . . . . 10.0 112.299 -179.252 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 74.7 ttt-85 -55.14 -30.52 59.98 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.751 1.62 . . . . 10.0 111.122 172.494 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -57.25 -36.36 70.86 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.445 1.498 . . . . 10.0 112.424 177.447 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 57.3 mtt180 -69.69 -38.49 77.01 Favored 'General case' 0 N--CA 1.477 0.921 0 O-C-N 121.138 -0.976 . . . . 10.0 111.519 175.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 11.8 t -65.47 -40.35 93.05 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.22 0.608 . . . . 10.0 110.586 174.284 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.96 -43.06 99.63 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.389 1.075 . . . . 10.0 111.129 175.213 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -60.22 -43.08 96.29 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.374 1.07 . . . . 10.0 110.844 176.45 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.06 -33.72 76.11 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.626 1.17 . . . . 10.0 113.18 176.065 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 41.3 tp -70.31 -37.49 74.76 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.77 1.228 . . . . 10.0 111.675 179.232 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.36 -31.55 63.91 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 114.23 1.196 . . . . 10.0 114.23 -177.678 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 72.1 p -73.4 -13.88 61.16 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 114.64 1.348 . . . . 10.0 114.64 -176.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 52.3 mt -65.76 147.21 98.85 Favored Pre-proline 0 CA--C 1.55 0.945 0 CA-C-N 119.4 1.0 . . . . 10.0 111.063 177.2 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -56.65 139.52 88.34 Favored 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 123.119 2.546 . . . . 10.0 113.0 179.416 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -57.72 -37.72 74.02 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 123.465 0.706 . . . . 10.0 112.67 179.105 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -66.44 -37.99 86.41 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.243 0.617 . . . . 10.0 111.998 177.731 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -69.16 -47.33 65.28 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.056 0.943 . . . . 10.0 110.492 177.508 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 49.4 t -60.02 -48.96 85.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 124.388 1.075 . . . . 10.0 110.657 177.504 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -62.73 -37.78 87.91 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.346 0.659 . . . . 10.0 112.303 178.073 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 75.5 m -60.8 -44.32 97.0 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 118.752 0.705 . . . . 10.0 112.055 177.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 61.3 mt -66.85 -45.76 86.87 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 123.119 0.567 . . . . 10.0 110.202 178.009 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 81.7 mt -60.93 -37.12 81.2 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.278 -0.889 . . . . 10.0 112.463 177.74 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.69 -9.95 41.55 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 114.284 1.216 . . . . 10.0 114.284 177.124 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -122.06 -18.72 6.84 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 114.395 1.257 . . . . 10.0 114.395 -179.27 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -139.82 -11.93 1.14 Allowed 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 115.793 1.775 . . . . 10.0 115.793 -179.127 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.09 -0.35 39.35 Favored Glycine 0 CA--C 1.539 1.588 0 N-CA-C 115.913 1.125 . . . . 10.0 115.913 179.045 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -157.06 163.03 39.46 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.51 1.524 . . . . 10.0 111.851 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 31.4 mt -133.84 136.31 54.11 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 C-N-CA 125.75 1.62 . . . . 10.0 109.644 -179.187 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -99.18 130.7 45.5 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.614 1.166 . . . . 10.0 108.005 173.574 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 15.9 tpt -131.17 152.52 50.36 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.402 1.081 . . . . 10.0 111.445 -177.09 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 25.8 p-80 -94.59 141.67 28.33 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.786 1.234 . . . . 10.0 112.766 -179.037 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 53.2 t -77.15 94.11 4.02 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.935 1.694 . . . . 10.0 107.547 173.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -57.15 -20.97 29.32 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 113.327 0.862 . . . . 10.0 113.327 -179.224 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -82.29 -35.98 27.48 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 126.152 1.781 . . . . 10.0 114.857 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 21.6 m -125.71 -16.27 5.77 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 116.637 2.088 . . . . 10.0 116.637 -174.137 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 91.86 -3.24 77.41 Favored Glycine 0 CA--C 1.54 1.622 0 C-N-CA 124.504 1.049 . . . . 10.0 114.552 -178.446 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -71.3 -177.31 1.72 Allowed 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 126.004 1.722 . . . . 10.0 111.235 176.095 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 5.3 p80 -141.83 160.49 40.09 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 120.43 -1.419 . . . . 10.0 111.905 175.719 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -150.17 154.82 38.66 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 125.851 1.66 . . . . 10.0 109.049 -178.572 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.494 ' H ' HD23 ' A' ' 48' ' ' LEU . 1.7 pt? -112.47 142.12 45.4 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.22 1.008 . . . . 10.0 112.162 -179.687 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -134.35 122.03 22.03 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 125.784 1.634 . . . . 10.0 111.119 -176.481 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -82.72 168.39 17.26 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.667 0.787 . . . . 10.0 111.579 179.211 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.3 -39.11 69.51 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.748 0.819 . . . . 10.0 112.515 178.507 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 77.0 mtm -66.82 -38.31 86.2 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.78 0.832 . . . . 10.0 112.682 178.074 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -71.11 -43.12 68.32 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 121.341 -0.849 . . . . 10.0 110.434 178.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 56.7 mt -62.45 -36.96 77.45 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 C-N-CA 124.406 1.082 . . . . 10.0 110.391 175.47 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.54 -39.66 91.99 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.743 -0.598 . . . . 10.0 111.402 175.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -66.06 -42.69 89.14 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.268 -0.895 . . . . 10.0 110.395 175.719 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 65.3 mt -58.97 -42.77 87.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 124.36 1.064 . . . . 10.0 110.274 175.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 58.4 mmt-85 -71.66 -31.51 66.9 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 113.506 0.928 . . . . 10.0 113.506 176.631 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 11.1 m-80 -71.35 -30.29 66.0 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 119.317 0.962 . . . . 10.0 112.137 175.584 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -77.87 -45.75 23.36 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.412 1.485 . . . . 10.0 111.49 176.565 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 51.08 20.98 0.93 Allowed 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 127.368 2.267 . . . . 10.0 117.102 178.378 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 43.9 m . . . . . 0 C--O 1.253 1.249 0 C-N-CA 126.068 1.747 . . . . 10.0 111.105 179.372 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.3 ttt . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.515 0.198 . . . . 10.0 110.566 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -140.18 145.31 37.3 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.823 1.649 . . . . 10.0 110.116 177.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.9 p -153.17 157.87 4.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 124.801 1.24 . . . . 10.0 111.698 -177.598 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -129.33 155.18 46.04 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 126.456 1.903 . . . . 10.0 111.327 -179.659 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -94.08 161.21 14.37 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.121 0.968 . . . . 10.0 112.515 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -154.94 151.76 28.9 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.62 1.568 . . . . 10.0 111.696 -178.2 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 13.6 t -63.68 169.69 3.82 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.686 1.594 . . . . 10.0 111.936 175.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.9 m -59.66 -22.02 61.34 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.95 1.3 . . . . 10.0 111.549 175.453 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 7.7 p -116.47 -101.3 0.43 Allowed 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 127.264 2.225 . . . . 10.0 110.382 176.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 92.4 p -166.2 165.33 17.61 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.792 1.237 . . . . 10.0 114.093 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.7 ttm-85 -59.37 -34.18 72.08 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.033 0.933 . . . . 10.0 111.148 174.311 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -57.1 -39.75 75.68 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.483 1.113 . . . . 10.0 112.19 -179.268 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.4 mmm180 -64.64 -41.21 96.3 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 119.035 0.834 . . . . 10.0 112.223 176.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 10.2 t -68.35 -41.95 79.95 Favored 'General case' 0 CA--C 1.548 0.865 0 C-N-CA 123.906 0.883 . . . . 10.0 111.549 175.239 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.0 -39.41 92.16 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.197 1.399 . . . . 10.0 112.055 177.502 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -58.96 -36.39 74.74 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.848 1.259 . . . . 10.0 111.499 177.016 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.19 -33.79 67.91 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 123.966 0.906 . . . . 10.0 113.274 174.663 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 18.8 tp -76.28 -45.85 30.62 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.713 1.205 . . . . 10.0 111.838 179.085 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 42.2 pttt -62.02 -24.06 66.82 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 115.417 1.636 . . . . 10.0 115.417 -176.644 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 37.4 p -80.11 -11.48 59.75 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 113.595 0.961 . . . . 10.0 113.595 179.256 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 89.0 mt -68.33 154.4 94.24 Favored Pre-proline 0 CA--C 1.551 1.007 0 C-N-CA 123.924 0.89 . . . . 10.0 110.971 176.164 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -52.58 131.13 39.74 Favored 'Trans proline' 0 C--N 1.351 0.708 0 C-N-CA 123.335 2.69 . . . . 10.0 113.192 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -57.88 -39.33 77.59 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.3 0.64 . . . . 10.0 112.512 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -65.63 -39.32 91.34 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.483 0.713 . . . . 10.0 111.713 177.608 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -65.39 -46.41 80.18 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 121.506 -0.747 . . . . 10.0 110.754 177.28 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 67.5 t -60.92 -47.15 94.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 123.708 0.803 . . . . 10.0 110.291 176.664 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -58.58 -39.69 81.04 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.924 0.89 . . . . 10.0 112.682 178.185 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 34.7 m -59.75 -42.64 93.64 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 119.091 0.86 . . . . 10.0 112.367 177.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 27.4 mm -68.59 -43.81 83.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 CA-C-N 119.179 0.899 . . . . 10.0 110.767 177.264 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 84.0 mt -62.32 -34.0 75.77 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 121.314 -0.866 . . . . 10.0 112.257 177.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.01 -7.04 54.94 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.901 1.28 . . . . 10.0 113.974 176.265 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -119.47 -32.03 4.45 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.641 1.176 . . . . 10.0 113.925 -176.638 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -136.78 -17.27 1.45 Allowed 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 114.557 1.317 . . . . 10.0 114.557 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.84 -0.62 65.31 Favored Glycine 0 CA--C 1.537 1.441 0 N-CA-C 116.083 1.193 . . . . 10.0 116.083 178.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -149.2 158.77 44.45 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 118.827 1.313 . . . . 10.0 113.508 -178.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 78.9 mt -135.33 133.74 52.55 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 C-N-CA 126.284 1.834 . . . . 10.0 110.0 -178.297 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -89.95 135.79 33.43 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.131 1.372 . . . . 10.0 108.756 173.523 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 66.5 mmm -136.6 157.21 47.31 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 125.599 1.56 . . . . 10.0 111.861 -177.376 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 56.0 m-70 -128.6 134.8 48.69 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.78 1.232 . . . . 10.0 110.233 176.41 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 53.8 t -55.85 118.06 4.25 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 126.597 1.959 . . . . 10.0 110.964 179.081 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -65.72 -7.27 14.68 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 113.648 0.981 . . . . 10.0 113.648 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -111.76 -36.41 5.46 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 126.242 1.817 . . . . 10.0 114.076 -177.401 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 10.5 m -122.28 -10.89 8.45 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 115.584 1.698 . . . . 10.0 115.584 -174.373 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 77.4 -10.29 23.32 Favored Glycine 0 CA--C 1.54 1.64 0 C-N-CA 124.824 1.202 . . . . 10.0 114.83 -177.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -55.85 139.65 45.06 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 126.598 1.959 . . . . 10.0 111.867 178.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 7.8 p-80 -82.53 157.11 23.66 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.293 -0.879 . . . . 10.0 112.92 -178.679 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -150.65 148.99 29.27 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 126.698 1.999 . . . . 10.0 108.058 179.44 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 31.8 tp -114.74 139.73 49.46 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.483 1.113 . . . . 10.0 108.33 177.402 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -134.22 142.6 47.43 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.7 1.2 . . . . 10.0 110.062 179.226 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -121.24 172.12 8.23 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.323 1.449 . . . . 10.0 110.467 -179.552 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.41 -39.67 70.49 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 121.613 -0.68 . . . . 10.0 112.558 178.173 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 98.3 mmm -68.01 -37.87 81.95 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.706 0.802 . . . . 10.0 112.572 177.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -65.58 -47.85 74.36 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 118.677 0.671 . . . . 10.0 110.397 177.087 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 95.9 mt -61.7 -37.51 78.18 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 C-N-CA 124.827 1.251 . . . . 10.0 110.773 179.064 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.4 -37.27 85.12 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.244 0.618 . . . . 10.0 112.236 176.155 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -73.32 -43.8 60.18 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 121.136 -0.977 . . . . 10.0 110.649 175.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 53.7 mt -58.25 -38.01 66.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 124.713 1.205 . . . . 10.0 111.271 177.214 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 63.7 ttm-85 -63.14 -27.74 69.59 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 126.117 1.767 . . . . 10.0 112.713 177.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 63.0 m-80 -103.87 16.44 26.32 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 126.332 1.853 . . . . 10.0 111.632 177.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 65.0 t30 49.31 40.6 18.69 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 126.73 2.012 . . . . 10.0 112.617 -177.551 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -115.47 21.48 14.0 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 126.041 1.736 . . . . 10.0 112.629 -177.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.3 m . . . . . 0 C--O 1.252 1.205 0 C-N-CA 128.834 2.854 . . . . 10.0 114.953 -179.729 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.9 ptm . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 120.891 0.377 . . . . 10.0 111.043 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -80.24 14.37 1.96 Allowed 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 116.218 1.932 . . . . 10.0 116.218 -174.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 19.3 m -136.7 40.23 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 C-N-CA 125.939 1.695 . . . . 10.0 113.018 -178.471 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -78.77 40.35 0.38 Allowed 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 126.182 1.793 . . . . 10.0 114.241 -179.582 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -73.36 33.6 0.08 Allowed 'General case' 0 CA--C 1.554 1.128 0 C-N-CA 125.823 1.649 . . . . 10.0 113.657 176.786 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.2 ttpp -74.81 25.84 0.09 Allowed 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 128.45 2.7 . . . . 10.0 115.368 -178.264 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.8 t -136.12 122.18 20.19 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 128.672 2.789 . . . . 10.0 108.245 179.512 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 72.9 p -76.78 -13.22 60.04 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 114.196 1.184 . . . . 10.0 114.196 -176.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 28.7 p -110.61 -122.05 0.27 Allowed 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 126.272 1.829 . . . . 10.0 111.525 179.447 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 35.6 t -161.94 163.99 28.72 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 125.624 1.569 . . . . 10.0 112.28 -178.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 74.5 ttt-85 -55.1 -30.45 59.74 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 126.153 1.781 . . . . 10.0 111.316 173.529 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -57.18 -37.12 71.67 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.358 1.463 . . . . 10.0 112.844 178.338 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 83.4 mtt180 -67.52 -43.13 81.54 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 119.148 0.885 . . . . 10.0 111.104 175.669 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 9.1 t -63.08 -41.11 99.35 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.622 0.769 . . . . 10.0 110.964 176.076 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.08 -44.74 96.02 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.007 1.323 . . . . 10.0 111.576 176.179 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -60.93 -39.55 89.87 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.026 0.93 . . . . 10.0 111.918 177.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.81 -33.54 76.09 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.62 0.768 . . . . 10.0 112.603 175.518 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.6 tp -75.77 -43.82 44.59 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.95 1.3 . . . . 10.0 110.996 178.002 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.8 pttt -56.33 -28.71 59.81 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 114.765 1.394 . . . . 10.0 114.765 -177.289 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 38.2 p -81.9 -10.44 59.29 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 114.323 1.231 . . . . 10.0 114.323 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 94.6 mt -68.26 153.9 94.86 Favored Pre-proline 0 CA--C 1.55 0.95 0 CA-C-N 119.329 0.968 . . . . 10.0 111.484 178.033 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -52.31 133.8 49.15 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 123.453 2.768 . . . . 10.0 113.031 179.433 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -56.35 -41.51 76.26 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.62 0.768 . . . . 10.0 112.098 179.27 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -61.54 -40.82 96.06 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.696 1.198 . . . . 10.0 112.454 178.394 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -69.49 -45.87 67.95 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.506 0.722 . . . . 10.0 111.031 178.072 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.4 t -60.37 -48.38 88.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 123.656 0.782 . . . . 10.0 110.287 177.505 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -62.69 -38.25 89.65 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.848 0.859 . . . . 10.0 112.56 177.521 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 74.0 m -60.94 -42.01 97.34 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 118.709 0.686 . . . . 10.0 112.41 178.297 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 68.9 mt -67.71 -44.06 86.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 CA-C-N 118.711 0.687 . . . . 10.0 109.934 177.499 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 95.7 mt -60.92 -37.95 84.07 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.329 -0.857 . . . . 10.0 112.057 176.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.3 -15.04 63.42 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 124.247 1.019 . . . . 10.0 113.729 176.606 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -108.32 -28.43 9.42 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.035 1.334 . . . . 10.0 114.016 -178.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -140.99 -8.28 1.04 Allowed 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 115.892 1.812 . . . . 10.0 115.892 -177.391 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 73.54 -3.89 30.84 Favored Glycine 0 CA--C 1.539 1.568 0 O-C-N 120.943 -1.098 . . . . 10.0 115.754 179.548 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -152.91 161.6 42.35 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.308 1.443 . . . . 10.0 112.197 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 20.1 mt -134.1 136.55 53.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 C-N-CA 126.885 2.074 . . . . 10.0 110.065 -175.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -98.19 129.8 44.95 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.749 1.219 . . . . 10.0 108.514 173.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 15.1 tpt -128.8 149.22 50.82 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.475 1.11 . . . . 10.0 111.066 -177.444 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 61.7 t60 -99.81 141.61 32.39 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.265 1.426 . . . . 10.0 113.844 -175.669 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 53.6 t -87.91 89.43 7.99 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.827 1.651 . . . . 10.0 108.162 174.316 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -58.5 -24.19 59.84 Favored 'General case' 0 CA--C 1.549 0.925 0 O-C-N 121.408 -0.807 . . . . 10.0 113.031 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -72.03 -38.09 69.62 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 126.138 1.775 . . . . 10.0 114.689 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 32.0 m -123.17 -24.25 4.74 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 115.707 1.743 . . . . 10.0 115.707 -174.574 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.98 -2.58 44.56 Favored Glycine 0 CA--C 1.539 1.577 0 C-N-CA 125.242 1.401 . . . . 10.0 114.009 -178.52 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -75.12 -172.34 1.65 Allowed 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 126.113 1.765 . . . . 10.0 112.838 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -146.46 163.21 36.4 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.902 1.281 . . . . 10.0 111.029 176.128 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -148.72 156.78 42.83 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 125.719 1.608 . . . . 10.0 108.842 -178.62 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 58.7 mt -113.74 142.06 46.51 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.799 0.84 . . . . 10.0 111.055 -179.699 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -135.31 141.84 45.72 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 126.093 1.757 . . . . 10.0 110.069 -178.059 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 24.9 p30 -121.48 175.8 6.0 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.244 1.018 . . . . 10.0 111.823 179.061 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.2 -41.81 72.46 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 113.496 0.924 . . . . 10.0 113.496 -178.082 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 26.5 mmt -70.6 -38.92 74.05 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.201 0.601 . . . . 10.0 112.511 178.097 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -70.91 -40.68 72.01 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 121.267 -0.895 . . . . 10.0 111.579 179.205 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 74.0 mt -64.14 -35.89 75.22 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 C-N-CA 124.523 1.129 . . . . 10.0 109.881 174.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.25 -38.27 90.45 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.703 -0.623 . . . . 10.0 111.19 175.306 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -70.93 -36.55 72.68 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 121.22 -0.925 . . . . 10.0 111.363 175.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 57.0 mt -61.45 -42.78 95.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 O-C-N 121.539 -0.726 . . . . 10.0 109.434 173.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.9 mmp_? -65.92 -29.37 69.78 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.107 1.363 . . . . 10.0 112.392 174.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -75.16 -33.28 61.47 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.51 0.724 . . . . 10.0 111.896 175.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -77.79 -37.3 49.16 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.797 1.639 . . . . 10.0 112.973 179.383 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -148.08 144.4 27.84 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.96 1.304 . . . . 10.0 111.809 179.525 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.0 m . . . . . 0 C--O 1.251 1.154 0 C-N-CA 126.864 2.066 . . . . 10.0 114.415 -178.93 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.7 ttt . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 119.487 -0.292 . . . . 10.0 110.564 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -68.41 155.12 40.48 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.25 1.02 . . . . 10.0 113.501 179.079 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.5 p -158.62 152.88 6.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 126.03 1.732 . . . . 10.0 110.115 178.505 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -72.67 97.14 2.11 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.306 1.042 . . . . 10.0 111.016 178.031 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -145.09 155.37 43.29 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.121 1.368 . . . . 10.0 111.863 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -62.7 154.85 28.1 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 127.202 2.201 . . . . 10.0 112.91 -179.264 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 41.9 t -56.49 134.15 53.83 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.244 1.818 . . . . 10.0 111.992 176.667 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 89.7 m -72.27 -20.93 61.45 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.889 1.276 . . . . 10.0 111.947 177.429 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.6 p -125.19 -104.3 0.35 Allowed 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 127.23 2.212 . . . . 10.0 111.633 -178.176 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.6 t -164.03 166.08 21.81 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.691 1.197 . . . . 10.0 113.196 -178.49 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.6 ttp180 -55.14 -30.47 59.87 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 125.349 1.46 . . . . 10.0 111.46 174.026 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -56.92 -35.2 68.75 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.896 1.278 . . . . 10.0 112.514 178.675 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.6 mmm180 -69.45 -41.8 75.77 Favored 'General case' 0 N--CA 1.477 0.908 0 O-C-N 121.319 -0.863 . . . . 10.0 111.357 175.097 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 9.1 t -64.5 -39.05 93.06 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 123.991 0.916 . . . . 10.0 110.983 175.257 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.07 -44.46 96.63 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.982 1.313 . . . . 10.0 111.479 175.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -61.94 -36.62 81.94 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.182 0.993 . . . . 10.0 111.204 176.352 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.79 -33.66 68.75 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.186 0.994 . . . . 10.0 112.756 174.658 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.9 tp -70.42 -42.62 71.35 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.468 1.507 . . . . 10.0 111.199 178.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.5 pttm -57.64 -24.22 55.34 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 115.623 1.712 . . . . 10.0 115.623 -177.326 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 68.6 p -86.8 -11.93 49.52 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 113.657 0.984 . . . . 10.0 113.657 179.26 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 80.2 mt -70.16 156.49 91.75 Favored Pre-proline 0 CA--C 1.55 0.95 0 C-N-CA 124.088 0.955 . . . . 10.0 110.872 176.686 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -51.53 115.81 2.32 Favored 'Trans proline' 0 C--N 1.352 0.751 0 C-N-CA 123.55 2.833 . . . . 10.0 112.623 178.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -57.92 -35.65 71.37 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 113.157 0.799 . . . . 10.0 113.157 -177.578 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -65.27 -38.41 90.19 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.847 0.859 . . . . 10.0 112.065 177.382 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -69.52 -43.36 73.2 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 121.295 -0.878 . . . . 10.0 110.179 175.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 42.7 t -57.91 -47.48 86.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 124.513 1.125 . . . . 10.0 109.821 175.61 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -65.47 -36.55 84.22 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.537 0.735 . . . . 10.0 112.683 177.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.0 m -61.26 -40.26 93.45 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.486 0.714 . . . . 10.0 111.74 177.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 75.6 mt -68.27 -45.0 83.51 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 123.14 0.576 . . . . 10.0 109.671 175.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 61.1 mt -59.04 -37.56 77.29 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 121.143 -0.973 . . . . 10.0 112.337 176.648 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.27 -6.42 34.77 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 114.527 1.306 . . . . 10.0 114.527 177.602 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -127.69 -27.82 2.79 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 114.25 1.204 . . . . 10.0 114.25 -177.58 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -128.4 -16.31 4.41 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.447 1.499 . . . . 10.0 114.617 -179.628 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.84 -0.83 42.47 Favored Glycine 0 CA--C 1.54 1.618 0 N-CA-C 116.043 1.177 . . . . 10.0 116.043 179.121 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -157.68 161.28 38.57 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.761 1.624 . . . . 10.0 111.671 179.565 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 16.8 mt -133.63 136.11 54.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 125.619 1.568 . . . . 10.0 109.614 -179.617 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -103.23 126.44 50.4 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.908 1.683 . . . . 10.0 109.668 176.102 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 28.0 ttt -138.84 149.44 44.91 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.242 1.017 . . . . 10.0 112.362 -177.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 78.1 m-70 -95.35 134.38 38.2 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.3 1.04 . . . . 10.0 110.219 176.45 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 38.3 t -54.75 121.84 9.42 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.568 1.547 . . . . 10.0 110.906 178.615 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -63.06 -9.32 9.94 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 115.101 1.519 . . . . 10.0 115.101 -177.052 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -105.55 -33.92 7.94 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 115.119 1.525 . . . . 10.0 115.119 -176.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 7.5 p -140.62 -0.57 1.54 Allowed 'General case' 0 CA--C 1.551 0.983 0 N-CA-C 116.194 1.924 . . . . 10.0 116.194 -176.245 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 81.7 -2.8 81.84 Favored Glycine 0 CA--C 1.534 1.26 0 N-CA-C 117.596 1.798 . . . . 10.0 117.596 174.587 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 15.1 t30 -60.85 135.26 57.73 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 120.063 1.931 . . . . 10.0 111.316 178.4 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 15.7 p80 -82.4 143.0 31.51 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 121.408 -0.807 . . . . 10.0 112.253 -179.653 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -143.74 157.29 44.5 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 126.229 1.812 . . . . 10.0 108.893 179.668 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.435 ' H ' HD23 ' A' ' 48' ' ' LEU . 1.6 pt? -114.99 146.97 40.68 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.075 0.95 . . . . 10.0 111.968 178.311 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -130.53 126.46 36.87 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 125.534 1.534 . . . . 10.0 109.921 179.588 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 25.8 m-80 -93.53 171.75 8.7 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.418 1.087 . . . . 10.0 111.407 -178.139 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.38 -39.07 75.28 Favored 'General case' 0 CA--C 1.545 0.75 0 O-C-N 121.723 -0.611 . . . . 10.0 111.234 174.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 67.6 mtt -67.34 -39.25 85.79 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.389 1.076 . . . . 10.0 112.343 177.038 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -62.53 -48.05 81.25 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 118.596 0.635 . . . . 10.0 110.381 177.122 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 48.6 mt -66.57 -37.57 79.85 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 C-N-CA 124.198 0.999 . . . . 10.0 111.172 179.534 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.07 -36.01 78.47 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 118.932 0.787 . . . . 10.0 111.87 174.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -72.36 -45.12 61.24 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 121.524 -0.735 . . . . 10.0 110.642 175.425 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 73.4 mt -57.85 -41.74 80.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 123.729 0.811 . . . . 10.0 110.085 177.126 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -61.24 -17.26 52.43 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 125.963 1.705 . . . . 10.0 115.168 177.15 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -127.04 0.4 6.54 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 115.182 1.549 . . . . 10.0 115.182 179.524 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -131.13 -21.67 2.62 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.091 1.357 . . . . 10.0 114.075 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 53.26 17.95 1.14 Allowed 'General case' 0 CA--C 1.555 1.144 0 N-CA-C 117.11 2.263 . . . . 10.0 117.11 177.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 49.7 m . . . . . 0 C--O 1.254 1.295 0 C-N-CA 128.15 2.58 . . . . 10.0 114.995 179.36 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.6 tpt . . . . . 0 N--CA 1.486 1.348 0 N-CA-C 110.363 -0.236 . . . . 10.0 110.363 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -148.91 157.22 43.27 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.239 1.416 . . . . 10.0 111.261 179.353 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.1 t -62.41 138.14 23.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 125.35 1.46 . . . . 10.0 112.907 -177.613 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -87.58 50.53 2.02 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 125.518 1.527 . . . . 10.0 111.312 178.02 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -131.52 38.2 3.61 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.623 1.569 . . . . 10.0 112.088 -177.322 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.1 pttm -122.1 4.1 9.85 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 126.356 1.862 . . . . 10.0 115.655 -179.193 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.3 t -156.86 122.79 4.83 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 129.69 3.196 . . . . 10.0 108.617 175.728 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.2 t -64.63 -18.47 64.96 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 114.181 1.178 . . . . 10.0 114.181 -178.205 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 p -126.77 0.39 6.72 Favored 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 127.059 2.143 . . . . 10.0 114.8 -175.762 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.3 t 62.37 174.14 0.14 Allowed 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 127.32 2.248 . . . . 10.0 116.751 177.388 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.82 -33.25 64.28 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 127.228 2.211 . . . . 10.0 111.839 176.163 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.5 tm-20 -54.72 -44.11 73.21 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 125.009 1.324 . . . . 10.0 112.948 -178.556 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -69.58 -37.48 76.99 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 118.875 0.762 . . . . 10.0 112.481 176.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 16.6 t -66.5 -42.03 88.01 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.48 0.712 . . . . 10.0 111.306 176.197 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.98 -45.8 92.03 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.121 1.368 . . . . 10.0 111.423 176.717 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -62.84 -36.42 83.16 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.374 0.669 . . . . 10.0 111.93 177.543 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.8 -40.69 75.81 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.425 0.69 . . . . 10.0 112.664 176.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.7 tp -62.39 -41.71 98.86 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.236 1.414 . . . . 10.0 112.421 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.5 pttt -59.44 -20.78 57.73 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 114.456 1.28 . . . . 10.0 114.456 -179.375 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 29.3 p -71.29 -21.66 62.05 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.048 0.939 . . . . 10.0 113.393 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 88.6 mt -69.76 141.7 90.32 Favored Pre-proline 0 CA--C 1.546 0.819 0 C-N-CA 123.901 0.88 . . . . 10.0 110.563 177.412 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_exo -52.0 128.82 28.27 Favored 'Trans proline' 0 C--N 1.352 0.712 0 C-N-CA 123.213 2.609 . . . . 10.0 112.552 178.311 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -55.58 -36.0 66.41 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.692 0.797 . . . . 10.0 113.011 -178.576 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -62.87 -42.3 99.7 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.682 0.793 . . . . 10.0 112.152 177.454 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -69.94 -40.03 75.74 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.334 -0.854 . . . . 10.0 111.517 176.364 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.53 -45.53 96.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 123.899 0.88 . . . . 10.0 109.916 176.31 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -61.09 -39.18 88.96 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.081 0.953 . . . . 10.0 112.228 176.701 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 75.7 m -59.93 -40.76 90.0 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 119.228 0.922 . . . . 10.0 112.199 176.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 80.9 mt -68.03 -46.19 82.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 123.558 0.743 . . . . 10.0 109.993 177.419 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 93.8 mt -59.74 -36.65 77.03 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 121.445 -0.785 . . . . 10.0 111.679 177.134 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.01 -11.1 56.05 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 114.909 1.448 . . . . 10.0 114.909 177.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -122.72 -11.73 8.17 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 114.912 1.449 . . . . 10.0 114.912 179.387 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -141.69 -14.79 0.83 Allowed 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 115.159 1.54 . . . . 10.0 115.159 179.63 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.73 -4.69 20.62 Favored Glycine 0 CA--C 1.538 1.51 0 C-N-CA 125.108 1.337 . . . . 10.0 115.932 178.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -155.97 168.13 28.21 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.418 1.487 . . . . 10.0 111.986 -179.239 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 65.2 mt -135.2 129.91 50.77 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 C-N-CA 126.436 1.894 . . . . 10.0 109.885 -177.337 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -91.92 105.06 17.41 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 107.177 -1.416 . . . . 10.0 107.177 173.457 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.91 153.31 23.74 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 124.68 1.192 . . . . 10.0 111.712 -175.683 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 71.5 m80 -118.89 136.07 54.24 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.349 1.06 . . . . 10.0 111.424 179.458 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 13.8 t -73.84 86.25 1.73 Allowed 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 127.16 2.184 . . . . 10.0 109.451 178.093 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -51.94 -22.3 3.78 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.08 1.352 . . . . 10.0 114.494 -177.349 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -65.68 -33.48 75.99 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 127.005 2.122 . . . . 10.0 114.277 177.72 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 31.2 p -139.97 -28.96 0.73 Allowed 'General case' 0 CA--C 1.549 0.928 0 N-CA-C 116.43 2.011 . . . . 10.0 116.43 -178.149 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.72 -4.49 17.0 Favored Glycine 0 CA--C 1.537 1.45 0 C-N-CA 125.522 1.534 . . . . 10.0 115.748 178.406 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -64.33 168.14 6.0 Favored 'General case' 0 CA--C 1.552 1.036 0 CA-C-N 119.19 1.495 . . . . 10.0 112.666 179.082 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -122.19 150.6 42.03 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.573 1.549 . . . . 10.0 112.535 179.087 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -150.96 152.75 34.03 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 125.736 1.614 . . . . 10.0 109.592 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 88.6 mt -106.47 141.81 37.16 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.034 0.533 . . . . 10.0 110.604 178.664 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -134.89 146.06 48.84 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.847 1.259 . . . . 10.0 110.702 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.3 p30 -127.34 175.69 8.0 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.706 1.603 . . . . 10.0 111.117 179.526 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.44 -42.49 74.29 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 113.575 0.954 . . . . 10.0 113.575 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 21.3 mmt -70.72 -40.61 72.7 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.511 0.724 . . . . 10.0 112.249 178.715 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.65 -43.39 98.93 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 121.398 -0.814 . . . . 10.0 110.577 175.724 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 75.3 mt -64.96 -40.38 88.89 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 C-N-CA 124.369 1.068 . . . . 10.0 110.512 177.306 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.63 -36.9 85.35 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 121.457 -0.777 . . . . 10.0 111.819 175.25 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -68.89 -42.89 76.32 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.379 -0.825 . . . . 10.0 110.368 175.562 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 51.0 mt -58.11 -42.58 83.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 124.045 0.938 . . . . 10.0 110.117 176.305 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 60.8 mtp180 -66.0 -10.99 44.7 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 126.091 1.756 . . . . 10.0 114.979 176.411 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 63.0 m-80 -129.95 -5.05 4.51 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 115.435 1.643 . . . . 10.0 115.435 -177.256 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -140.15 -8.73 1.16 Allowed 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.089 1.356 . . . . 10.0 114.382 -178.295 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -129.43 21.98 5.59 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 124.493 1.117 . . . . 10.0 112.683 178.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.3 m . . . . . 0 C--O 1.252 1.231 0 C-N-CA 126.993 2.117 . . . . 10.0 113.275 178.779 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.8 tpt . . . . . 0 N--CA 1.487 1.409 0 N-CA-C 110.41 -0.219 . . . . 10.0 110.41 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -133.17 52.79 2.06 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.845 1.258 . . . . 10.0 112.837 -177.061 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.9 p -147.86 156.42 9.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 124.957 1.303 . . . . 10.0 111.269 178.369 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -139.16 65.29 1.45 Allowed 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.602 1.561 . . . . 10.0 109.561 178.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -66.31 139.86 58.08 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.169 1.388 . . . . 10.0 113.309 -177.181 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.6 ptmt -161.68 171.96 17.04 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 127.154 2.181 . . . . 10.0 110.717 175.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 43.2 t -56.56 121.16 9.04 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.084 1.354 . . . . 10.0 109.618 173.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 71.5 p -69.74 -13.36 62.25 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 115.332 1.604 . . . . 10.0 115.332 -175.361 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 25.5 p -121.97 -13.88 8.13 Favored 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 115.028 1.492 . . . . 10.0 115.028 -178.439 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 31.8 m 55.59 -175.14 0.05 OUTLIER 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 127.2 2.2 . . . . 10.0 115.948 178.27 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.7 ttp180 -55.11 -29.9 58.62 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 125.084 1.353 . . . . 10.0 113.321 -179.626 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -52.34 -42.33 63.78 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.251 1.421 . . . . 10.0 113.225 -179.421 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 49.2 mtt180 -66.53 -42.4 87.28 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-N 119.59 1.086 . . . . 10.0 111.763 175.597 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 60.5 m -63.25 -39.27 94.13 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 118.674 0.67 . . . . 10.0 111.166 175.531 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.0 -43.77 98.14 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.958 0.903 . . . . 10.0 111.105 176.145 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -65.02 -42.18 94.61 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.633 -0.667 . . . . 10.0 111.636 176.117 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.8 -33.55 74.31 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.032 0.933 . . . . 10.0 112.256 175.754 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 15.8 tp -75.19 -44.98 43.52 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.84 1.656 . . . . 10.0 110.64 177.217 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.19 -24.3 64.67 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 116.566 2.061 . . . . 10.0 116.566 -177.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 42.5 p -78.3 -16.01 58.18 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 113.324 0.861 . . . . 10.0 113.324 178.6 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 87.2 mt -72.03 155.34 91.95 Favored Pre-proline 0 CA--C 1.547 0.86 0 C-N-CA 124.403 1.081 . . . . 10.0 111.335 177.218 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -54.89 139.28 78.7 Favored 'Trans proline' 0 C--N 1.351 0.701 0 C-N-CA 122.858 2.372 . . . . 10.0 111.55 176.248 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -57.06 -42.0 79.75 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 121.6 -0.687 . . . . 10.0 112.25 -179.547 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -62.17 -30.98 71.44 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 113.899 1.074 . . . . 10.0 113.899 177.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -69.23 -36.57 77.33 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.136 0.974 . . . . 10.0 111.182 175.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 98.3 t -75.9 -45.25 37.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 124.465 1.106 . . . . 10.0 110.527 176.659 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -62.43 -36.49 82.56 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.098 1.359 . . . . 10.0 113.915 -178.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 94.0 p -61.51 -35.29 77.29 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 113.065 0.765 . . . . 10.0 113.065 179.234 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 8.9 mm -68.52 -38.25 78.9 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 CA-C-N 119.06 0.846 . . . . 10.0 110.591 177.625 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 64.2 mt -62.1 -30.36 70.96 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.191 -0.943 . . . . 10.0 112.224 175.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.48 -6.2 57.8 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 124.778 1.231 . . . . 10.0 114.051 176.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -124.86 -26.65 3.72 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 114.602 1.334 . . . . 10.0 114.602 -177.58 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -138.79 -25.96 0.88 Allowed 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 114.25 1.204 . . . . 10.0 114.25 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.06 -2.93 88.01 Favored Glycine 0 CA--C 1.538 1.483 0 N-CA-C 115.667 1.027 . . . . 10.0 115.667 178.056 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -151.17 163.0 39.84 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.938 1.695 . . . . 10.0 111.22 179.565 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 73.4 mt -131.24 136.47 57.64 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 C-N-CA 126.159 1.783 . . . . 10.0 109.116 179.211 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -108.05 133.06 52.88 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 125.363 1.465 . . . . 10.0 109.014 176.498 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 14.9 ttt -136.6 139.32 42.03 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.646 0.779 . . . . 10.0 111.841 -177.529 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 15.6 t60 -94.64 134.63 37.0 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.656 1.183 . . . . 10.0 111.472 -178.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 41.9 t -80.18 80.8 6.55 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.514 1.526 . . . . 10.0 108.607 175.24 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -57.23 -20.94 30.37 Favored 'General case' 0 CA--C 1.548 0.867 0 O-C-N 121.321 -0.862 . . . . 10.0 112.423 178.328 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -68.58 -39.59 80.89 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.544 1.938 . . . . 10.0 113.991 178.039 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 28.1 m -127.06 -28.64 2.86 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 116.303 1.964 . . . . 10.0 116.303 -173.459 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 116.05 -9.91 18.1 Favored Glycine 0 CA--C 1.54 1.599 0 C-N-CA 125.537 1.542 . . . . 10.0 115.258 179.639 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 54.9 t30 -75.21 -173.95 2.18 Favored 'General case' 0 CA--C 1.555 1.144 0 C-N-CA 125.336 1.454 . . . . 10.0 112.658 179.662 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -143.53 163.11 34.09 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.355 1.462 . . . . 10.0 109.742 173.378 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -147.46 153.97 40.22 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 124.739 1.215 . . . . 10.0 109.508 -177.404 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 94.3 mt -114.45 147.5 39.2 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.892 0.877 . . . . 10.0 110.487 179.022 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -134.59 139.27 45.22 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 125.252 1.421 . . . . 10.0 110.222 179.117 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.4 p30 -121.71 -178.97 3.96 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.306 1.043 . . . . 10.0 113.091 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.8 -38.33 69.82 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 113.559 0.948 . . . . 10.0 113.559 179.481 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 65.0 mtt -70.42 -38.71 74.62 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.46 0.704 . . . . 10.0 111.667 177.699 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -63.21 -46.79 85.33 Favored 'General case' 0 N--CA 1.467 0.411 0 O-C-N 121.706 -0.621 . . . . 10.0 110.367 175.419 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 48.3 mt -63.83 -38.39 82.22 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 C-N-CA 124.665 1.186 . . . . 10.0 110.856 178.486 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.69 -36.04 79.73 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 118.765 0.711 . . . . 10.0 111.894 175.122 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -73.43 -43.67 59.9 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 121.562 -0.711 . . . . 10.0 110.821 174.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 71.8 mt -58.23 -36.42 57.66 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.824 0 O-C-N 120.876 -1.14 . . . . 10.0 110.531 175.549 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 84.3 mtt180 -64.37 -15.94 61.37 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 126.159 1.783 . . . . 10.0 113.727 175.071 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . 0.25 12.8 p30 -111.1 25.54 11.65 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 125.499 1.519 . . . . 10.0 111.535 173.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 61.6 t30 62.13 35.13 15.89 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 128.331 2.652 . . . . 10.0 114.844 177.288 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.9 -13.68 61.97 Favored 'General case' 0 CA--C 1.553 1.067 0 N-CA-C 114.372 1.249 . . . . 10.0 114.372 177.34 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 48.5 m . . . . . 0 C--O 1.25 1.088 0 C-N-CA 126.749 2.019 . . . . 10.0 111.183 179.607 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.9 tpt . . . . . 0 N--CA 1.485 1.282 0 N-CA-C 110.271 -0.27 . . . . 10.0 110.271 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -155.22 151.53 28.23 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.931 1.693 . . . . 10.0 110.699 179.248 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.9 p -64.89 133.99 29.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 123.754 0.822 . . . . 10.0 112.101 -179.194 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -150.16 157.92 43.62 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.304 1.442 . . . . 10.0 110.595 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -136.16 52.01 2.0 Allowed 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 126.86 2.064 . . . . 10.0 110.18 -178.431 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.2 ttmt -134.08 24.45 3.89 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 126.946 2.098 . . . . 10.0 113.158 -173.592 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 7.7 t -49.82 110.18 0.36 Allowed 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 127.335 2.254 . . . . 10.0 113.464 -177.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.0 t -77.03 -34.46 57.31 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.697 0.799 . . . . 10.0 112.835 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 6.9 p -83.57 -5.52 59.19 Favored 'General case' 0 CA--C 1.555 1.14 0 C-N-CA 126.116 1.766 . . . . 10.0 114.16 179.145 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.6 t 76.15 171.54 0.25 Allowed 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 128.44 2.696 . . . . 10.0 117.68 173.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 32.6 ttt180 -54.66 -30.29 54.94 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 128.307 2.643 . . . . 10.0 112.626 177.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -56.99 -35.22 68.94 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.979 0.912 . . . . 10.0 112.335 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.8 mmp_? -69.23 -45.95 68.56 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.712 0.805 . . . . 10.0 111.665 176.72 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 8.6 t -63.83 -37.83 88.84 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.386 1.074 . . . . 10.0 111.339 176.386 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.62 -44.53 93.66 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.721 1.208 . . . . 10.0 110.758 175.602 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -63.23 -37.6 87.89 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.566 -0.709 . . . . 10.0 111.546 176.009 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.06 -33.83 76.29 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 123.493 0.717 . . . . 10.0 112.0 175.062 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.3 tp -76.06 -43.04 45.6 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.713 1.605 . . . . 10.0 110.742 176.005 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -50.93 -36.6 39.42 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 127.636 2.374 . . . . 10.0 114.605 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 52.0 p -77.77 -13.06 60.01 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 114.547 1.314 . . . . 10.0 114.547 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 78.5 mt -70.63 154.01 94.61 Favored Pre-proline 0 CA--C 1.55 0.976 0 CA-C-N 119.539 1.063 . . . . 10.0 111.194 177.661 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -53.72 132.19 47.98 Favored 'Trans proline' 0 C--N 1.352 0.719 0 C-N-CA 123.253 2.635 . . . . 10.0 113.083 179.421 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -57.49 -40.28 78.29 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.782 0.833 . . . . 10.0 113.028 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -63.85 -38.45 91.15 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.64 1.176 . . . . 10.0 112.672 177.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -69.26 -43.59 73.63 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.487 -0.758 . . . . 10.0 110.618 178.023 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 71.0 t -61.47 -48.68 87.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 123.69 0.796 . . . . 10.0 109.905 176.109 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -60.17 -39.92 88.1 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.012 0.925 . . . . 10.0 112.478 177.544 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.6 t -60.25 -45.72 92.27 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.801 0.84 . . . . 10.0 112.104 178.251 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 63.1 mt -65.12 -44.35 95.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 O-C-N 121.438 -0.789 . . . . 10.0 110.366 177.019 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 72.1 mt -59.81 -35.04 73.88 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 121.382 -0.824 . . . . 10.0 112.271 177.301 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.78 -8.44 54.26 Favored 'General case' 0 CA--C 1.55 0.974 0 N-CA-C 114.337 1.236 . . . . 10.0 114.337 177.109 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -122.68 -23.62 5.07 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 114.571 1.323 . . . . 10.0 114.571 -179.048 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -139.1 -17.57 1.04 Allowed 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 115.233 1.568 . . . . 10.0 115.233 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 77.02 -1.08 64.48 Favored Glycine 0 CA--C 1.539 1.554 0 N-CA-C 116.123 1.209 . . . . 10.0 116.123 178.29 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -151.39 160.51 43.71 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 118.904 1.352 . . . . 10.0 113.178 179.276 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 95.4 mt -134.24 136.32 53.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 126.494 1.918 . . . . 10.0 110.421 -177.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -96.4 127.15 42.13 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.342 1.457 . . . . 10.0 107.841 172.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 13.4 tpt -137.04 160.36 39.16 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.022 1.329 . . . . 10.0 111.623 -176.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -126.29 140.21 52.7 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.171 0.988 . . . . 10.0 112.114 177.766 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 36.6 t -60.51 116.88 4.66 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 126.599 1.96 . . . . 10.0 110.461 179.119 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -63.74 -13.89 47.67 Favored 'General case' 0 CA--C 1.549 0.934 0 N-CA-C 113.764 1.024 . . . . 10.0 113.764 -179.528 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -89.13 -37.71 14.86 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.976 1.71 . . . . 10.0 114.519 -177.088 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 23.0 p -139.19 -0.46 1.83 Allowed 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 116.582 2.067 . . . . 10.0 116.582 -177.401 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 81.32 -2.59 81.28 Favored Glycine 0 CA--C 1.537 1.459 0 N-CA-C 116.251 1.26 . . . . 10.0 116.251 177.008 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -61.49 134.85 57.34 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 118.881 1.34 . . . . 10.0 111.653 178.627 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -87.24 154.53 20.64 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 113.666 0.987 . . . . 10.0 113.666 -179.283 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -152.8 159.44 43.07 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 127.189 2.196 . . . . 10.0 108.649 177.487 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.416 ' H ' HD23 ' A' ' 48' ' ' LEU . 1.9 pt? -114.77 145.35 42.2 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.336 1.055 . . . . 10.0 110.512 175.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -132.84 145.23 50.79 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.856 1.262 . . . . 10.0 110.898 -179.374 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 14.7 m-80 -118.16 170.47 8.84 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.867 1.267 . . . . 10.0 111.152 -177.113 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.72 -37.35 68.31 Favored 'General case' 0 CA--C 1.546 0.808 0 O-C-N 121.481 -0.762 . . . . 10.0 111.933 176.036 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 77.3 mtm -64.73 -39.38 93.53 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.562 1.145 . . . . 10.0 112.228 176.703 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -69.44 -46.01 67.76 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.455 0.702 . . . . 10.0 110.713 176.607 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 47.7 mt -62.1 -36.92 76.88 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 C-N-CA 125.15 1.38 . . . . 10.0 111.582 -178.311 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.65 -38.09 83.71 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 118.338 0.517 . . . . 10.0 111.762 174.496 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -73.37 -43.75 60.03 Favored 'General case' 0 N--CA 1.467 0.419 0 O-C-N 121.536 -0.728 . . . . 10.0 110.538 175.55 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 71.7 mt -57.98 -37.36 60.71 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 124.844 1.258 . . . . 10.0 111.352 178.156 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -67.65 -13.29 61.96 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 125.7 1.6 . . . . 10.0 113.173 175.702 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 64.4 m-80 -119.58 24.13 10.8 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 127.702 2.401 . . . . 10.0 110.389 175.693 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 26.5 t30 47.31 32.28 2.12 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 128.18 2.592 . . . . 10.0 114.589 -178.678 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 44.33 37.89 2.22 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 127.203 2.201 . . . . 10.0 114.457 -178.041 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 70.8 m . . . . . 0 C--O 1.252 1.195 0 C-N-CA 126.215 1.806 . . . . 10.0 113.052 -177.182 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 N--CA 1.478 0.964 0 N-CA-C 112.234 0.457 . . . . 10.0 112.234 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 32.2 ttp85 -55.02 -30.17 58.95 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 124.585 1.154 . . . . 10.0 112.4 176.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -56.16 -31.6 63.54 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.407 1.483 . . . . 10.0 112.286 177.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -70.88 -45.42 64.42 Favored 'General case' 0 N--CA 1.477 0.877 0 O-C-N 121.15 -0.969 . . . . 10.0 110.272 176.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 17.3 t -61.6 -41.94 98.15 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.811 0.844 . . . . 10.0 110.944 174.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.49 -43.93 97.62 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.68 1.192 . . . . 10.0 111.785 176.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -60.88 -41.34 95.79 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 121.232 -0.917 . . . . 10.0 111.366 176.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.46 -33.57 72.76 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.24 1.016 . . . . 10.0 112.638 175.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.0 tp -75.84 -45.28 36.63 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.211 1.404 . . . . 10.0 110.292 176.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.8 tmtt? -53.52 -32.06 48.84 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 126.187 1.795 . . . . 10.0 115.147 -178.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 43.5 p -81.03 -12.5 59.33 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 114.664 1.357 . . . . 10.0 114.664 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 86.7 mt -69.23 153.0 96.38 Favored Pre-proline 0 CA--C 1.55 0.95 0 CA-C-N 119.661 1.118 . . . . 10.0 111.741 178.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -52.79 133.6 51.29 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 123.36 2.707 . . . . 10.0 112.882 178.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -56.98 -40.81 77.23 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.201 0.6 . . . . 10.0 112.31 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -64.99 -35.4 81.06 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.617 0.767 . . . . 10.0 112.922 177.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -69.74 -47.54 62.65 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 121.47 -0.768 . . . . 10.0 110.988 177.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 88.5 t -61.12 -46.94 95.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 123.544 0.738 . . . . 10.0 110.054 177.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -61.44 -39.63 91.53 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.573 0.749 . . . . 10.0 112.314 177.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 75.3 m -60.85 -44.21 97.29 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 118.734 0.697 . . . . 10.0 112.219 178.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 66.1 mt -65.41 -45.58 92.63 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 CA-C-N 118.675 0.671 . . . . 10.0 110.101 177.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 97.3 mt -60.54 -36.6 78.82 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 121.301 -0.874 . . . . 10.0 111.907 177.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.66 -10.96 60.41 Favored 'General case' 0 CA--C 1.55 0.947 0 N-CA-C 114.439 1.274 . . . . 10.0 114.439 177.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -121.05 -19.94 7.0 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 114.491 1.293 . . . . 10.0 114.491 -178.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -136.41 -14.81 1.7 Allowed 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 114.671 1.359 . . . . 10.0 114.671 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.75 -8.08 30.47 Favored Glycine 0 CA--C 1.536 1.405 0 C-N-CA 124.771 1.177 . . . . 10.0 115.831 178.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -156.9 169.78 23.99 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.156 1.383 . . . . 10.0 112.144 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.3 mt -132.85 136.46 55.62 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 C-N-CA 127.354 2.262 . . . . 10.0 108.404 -178.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -119.49 106.94 12.72 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 126.216 1.806 . . . . 10.0 108.449 178.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 26.3 ptm -139.93 157.56 45.49 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 114.585 1.328 . . . . 10.0 114.585 -176.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -94.42 141.87 28.09 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.929 1.692 . . . . 10.0 112.864 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 48.7 t -58.48 126.75 28.9 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.889 1.676 . . . . 10.0 110.823 176.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -63.15 -12.66 29.22 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 114.334 1.235 . . . . 10.0 114.334 -179.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -102.13 -32.29 10.19 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 114.961 1.467 . . . . 10.0 114.961 -177.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 26.5 p -138.81 -2.13 1.75 Allowed 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 116.798 2.147 . . . . 10.0 116.798 -176.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 78.78 -1.91 71.08 Favored Glycine 0 CA--C 1.539 1.556 0 N-CA-C 116.462 1.345 . . . . 10.0 116.462 177.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 -65.71 133.93 52.11 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 119.24 1.52 . . . . 10.0 110.97 178.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -82.44 151.16 26.68 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 113.67 0.989 . . . . 10.0 113.67 -177.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -149.7 156.52 42.01 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 126.99 2.116 . . . . 10.0 109.28 178.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 80.4 mt -112.67 141.85 45.97 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.58 0.752 . . . . 10.0 110.212 178.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -135.41 133.62 38.84 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 125.024 1.33 . . . . 10.0 110.44 -179.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 24.7 p30 -121.91 175.6 6.22 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.779 1.232 . . . . 10.0 111.416 177.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.58 -40.93 72.63 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 113.861 1.06 . . . . 10.0 113.861 -178.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 33.8 mmt -70.6 -39.52 73.77 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.436 0.694 . . . . 10.0 112.239 178.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -66.59 -43.31 85.25 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 121.466 -0.772 . . . . 10.0 110.949 177.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 66.1 mt -63.33 -35.73 73.35 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 C-N-CA 124.82 1.248 . . . . 10.0 110.116 175.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.48 -36.42 84.15 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 121.59 -0.694 . . . . 10.0 111.672 176.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -70.47 -41.84 72.22 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 121.371 -0.831 . . . . 10.0 110.477 175.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 64.6 mt . . . . . 0 N--CA 1.476 0.855 0 C-N-CA 124.197 0.999 . . . . 10.0 110.294 176.201 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.1 m . . . . . 0 N--CA 1.47 0.537 0 N-CA-C 108.925 -0.768 . . . . 10.0 108.925 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.6 mtp-105 -54.66 -32.92 59.95 Favored 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 112.822 0.675 . . . . 10.0 112.822 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -56.67 -38.4 72.16 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.86 1.664 . . . . 10.0 113.232 178.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.8 mmt85 -67.13 -45.53 76.86 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.768 0.827 . . . . 10.0 111.868 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 14.3 t -68.94 -39.45 79.57 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.174 0.989 . . . . 10.0 111.461 175.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.64 -41.42 97.48 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.587 1.155 . . . . 10.0 112.242 178.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -60.47 -35.48 75.98 Favored 'General case' 0 CA--C 1.541 0.635 0 CA-C-N 119.002 0.819 . . . . 10.0 112.561 178.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.71 -33.77 76.37 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 123.684 0.794 . . . . 10.0 112.201 175.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.0 tp -76.33 -43.22 42.05 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.629 1.572 . . . . 10.0 110.824 176.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.6 ttmt -51.2 -39.91 57.53 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 127.612 2.365 . . . . 10.0 114.184 178.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 42.7 p -73.83 -14.75 61.14 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 114.416 1.265 . . . . 10.0 114.416 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 85.0 mt -68.68 149.3 97.99 Favored Pre-proline 0 CA--C 1.546 0.817 0 CA-C-N 119.546 1.066 . . . . 10.0 110.786 177.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -53.19 135.91 60.77 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 123.233 2.622 . . . . 10.0 112.963 179.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -56.27 -42.27 77.18 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.45 0.7 . . . . 10.0 112.204 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -65.54 -36.35 83.56 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.113 0.965 . . . . 10.0 112.564 177.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -69.55 -44.73 70.31 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.347 -0.845 . . . . 10.0 110.805 177.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 65.3 t -61.05 -47.61 92.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 123.888 0.875 . . . . 10.0 109.841 175.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -60.17 -38.57 83.59 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.941 0.896 . . . . 10.0 112.354 176.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.6 t -59.77 -43.16 94.47 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.665 0.786 . . . . 10.0 111.933 177.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 71.9 mt -66.96 -46.94 83.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 O-C-N 121.507 -0.746 . . . . 10.0 109.965 176.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 97.3 mt -60.05 -34.28 73.21 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.387 -0.821 . . . . 10.0 112.56 178.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.9 -11.48 56.27 Favored 'General case' 0 CA--C 1.549 0.934 0 N-CA-C 114.191 1.182 . . . . 10.0 114.191 177.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -121.75 -20.13 6.55 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 114.182 1.179 . . . . 10.0 114.182 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -131.13 -14.37 3.42 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 115.361 1.615 . . . . 10.0 115.361 -178.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 71.08 -10.14 3.49 Favored Glycine 0 CA--C 1.541 1.693 0 C-N-CA 125.107 1.337 . . . . 10.0 116.085 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -156.78 166.08 34.4 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 126.761 2.024 . . . . 10.0 111.051 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 58.5 mt -129.6 136.26 59.6 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 C-N-CA 125.933 1.693 . . . . 10.0 110.218 -176.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -100.45 94.42 6.14 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.153 1.781 . . . . 10.0 108.169 176.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 39.5 tpp -101.27 153.19 19.85 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.154 1.381 . . . . 10.0 111.841 -176.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 67.1 m-70 -116.2 139.04 50.76 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.05 0.94 . . . . 10.0 112.115 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 40.5 t -51.67 114.86 1.39 Allowed 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 127.221 2.208 . . . . 10.0 110.254 177.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -63.64 -13.31 41.22 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 113.143 0.794 . . . . 10.0 113.143 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -99.49 -37.38 9.21 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 126.292 1.837 . . . . 10.0 114.009 -178.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 9.6 m -129.46 -11.88 4.49 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 116.766 2.136 . . . . 10.0 116.766 -173.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 82.89 -6.22 71.66 Favored Glycine 0 CA--C 1.539 1.563 0 C-N-CA 124.913 1.244 . . . . 10.0 115.983 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -62.63 143.97 56.74 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 119.447 1.623 . . . . 10.0 111.91 178.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 9.1 p-80 -82.78 151.52 26.08 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 113.899 1.074 . . . . 10.0 113.899 -177.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -149.86 143.84 25.57 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 127.164 2.185 . . . . 10.0 108.081 178.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 80.8 mt -106.6 140.44 39.47 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 122.023 -0.423 . . . . 10.0 111.395 -179.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -136.15 121.99 19.91 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.657 1.583 . . . . 10.0 110.629 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 22.1 p30 -97.86 170.42 8.97 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.595 0.758 . . . . 10.0 111.592 177.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.07 -40.58 70.51 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 113.797 1.036 . . . . 10.0 113.797 -177.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 91.9 mmm -70.62 -37.89 73.88 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.251 0.62 . . . . 10.0 112.49 178.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -71.12 -42.23 69.49 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 121.356 -0.84 . . . . 10.0 111.166 178.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 78.0 mt -60.39 -37.64 75.05 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 C-N-CA 124.879 1.271 . . . . 10.0 110.4 175.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.24 -40.07 92.66 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 122.556 0.343 . . . . 10.0 111.688 178.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -72.66 -43.22 63.45 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 121.613 -0.679 . . . . 10.0 111.228 176.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 54.3 mt . . . . . 0 N--CA 1.476 0.865 0 C-N-CA 124.362 1.065 . . . . 10.0 111.879 178.995 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.3 t . . . . . 0 N--CA 1.467 0.4 0 CA-C-O 121.474 0.654 . . . . 10.0 112.544 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 73.9 ttt-85 -54.91 -30.67 58.96 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 126.306 1.842 . . . . 10.0 111.594 174.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -57.11 -39.11 74.45 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.415 1.486 . . . . 10.0 112.874 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 51.8 mtp85 -69.64 -39.95 76.79 Favored 'General case' 0 N--CA 1.477 0.92 0 O-C-N 121.317 -0.864 . . . . 10.0 111.365 176.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 11.6 t -66.29 -39.48 89.41 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.549 0.74 . . . . 10.0 111.43 176.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.55 -47.42 85.6 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.074 1.35 . . . . 10.0 111.014 177.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -61.45 -38.32 86.77 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.767 0.827 . . . . 10.0 111.894 177.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.73 -33.53 75.84 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.818 0.847 . . . . 10.0 113.147 176.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.4 tp -76.14 -45.33 34.14 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.297 1.039 . . . . 10.0 111.088 177.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.2 pttt -57.26 -28.89 63.37 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 115.102 1.519 . . . . 10.0 115.102 -176.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 41.1 p -76.96 -11.44 59.81 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 114.328 1.233 . . . . 10.0 114.328 -179.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 77.0 mt -69.06 154.91 94.55 Favored Pre-proline 0 CA--C 1.551 0.997 0 CA-C-N 119.243 0.929 . . . . 10.0 112.43 178.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -50.2 132.83 34.72 Favored 'Trans proline' 0 C--N 1.353 0.775 0 C-N-CA 124.283 3.322 . . . . 10.0 114.257 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 -57.28 -39.84 76.52 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.096 0.958 . . . . 10.0 113.486 -178.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -64.93 -41.76 95.25 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.133 0.573 . . . . 10.0 112.315 179.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -67.62 -43.68 79.82 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 121.372 -0.83 . . . . 10.0 111.287 178.055 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 55.2 t -60.41 -48.78 86.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 123.774 0.83 . . . . 10.0 110.139 176.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -61.73 -42.5 99.04 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 112.826 0.676 . . . . 10.0 112.826 178.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.6 m -59.7 -42.96 94.19 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.096 0.862 . . . . 10.0 113.068 179.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 64.6 mt -66.79 -47.11 83.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 CA-C-N 119.04 0.836 . . . . 10.0 110.144 178.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 91.0 mt -60.41 -37.33 80.51 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.417 -0.802 . . . . 10.0 112.328 178.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.39 -10.83 55.05 Favored 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 114.745 1.387 . . . . 10.0 114.745 178.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -124.46 -22.78 4.58 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 114.443 1.275 . . . . 10.0 114.443 -179.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -127.45 -15.46 5.09 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 114.799 1.407 . . . . 10.0 114.799 -179.075 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 71.01 0.8 36.66 Favored Glycine 0 CA--C 1.539 1.558 0 CA-C-N 119.401 1.0 . . . . 10.0 115.445 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -152.48 158.96 43.33 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 125.364 1.466 . . . . 10.0 112.963 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 70.7 mt -134.44 136.48 52.8 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 C-N-CA 126.713 2.005 . . . . 10.0 107.909 175.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -110.32 134.77 51.95 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.982 1.313 . . . . 10.0 108.524 176.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 45.8 tpp -131.21 147.87 52.64 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.159 0.984 . . . . 10.0 111.299 -177.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 56.7 t-80 -94.93 137.37 34.08 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.907 1.283 . . . . 10.0 113.009 -177.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 49.0 t -81.83 84.81 6.77 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 126.995 2.118 . . . . 10.0 108.794 175.165 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -60.29 -20.38 58.9 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 121.481 -0.762 . . . . 10.0 112.667 179.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -68.09 -36.21 79.41 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.875 1.67 . . . . 10.0 113.764 177.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 11.8 m -130.12 -29.68 2.04 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 116.517 2.043 . . . . 10.0 116.517 -173.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 100.95 47.06 1.65 Allowed Glycine 0 CA--C 1.536 1.347 0 CA-C-N 119.088 0.858 . . . . 10.0 112.951 -178.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -132.73 -177.85 4.68 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 126.472 1.909 . . . . 10.0 110.607 -178.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -142.17 160.43 40.25 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 120.517 -1.364 . . . . 10.0 111.975 177.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -148.65 148.22 29.83 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 125.476 1.51 . . . . 10.0 108.737 -178.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -114.21 144.28 43.46 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.158 0.983 . . . . 10.0 112.625 -179.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -135.91 152.88 51.46 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 126.699 2.0 . . . . 10.0 111.266 -174.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 26.9 m120 -121.53 171.99 8.41 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.334 1.454 . . . . 10.0 110.696 178.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.45 -43.55 75.55 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.597 0.962 . . . . 10.0 113.597 -178.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.07 -37.14 75.4 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.324 0.649 . . . . 10.0 112.643 177.265 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -69.74 -42.95 73.27 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 119.18 0.9 . . . . 10.0 110.792 178.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 87.9 mt -61.17 -38.08 78.9 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 C-N-CA 124.738 1.215 . . . . 10.0 110.044 175.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.19 -40.76 98.42 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.828 -0.545 . . . . 10.0 111.609 176.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -71.05 -39.52 72.21 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 121.614 -0.679 . . . . 10.0 111.303 176.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 44.5 mt . . . . . 0 CA--C 1.544 0.747 0 O-C-N 121.203 -0.936 . . . . 10.0 109.937 174.01 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.7 t . . . . . 0 CA--C 1.542 0.669 0 N-CA-C 115.52 1.674 . . . . 10.0 115.52 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 54.5 ttt85 -55.57 -34.48 64.8 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.575 1.55 . . . . 10.0 111.039 174.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -58.61 -48.6 80.45 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.753 0.821 . . . . 10.0 112.891 -179.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 -76.28 -32.6 58.88 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 121.197 -0.939 . . . . 10.0 112.135 175.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 6.4 t -61.22 -38.47 86.71 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 118.944 0.793 . . . . 10.0 110.701 174.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.56 -39.13 84.94 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.466 1.106 . . . . 10.0 110.563 173.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -61.36 -35.1 76.52 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.323 1.049 . . . . 10.0 111.753 175.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.51 -33.46 75.73 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 124.35 1.06 . . . . 10.0 111.874 174.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.3 tp -76.07 -43.1 45.19 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.822 1.649 . . . . 10.0 110.645 176.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 27.3 ttmt -49.11 -37.09 20.54 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 127.993 2.517 . . . . 10.0 114.309 178.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 52.1 p -77.68 -13.1 60.0 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 114.495 1.295 . . . . 10.0 114.495 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 94.5 mt -71.03 151.5 94.93 Favored Pre-proline 0 CA--C 1.548 0.901 0 CA-C-N 119.592 1.087 . . . . 10.0 111.446 177.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -53.67 132.18 47.83 Favored 'Trans proline' 0 C--N 1.351 0.706 0 C-N-CA 123.323 2.682 . . . . 10.0 112.993 178.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -55.27 -43.64 74.91 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.975 0.91 . . . . 10.0 112.746 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -63.59 -37.99 89.41 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.931 0.892 . . . . 10.0 112.45 178.434 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -69.36 -45.1 70.18 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 121.256 -0.902 . . . . 10.0 110.982 177.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 62.5 t -59.39 -48.77 85.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 123.858 0.863 . . . . 10.0 110.076 176.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -62.15 -39.75 93.68 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.804 0.842 . . . . 10.0 112.441 177.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.4 t -59.88 -45.67 91.75 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.017 0.927 . . . . 10.0 112.077 178.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 75.1 mt -63.46 -44.96 99.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 O-C-N 121.672 -0.643 . . . . 10.0 110.557 177.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 92.5 mt -60.13 -38.7 83.86 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.363 -0.836 . . . . 10.0 111.813 176.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.57 -10.21 33.33 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 114.799 1.407 . . . . 10.0 114.799 178.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -124.77 -12.79 7.07 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 115.061 1.504 . . . . 10.0 115.061 179.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -143.59 -13.83 0.67 Allowed 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 115.676 1.732 . . . . 10.0 115.676 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 71.89 -3.42 20.3 Favored Glycine 0 CA--C 1.539 1.589 0 N-CA-C 116.404 1.322 . . . . 10.0 116.404 178.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -151.42 163.09 39.75 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 119.172 1.486 . . . . 10.0 113.25 179.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.6 mt -138.12 136.24 44.81 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 C-N-CA 127.279 2.232 . . . . 10.0 108.821 -178.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -104.69 132.18 51.24 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.195 0.998 . . . . 10.0 108.858 174.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 90.8 mmm -131.06 153.79 48.93 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 125.848 1.659 . . . . 10.0 110.637 -176.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 19.9 p-80 -128.63 142.01 51.17 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 123.686 0.795 . . . . 10.0 112.641 179.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 87.7 m -64.22 109.03 1.73 Allowed 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 125.845 1.658 . . . . 10.0 110.9 177.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -62.05 -23.1 66.27 Favored 'General case' 0 CA--C 1.553 1.063 0 CA-C-O 122.171 0.986 . . . . 10.0 110.663 172.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -66.56 -43.46 84.99 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 129.776 3.231 . . . . 10.0 114.95 179.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 31.8 p -141.5 -14.74 0.85 Allowed 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 117.759 2.503 . . . . 10.0 117.759 -173.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 96.31 -3.05 63.63 Favored Glycine 0 CA--C 1.539 1.541 0 C-N-CA 124.728 1.156 . . . . 10.0 115.797 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -66.42 165.61 13.97 Favored 'General case' 0 CA--C 1.553 1.086 0 CA-C-N 119.372 1.586 . . . . 10.0 111.379 177.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -124.71 153.73 41.91 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.441 1.497 . . . . 10.0 112.373 -179.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -151.19 148.05 27.76 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 126.313 1.845 . . . . 10.0 108.557 177.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.4 pp -114.14 142.61 46.01 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 123.56 0.744 . . . . 10.0 110.598 178.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -129.38 138.44 51.52 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 125.46 1.504 . . . . 10.0 109.909 -177.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.6 m-80 -107.03 174.82 5.72 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.587 1.555 . . . . 10.0 111.248 -176.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.18 -37.49 67.12 Favored 'General case' 0 CA--C 1.547 0.845 0 O-C-N 120.981 -1.074 . . . . 10.0 111.961 177.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 24.6 ptp -64.9 -37.26 87.05 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.084 0.953 . . . . 10.0 112.634 174.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -65.99 -47.79 73.35 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 121.269 -0.894 . . . . 10.0 110.487 176.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.8 mp -59.96 -40.22 82.38 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 C-N-CA 123.52 0.728 . . . . 10.0 110.387 176.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.96 -37.73 80.44 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.567 0.747 . . . . 10.0 111.997 176.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -73.56 -41.05 63.44 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 121.052 -1.03 . . . . 10.0 111.36 174.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 63.7 mt . . . . . 0 N--CA 1.472 0.665 0 C-N-CA 124.04 0.936 . . . . 10.0 111.408 179.497 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.9 m . . . . . 0 N--CA 1.471 0.61 0 N-CA-C 114.14 1.163 . . . . 10.0 114.14 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 39.7 ttt180 -55.19 -39.84 70.06 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 125.951 1.701 . . . . 10.0 112.146 175.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -55.05 -45.51 75.27 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.809 1.644 . . . . 10.0 112.469 -179.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -60.24 -43.34 96.18 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.056 0.942 . . . . 10.0 112.374 178.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 12.2 t -72.71 -41.46 65.22 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-O 121.084 0.469 . . . . 10.0 111.935 176.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.35 -39.97 92.55 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.966 0.906 . . . . 10.0 111.966 178.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -57.81 -40.34 79.74 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.093 0.957 . . . . 10.0 112.335 177.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.5 -33.92 74.62 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 123.777 0.831 . . . . 10.0 112.471 176.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.4 tp -76.67 -45.34 30.11 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 125.054 1.342 . . . . 10.0 109.978 174.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.98 -32.52 54.25 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 126.859 2.064 . . . . 10.0 115.627 -178.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 37.3 p -68.81 -19.72 64.29 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 113.848 1.055 . . . . 10.0 113.848 178.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 87.9 mt -72.02 149.48 92.28 Favored Pre-proline 0 CA--C 1.549 0.93 0 C-N-CA 123.924 0.89 . . . . 10.0 110.743 176.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -54.16 136.53 68.14 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 122.913 2.409 . . . . 10.0 112.296 178.038 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -56.82 -41.38 77.72 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 112.805 0.669 . . . . 10.0 112.805 -179.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -61.57 -38.72 88.55 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.754 0.822 . . . . 10.0 112.324 177.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -67.76 -45.64 74.33 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 121.554 -0.716 . . . . 10.0 110.585 177.119 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 72.7 t -60.7 -47.87 91.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 123.983 0.913 . . . . 10.0 110.728 177.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -64.03 -34.8 78.83 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.568 0.747 . . . . 10.0 112.93 179.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 31.3 p -60.47 -35.7 76.5 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 112.964 0.728 . . . . 10.0 112.964 178.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 62.7 mt -68.71 -44.09 82.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 C-N-CA 123.5 0.72 . . . . 10.0 109.676 176.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 87.0 mt -61.83 -33.78 74.76 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 121.165 -0.96 . . . . 10.0 111.677 176.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.92 -5.71 49.59 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 124.967 1.307 . . . . 10.0 114.333 176.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -126.37 -29.82 2.93 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 114.38 1.252 . . . . 10.0 114.38 -176.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -128.19 -19.06 3.98 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.954 1.701 . . . . 10.0 113.899 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 79.26 -5.51 59.51 Favored Glycine 0 CA--C 1.537 1.415 0 N-CA-C 115.887 1.115 . . . . 10.0 115.887 178.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -154.14 161.13 42.08 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.831 1.252 . . . . 10.0 112.375 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 79.2 mt -129.79 136.85 58.11 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 C-N-CA 127.336 2.254 . . . . 10.0 109.057 -179.04 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -113.48 132.36 55.7 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.643 1.577 . . . . 10.0 109.269 177.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 22.7 mmt -136.01 149.01 48.66 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.048 1.339 . . . . 10.0 111.218 -179.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -94.96 137.64 33.75 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.107 0.963 . . . . 10.0 110.977 177.105 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 51.1 t -77.07 92.06 3.72 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 126.017 1.727 . . . . 10.0 109.288 177.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -60.76 -20.85 62.23 Favored 'General case' 0 CA--C 1.549 0.908 0 O-C-N 121.139 -0.976 . . . . 10.0 112.813 179.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -74.77 -41.23 60.43 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.771 2.028 . . . . 10.0 114.294 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.8 m -123.43 -19.07 6.01 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 115.916 1.821 . . . . 10.0 115.916 -174.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 97.26 -0.17 60.01 Favored Glycine 0 CA--C 1.541 1.707 0 C-N-CA 125.592 1.568 . . . . 10.0 114.128 -177.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -79.2 -164.96 0.69 Allowed 'General case' 0 CA--C 1.558 1.254 0 C-N-CA 126.825 2.05 . . . . 10.0 112.86 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -133.82 163.71 28.87 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 127.419 2.288 . . . . 10.0 111.065 177.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -147.06 142.89 27.91 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 126.849 2.06 . . . . 10.0 107.795 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 91.1 mt -114.63 141.76 47.36 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.169 0.988 . . . . 10.0 110.05 177.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -135.4 141.76 45.54 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.257 1.023 . . . . 10.0 112.002 -178.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -126.6 172.83 9.93 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 126.488 1.915 . . . . 10.0 109.796 176.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.21 -40.1 70.41 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.622 1.169 . . . . 10.0 113.222 179.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 5.0 ppp? -65.84 -37.35 85.97 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 118.978 0.808 . . . . 10.0 112.651 177.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -72.21 -46.88 54.38 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.334 1.054 . . . . 10.0 110.769 177.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 65.7 mt -60.4 -33.14 53.02 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 C-N-CA 126.322 1.849 . . . . 10.0 111.696 178.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.83 -34.48 67.79 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 118.634 0.652 . . . . 10.0 111.894 174.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 65.5 mt-10 -73.83 -44.41 55.76 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 121.391 -0.818 . . . . 10.0 110.526 174.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 96.4 mt . . . . . 0 N--CA 1.478 0.966 0 C-N-CA 125.064 1.345 . . . . 10.0 111.438 178.251 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.0 m . . . . . 0 N--CA 1.48 1.031 0 N-CA-C 113.834 1.05 . . . . 10.0 113.834 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 58.7 ttt85 -54.83 -33.28 61.46 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 126.341 1.856 . . . . 10.0 113.072 178.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -56.26 -38.23 70.86 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.863 1.265 . . . . 10.0 112.526 -179.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 64.0 mtp85 -68.13 -41.27 81.92 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 121.684 -0.635 . . . . 10.0 111.421 176.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 8.2 t -66.53 -39.94 88.86 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.439 0.696 . . . . 10.0 111.202 176.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.16 -44.29 95.92 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.794 1.238 . . . . 10.0 110.913 176.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -59.55 -41.57 90.4 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.878 0.871 . . . . 10.0 111.621 176.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.68 -34.23 77.73 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 112.821 0.675 . . . . 10.0 112.821 176.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 19.4 tp -77.94 -46.24 21.73 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.748 1.219 . . . . 10.0 112.099 177.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.9 pttp -65.67 -24.54 67.03 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 114.876 1.435 . . . . 10.0 114.876 -177.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.5 p -78.32 -11.91 59.97 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.004 0.922 . . . . 10.0 113.299 178.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 91.9 mt -73.58 158.95 85.68 Favored Pre-proline 0 CA--C 1.55 0.946 0 C-N-CA 124.533 1.133 . . . . 10.0 110.286 173.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -52.09 123.92 13.61 Favored 'Trans proline' 0 CA--C 1.538 0.702 0 C-N-CA 123.14 2.56 . . . . 10.0 111.709 176.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -55.45 -40.56 71.72 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 113.194 0.813 . . . . 10.0 113.194 -177.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -62.35 -35.91 80.58 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.936 0.894 . . . . 10.0 112.77 177.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -68.41 -41.54 80.28 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 121.211 -0.931 . . . . 10.0 110.628 177.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 96.1 t -64.26 -47.97 87.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 124.19 0.996 . . . . 10.0 109.722 175.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -61.34 -35.53 77.66 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.231 1.012 . . . . 10.0 113.035 178.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 74.1 m -59.88 -39.7 86.17 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.609 0.764 . . . . 10.0 112.31 178.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 53.9 mt -68.75 -44.81 81.92 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 CA-C-N 118.521 0.6 . . . . 10.0 109.783 176.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 98.4 mt -59.53 -37.69 79.04 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.472 -0.767 . . . . 10.0 111.947 177.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.16 -8.71 48.09 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 124.897 1.279 . . . . 10.0 114.421 177.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -125.28 -20.67 4.77 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 114.68 1.363 . . . . 10.0 114.68 -179.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -138.68 -13.87 1.26 Allowed 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 115.174 1.546 . . . . 10.0 115.174 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 75.65 -7.54 25.67 Favored Glycine 0 CA--C 1.539 1.544 0 N-CA-C 116.411 1.324 . . . . 10.0 116.411 178.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -151.44 160.74 43.58 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 119.109 1.454 . . . . 10.0 113.811 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 66.6 mt -138.65 125.73 26.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 C-N-CA 127.128 2.171 . . . . 10.0 109.681 -177.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -92.94 115.92 28.57 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 107.671 -1.233 . . . . 10.0 107.671 173.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 16.9 tpt -107.42 144.6 34.1 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.588 1.155 . . . . 10.0 111.673 -176.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 31.7 t-80 -94.82 132.67 39.37 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.732 1.213 . . . . 10.0 111.896 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 8.9 t -80.9 75.09 7.86 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 126.087 1.755 . . . . 10.0 109.098 176.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -52.57 -21.12 3.52 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 114.623 1.342 . . . . 10.0 114.623 -177.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -66.14 -36.25 82.64 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.943 1.697 . . . . 10.0 114.513 177.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 26.5 p -137.84 -20.93 1.13 Allowed 'General case' 0 CA--C 1.55 0.947 0 N-CA-C 116.847 2.165 . . . . 10.0 116.847 -179.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.82 -4.03 16.94 Favored Glycine 0 CA--C 1.536 1.355 0 CA-C-N 120.176 1.353 . . . . 10.0 116.285 175.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -75.03 -174.09 2.15 Favored 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 124.517 1.127 . . . . 10.0 111.751 178.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 3.8 p80 -143.64 160.91 39.84 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 120.355 -1.466 . . . . 10.0 111.105 176.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -148.99 136.24 20.1 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 125.356 1.463 . . . . 10.0 108.531 -179.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 62.2 tp -95.8 140.94 29.86 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.72 0.808 . . . . 10.0 109.837 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -132.95 141.97 48.62 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 125.864 1.666 . . . . 10.0 109.647 -179.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 25.8 p30 -121.94 174.17 7.06 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.31 1.044 . . . . 10.0 111.513 177.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.52 -38.5 69.32 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 113.691 0.997 . . . . 10.0 113.691 -179.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 21.1 mmt -70.36 -39.51 74.59 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.322 0.649 . . . . 10.0 112.112 179.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -71.88 -42.26 67.03 Favored 'General case' 0 N--CA 1.469 0.502 0 O-C-N 121.517 -0.739 . . . . 10.0 111.589 178.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 71.4 mt -64.48 -33.81 65.4 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 C-N-CA 124.508 1.123 . . . . 10.0 110.517 176.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.09 -35.03 77.44 Favored 'General case' 0 CA--C 1.544 0.748 0 O-C-N 121.658 -0.651 . . . . 10.0 111.933 175.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -73.57 -40.78 63.66 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 121.5 -0.75 . . . . 10.0 110.693 174.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 74.8 mt . . . . . 0 N--CA 1.477 0.911 0 O-C-N 120.764 -1.21 . . . . 10.0 109.932 176.271 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 N--CA 1.473 0.69 0 N-CA-C 116.812 2.153 . . . . 10.0 116.812 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.53 -32.55 72.6 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 127.101 2.161 . . . . 10.0 111.229 173.202 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -59.92 -38.32 82.0 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.201 1.0 . . . . 10.0 112.349 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 85.6 mtt-85 -64.23 -45.56 87.66 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.383 0.673 . . . . 10.0 111.478 178.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 21.4 t -66.48 -40.44 89.31 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 122.833 0.453 . . . . 10.0 112.09 175.186 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.15 -40.92 95.65 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.476 0.71 . . . . 10.0 111.126 178.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -61.0 -38.83 87.45 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.453 -0.779 . . . . 10.0 112.041 175.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.24 -34.09 77.54 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 123.519 0.728 . . . . 10.0 112.187 176.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.2 tp -72.46 -40.21 67.18 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.259 1.424 . . . . 10.0 109.719 174.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.4 ttpp -55.99 -17.22 6.21 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 126.917 2.087 . . . . 10.0 116.214 178.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 76.9 p -110.64 -2.82 16.18 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.748 1.219 . . . . 10.0 114.144 -177.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 90.1 mt -64.07 147.83 96.07 Favored Pre-proline 0 CA--C 1.549 0.926 0 CA-C-O 118.216 -0.897 . . . . 10.0 110.679 175.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -51.24 127.57 22.48 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 123.256 2.638 . . . . 10.0 112.284 179.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -59.74 -37.41 78.89 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 113.327 0.862 . . . . 10.0 113.327 -177.102 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -66.64 -38.77 87.6 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.605 0.762 . . . . 10.0 111.763 176.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -66.58 -45.85 77.9 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.325 -0.859 . . . . 10.0 110.388 176.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 47.0 t -59.23 -45.34 93.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 123.898 0.879 . . . . 10.0 110.322 175.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -60.01 -42.55 94.55 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.419 0.688 . . . . 10.0 112.202 177.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 42.5 m -61.04 -43.26 99.15 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 118.835 0.743 . . . . 10.0 111.911 176.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 79.5 mt -63.48 -46.9 93.91 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 CA-C-N 118.743 0.701 . . . . 10.0 110.075 176.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 63.4 mt -61.17 -33.36 73.31 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 121.176 -0.953 . . . . 10.0 112.746 177.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -74.68 -10.14 59.24 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 114.634 1.346 . . . . 10.0 114.634 177.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -126.51 -25.09 3.49 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 114.821 1.415 . . . . 10.0 114.821 -178.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -129.41 -23.92 2.87 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.286 1.435 . . . . 10.0 113.793 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 68.47 4.98 41.1 Favored Glycine 0 CA--C 1.539 1.564 0 N-CA-C 116.038 1.175 . . . . 10.0 116.038 178.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -151.09 161.6 42.43 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 126.263 1.825 . . . . 10.0 110.211 -179.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 97.2 mt -129.07 136.5 59.49 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 C-N-CA 125.532 1.533 . . . . 10.0 110.599 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -102.63 127.77 49.59 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.885 1.674 . . . . 10.0 106.949 171.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 9.9 tpt -129.16 143.43 50.85 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 124.161 0.984 . . . . 10.0 110.967 -176.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -94.35 139.88 30.52 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.174 0.99 . . . . 10.0 112.156 -177.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 13.3 t -85.04 84.06 7.84 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 126.069 1.748 . . . . 10.0 110.112 177.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -59.74 -13.83 11.81 Favored 'General case' 0 CA--C 1.551 0.992 0 O-C-N 120.947 -1.096 . . . . 10.0 113.937 179.274 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -70.91 -37.82 72.96 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.927 1.691 . . . . 10.0 113.908 177.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 22.3 p -144.89 -8.79 0.62 Allowed 'General case' 0 CA--C 1.553 1.074 0 N-CA-C 117.124 2.268 . . . . 10.0 117.124 -178.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 108.62 -3.0 32.34 Favored Glycine 0 CA--C 1.537 1.442 0 N-CA-C 116.362 1.305 . . . . 10.0 116.362 175.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -77.09 -168.32 1.06 Allowed 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 125.132 1.373 . . . . 10.0 112.965 178.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -141.07 164.11 31.17 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 126.486 1.914 . . . . 10.0 112.354 -177.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -145.21 146.57 31.78 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 125.835 1.654 . . . . 10.0 108.279 178.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 92.5 mt -114.41 140.15 48.92 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.071 0.548 . . . . 10.0 109.567 176.26 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -135.8 127.46 28.99 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.633 1.173 . . . . 10.0 110.326 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -88.55 170.09 11.17 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.642 0.777 . . . . 10.0 110.786 178.336 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.74 -42.73 68.48 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.188 -0.945 . . . . 10.0 113.395 -178.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.7 -36.95 81.59 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 112.679 0.622 . . . . 10.0 112.679 176.513 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -68.09 -45.5 73.58 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.116 0.966 . . . . 10.0 110.313 178.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 57.0 mt -59.3 -41.14 83.22 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 C-N-CA 125.353 1.461 . . . . 10.0 109.931 175.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.28 -45.95 90.99 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 112.889 0.7 . . . . 10.0 112.889 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -70.05 -36.46 75.02 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 119.676 1.125 . . . . 10.0 111.598 177.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 54.3 mt . . . . . 0 N--CA 1.469 0.488 0 O-C-N 121.485 -0.76 . . . . 10.0 110.519 176.192 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 24.9 m . . . . . 0 N--CA 1.472 0.659 0 N-CA-C 115.481 1.66 . . . . 10.0 115.481 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.3 ttp180 -54.93 -30.21 58.07 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.502 1.521 . . . . 10.0 114.165 -177.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -55.03 -39.83 69.56 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.552 1.141 . . . . 10.0 113.295 -178.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.3 mmm180 -70.35 -37.11 74.58 Favored 'General case' 0 N--CA 1.478 0.972 0 O-C-N 121.117 -0.989 . . . . 10.0 112.147 175.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 7.1 t -67.43 -38.06 83.98 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 123.961 0.904 . . . . 10.0 111.329 176.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.06 -47.32 85.21 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.355 1.462 . . . . 10.0 111.088 176.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -60.59 -35.8 77.0 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.075 0.95 . . . . 10.0 111.87 177.031 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.71 -33.82 69.07 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 113.056 0.762 . . . . 10.0 113.056 176.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.4 tp -76.43 -46.05 28.8 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.525 1.13 . . . . 10.0 111.83 178.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.64 -22.28 66.93 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 115.724 1.749 . . . . 10.0 115.724 -176.443 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.6 p -77.6 -12.25 59.95 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 113.594 0.961 . . . . 10.0 113.594 177.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 91.0 mt -65.95 156.38 84.06 Favored Pre-proline 0 CA--C 1.552 1.035 0 CA-C-N 119.235 0.925 . . . . 10.0 111.201 176.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -49.44 132.4 29.55 Favored 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 123.755 2.97 . . . . 10.0 114.083 -179.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -54.99 -44.83 74.83 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.378 1.071 . . . . 10.0 113.211 -178.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -66.41 -39.45 88.98 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.617 0.767 . . . . 10.0 112.169 178.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -64.36 -45.12 89.17 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 121.557 -0.714 . . . . 10.0 111.062 177.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 53.7 t -62.97 -47.79 91.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 123.854 0.862 . . . . 10.0 110.448 176.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -57.62 -40.56 79.45 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.025 0.93 . . . . 10.0 113.335 179.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 41.8 m -59.55 -41.5 90.25 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 118.879 0.763 . . . . 10.0 112.873 179.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.9 mm -67.85 -44.53 85.33 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 CA-C-N 119.147 0.885 . . . . 10.0 110.561 177.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 83.6 mt -63.33 -30.7 71.79 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 121.282 -0.886 . . . . 10.0 112.586 178.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.58 -9.29 58.45 Favored 'General case' 0 CA--C 1.55 0.965 0 N-CA-C 114.439 1.274 . . . . 10.0 114.439 176.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -127.58 -26.94 2.92 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 114.794 1.405 . . . . 10.0 114.794 -178.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -129.1 -23.2 3.05 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.368 1.467 . . . . 10.0 113.824 -179.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 75.13 2.06 65.27 Favored Glycine 0 CA--C 1.538 1.481 0 N-CA-C 116.031 1.173 . . . . 10.0 116.031 178.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -151.08 154.53 37.15 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 118.753 1.276 . . . . 10.0 113.928 -179.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 65.1 mt -138.09 136.21 44.89 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 C-N-CA 126.632 1.973 . . . . 10.0 109.054 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -105.82 137.67 43.3 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.022 1.329 . . . . 10.0 108.732 175.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 14.7 tpt -132.67 151.04 52.07 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.288 1.035 . . . . 10.0 111.3 -177.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 22.3 t60 -95.06 133.62 38.65 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.087 1.355 . . . . 10.0 113.605 -176.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 48.1 t -83.4 76.76 9.89 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 126.298 1.839 . . . . 10.0 108.445 172.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -62.22 -16.83 55.91 Favored 'General case' 0 CA--C 1.549 0.915 0 O-C-N 121.257 -0.902 . . . . 10.0 112.489 178.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -64.29 -39.83 94.73 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 127.184 2.194 . . . . 10.0 113.1 176.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 34.1 m -124.23 -35.95 2.73 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 115.138 1.532 . . . . 10.0 115.138 -175.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 110.22 46.69 0.86 Allowed Glycine 0 CA--C 1.535 1.289 0 C-N-CA 124.278 0.942 . . . . 10.0 112.467 -178.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -136.88 -172.0 3.07 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 126.053 1.741 . . . . 10.0 110.735 -176.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.4 p80 -144.98 162.58 36.55 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 120.674 -1.266 . . . . 10.0 110.754 176.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -147.82 142.81 26.97 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 124.948 1.299 . . . . 10.0 108.927 -178.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 57.9 tp -105.96 142.1 36.24 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.719 1.208 . . . . 10.0 110.417 -177.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -135.87 150.44 49.37 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.266 1.427 . . . . 10.0 111.214 -178.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -121.16 174.04 6.93 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.955 1.302 . . . . 10.0 109.882 177.012 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.41 -38.79 69.39 Favored 'General case' 0 CA--C 1.545 0.756 0 O-C-N 121.679 -0.638 . . . . 10.0 112.634 179.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -65.73 -40.32 92.04 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.66 1.184 . . . . 10.0 112.096 178.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -67.81 -47.91 67.75 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.662 0.785 . . . . 10.0 110.302 177.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 69.0 mt -59.75 -39.5 79.96 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 C-N-CA 125.277 1.431 . . . . 10.0 110.911 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.81 -40.06 87.15 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.281 0.633 . . . . 10.0 112.373 176.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -73.38 -41.92 62.8 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 121.442 -0.786 . . . . 10.0 111.099 176.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 57.0 mt . . . . . 0 N--CA 1.475 0.823 0 C-N-CA 124.291 1.036 . . . . 10.0 110.645 177.787 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 46.9 t . . . . . 0 N--CA 1.471 0.586 0 N-CA-C 113.63 0.974 . . . . 10.0 113.63 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 41.9 ttt-85 -55.5 -30.95 61.58 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.877 1.671 . . . . 10.0 111.476 172.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -57.54 -35.97 71.0 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.369 1.468 . . . . 10.0 112.741 177.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.5 mmt180 -67.87 -45.28 74.95 Favored 'General case' 0 N--CA 1.477 0.877 0 O-C-N 121.336 -0.852 . . . . 10.0 110.813 176.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 20.4 t -62.32 -39.59 93.54 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.189 0.996 . . . . 10.0 111.59 174.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.84 -42.73 99.4 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.469 1.108 . . . . 10.0 111.368 176.059 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -64.54 -36.16 83.32 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.484 -0.76 . . . . 10.0 111.319 175.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.69 -40.12 88.39 Favored 'General case' 0 CA--C 1.546 0.803 0 O-C-N 121.695 -0.628 . . . . 10.0 111.448 175.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.8 tp -61.3 -43.85 98.18 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.554 1.541 . . . . 10.0 110.128 175.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.0 tmtm? -52.52 -22.0 4.4 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.996 1.718 . . . . 10.0 115.375 177.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 46.6 p -66.19 -23.37 66.44 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 113.292 0.849 . . . . 10.0 113.292 177.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 81.0 mt -71.4 148.27 93.29 Favored Pre-proline 0 CA--C 1.551 0.983 0 C-N-CA 124.332 1.053 . . . . 10.0 111.574 178.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -55.31 140.58 81.9 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 123.454 2.769 . . . . 10.0 113.218 178.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -55.69 -44.92 77.81 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.616 0.766 . . . . 10.0 112.996 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -66.28 -36.2 82.35 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.627 0.771 . . . . 10.0 112.244 178.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -69.4 -46.19 67.46 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.611 -0.681 . . . . 10.0 110.704 177.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 50.4 t -58.78 -48.54 85.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 124.48 1.112 . . . . 10.0 110.213 176.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -62.14 -35.44 78.77 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.636 0.774 . . . . 10.0 112.529 178.101 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 73.4 m -61.77 -39.16 90.69 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.519 0.728 . . . . 10.0 112.875 178.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.1 mm -67.97 -42.39 85.44 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 CA-C-N 119.401 1.001 . . . . 10.0 110.411 177.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 96.9 mt -61.21 -37.92 84.74 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 121.411 -0.805 . . . . 10.0 111.473 176.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.88 -9.24 50.53 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 124.818 1.247 . . . . 10.0 114.252 176.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -121.78 -28.12 4.56 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.718 1.207 . . . . 10.0 114.129 -175.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -137.98 -12.65 1.46 Allowed 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 114.95 1.463 . . . . 10.0 114.95 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.55 -3.93 52.67 Favored Glycine 0 CA--C 1.537 1.465 0 N-CA-C 116.133 1.213 . . . . 10.0 116.133 178.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -150.71 160.43 43.85 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 118.973 1.387 . . . . 10.0 113.137 -179.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 58.2 mt -135.62 136.59 50.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 C-N-CA 126.23 1.812 . . . . 10.0 110.381 -176.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -99.98 127.5 46.18 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.058 1.343 . . . . 10.0 109.851 175.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 12.9 tpt -137.44 157.11 47.28 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.88 1.272 . . . . 10.0 111.458 178.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 21.2 p-80 -117.51 141.89 47.82 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.09 1.356 . . . . 10.0 111.672 178.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 51.9 t -58.46 128.09 35.44 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.019 1.328 . . . . 10.0 111.453 179.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -67.48 -15.07 63.47 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 123.636 0.774 . . . . 10.0 113.069 178.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -102.36 -38.89 7.42 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.781 1.633 . . . . 10.0 113.57 -177.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 19.6 m -115.56 -16.35 11.34 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 116.003 1.853 . . . . 10.0 116.003 -174.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 75.8 -4.9 42.44 Favored Glycine 0 CA--C 1.541 1.712 0 C-N-CA 124.13 0.871 . . . . 10.0 114.285 -175.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -64.25 133.31 52.53 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.298 1.439 . . . . 10.0 111.387 178.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 11.2 p-80 -84.44 150.07 25.55 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.761 1.023 . . . . 10.0 113.761 179.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -145.18 157.82 43.98 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 127.614 2.366 . . . . 10.0 107.939 177.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.445 ' H ' HD23 ' A' ' 48' ' ' LEU . 1.9 pt? -114.47 142.26 46.62 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.093 0.957 . . . . 10.0 109.974 176.479 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -128.51 145.47 51.11 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 125.021 1.328 . . . . 10.0 110.744 -177.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 -113.75 171.49 7.55 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.416 1.486 . . . . 10.0 111.459 -175.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.27 -36.3 65.94 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 121.111 -0.993 . . . . 10.0 112.476 177.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 26.0 mmt -65.81 -37.57 86.62 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.149 0.979 . . . . 10.0 112.161 175.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -67.3 -48.15 68.47 Favored 'General case' 0 CA--C 1.534 0.362 0 O-C-N 121.456 -0.777 . . . . 10.0 110.654 177.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.8 mp -59.9 -41.2 85.1 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.481 0 C-N-CA 123.553 0.741 . . . . 10.0 110.272 177.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.06 -39.9 87.62 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.207 0.603 . . . . 10.0 112.159 177.028 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -72.07 -42.7 65.91 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.528 -0.733 . . . . 10.0 111.287 176.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 64.3 mt . . . . . 0 N--CA 1.476 0.852 0 C-N-CA 124.361 1.064 . . . . 10.0 110.964 178.15 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.7 t . . . . . 0 C--O 1.237 0.411 0 N-CA-C 109.687 -0.486 . . . . 10.0 109.687 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.9 ttt180 -56.64 -33.46 66.35 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 124.007 0.923 . . . . 10.0 111.401 174.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -61.09 -36.72 80.42 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.809 1.643 . . . . 10.0 113.421 178.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.0 mtt85 -69.71 -46.4 66.07 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.743 0.817 . . . . 10.0 110.879 178.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 73.1 m -63.19 -38.53 91.54 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.384 1.474 . . . . 10.0 112.784 174.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.88 -41.4 97.83 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.702 0.801 . . . . 10.0 111.564 178.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -63.01 -40.42 97.71 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.274 0.63 . . . . 10.0 111.314 175.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.07 -33.67 76.3 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 124.193 0.997 . . . . 10.0 112.42 175.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.8 tp -71.74 -42.98 66.61 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.94 1.296 . . . . 10.0 109.919 175.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.51 -34.31 57.67 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 115.301 1.593 . . . . 10.0 115.301 -179.733 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 75.4 p -72.91 -12.83 61.11 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 114.484 1.29 . . . . 10.0 114.484 -178.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 83.9 mt -71.09 155.7 92.9 Favored Pre-proline 0 CA--C 1.55 0.955 0 CA-C-N 119.236 0.925 . . . . 10.0 111.41 175.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -56.52 123.91 14.97 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 122.932 2.421 . . . . 10.0 111.049 176.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -59.12 -34.45 72.05 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 113.022 0.749 . . . . 10.0 113.022 -178.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -67.18 -38.32 85.19 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.184 0.994 . . . . 10.0 112.149 174.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -69.56 -41.82 75.38 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.096 0.958 . . . . 10.0 111.103 177.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 47.9 t -59.74 -42.28 88.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 124.468 1.107 . . . . 10.0 110.692 176.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -64.35 -34.12 77.42 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 112.673 0.619 . . . . 10.0 112.673 176.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 71.0 m -61.44 -35.3 77.18 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.37 -0.831 . . . . 10.0 112.321 177.013 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.6 mm -64.68 -36.15 76.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 CA-C-N 119.097 0.862 . . . . 10.0 111.011 177.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 38.9 mt -63.99 -30.13 71.24 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.011 -1.056 . . . . 10.0 112.305 176.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.75 -5.11 57.86 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 124.946 1.298 . . . . 10.0 113.763 176.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -123.83 -27.59 3.93 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 114.789 1.403 . . . . 10.0 114.789 -178.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -141.15 -26.35 0.71 Allowed 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 114.464 1.283 . . . . 10.0 114.464 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 84.31 1.59 89.39 Favored Glycine 0 CA--C 1.538 1.496 0 N-CA-C 115.932 1.133 . . . . 10.0 115.932 177.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -160.23 165.58 31.21 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.11 1.364 . . . . 10.0 112.035 -179.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 93.7 mt -130.6 134.62 61.84 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 125.237 1.415 . . . . 10.0 110.356 179.065 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -95.87 100.16 11.88 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.2 1.8 . . . . 10.0 108.175 175.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 3.1 mmt -91.37 153.07 20.15 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 124.958 1.303 . . . . 10.0 112.843 -177.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 73.4 m80 -121.13 125.44 47.22 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.512 1.525 . . . . 10.0 109.343 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 53.9 t -51.1 119.54 4.09 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.137 1.775 . . . . 10.0 111.871 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -63.69 -15.69 59.1 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 123.395 0.678 . . . . 10.0 112.735 178.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -92.04 -38.58 12.13 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.932 1.693 . . . . 10.0 113.893 -178.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.9 p -141.19 -10.43 0.97 Allowed 'General case' 0 CA--C 1.553 1.072 0 N-CA-C 117.925 2.565 . . . . 10.0 117.925 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 97.44 -6.44 63.21 Favored Glycine 0 CA--C 1.539 1.588 0 C-N-CA 125.193 1.377 . . . . 10.0 116.077 179.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -53.28 145.93 13.01 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 125.68 1.592 . . . . 10.0 113.194 179.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 71.7 m-70 -82.74 142.76 31.37 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 114.368 1.247 . . . . 10.0 114.368 -177.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -149.68 131.89 15.46 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 127.006 2.122 . . . . 10.0 107.771 174.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.409 ' H ' HD23 ' A' ' 48' ' ' LEU . 1.8 pt? -102.65 143.06 32.8 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.876 0.871 . . . . 10.0 112.656 -178.089 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -130.58 126.07 35.79 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.036 1.334 . . . . 10.0 110.043 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 -91.07 172.53 8.5 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.435 1.094 . . . . 10.0 111.28 -178.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.31 -39.55 70.06 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.237 -0.915 . . . . 10.0 112.08 177.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -65.28 -38.1 89.24 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.134 1.374 . . . . 10.0 112.239 177.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -71.99 -48.01 47.96 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.077 0.951 . . . . 10.0 110.954 177.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 69.6 mt -60.93 -39.13 81.04 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.134 0 C-N-CA 125.894 1.677 . . . . 10.0 110.863 -179.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.62 -41.08 72.99 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 119.001 0.819 . . . . 10.0 112.811 178.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -74.02 -46.95 40.32 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.517 -0.74 . . . . 10.0 111.217 176.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 93.5 mt . . . . . 0 N--CA 1.476 0.858 0 C-N-CA 124.424 1.09 . . . . 10.0 111.411 179.139 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 88.5 p . . . . . 0 C--O 1.238 0.453 0 CA-C-O 121.147 0.499 . . . . 10.0 111.168 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 66.3 mtp85 -57.35 -35.28 69.73 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.106 0.562 . . . . 10.0 111.405 174.167 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -60.83 -43.86 97.69 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.3 1.04 . . . . 10.0 112.822 179.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 62.9 mtt180 -60.87 -46.03 92.21 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 121.728 -0.608 . . . . 10.0 111.8 178.009 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.7 t -72.6 -33.19 66.53 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 112.848 0.685 . . . . 10.0 112.848 178.044 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.66 96.06 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.523 0.729 . . . . 10.0 110.51 175.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -63.04 -34.52 77.76 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 121.548 -0.72 . . . . 10.0 111.763 175.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.58 -33.82 74.73 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 123.663 0.785 . . . . 10.0 111.884 174.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 15.4 tp -74.51 -40.89 61.5 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.46 1.504 . . . . 10.0 110.824 177.072 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -49.55 -35.16 19.48 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 128.13 2.572 . . . . 10.0 114.768 178.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 77.6 p -78.44 -13.83 59.65 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 114.556 1.317 . . . . 10.0 114.556 -179.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 71.4 mt -70.23 153.19 95.4 Favored Pre-proline 0 CA--C 1.55 0.958 0 CA-C-N 119.576 1.08 . . . . 10.0 111.644 178.277 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -53.4 125.12 17.45 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 123.518 2.812 . . . . 10.0 112.863 179.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -60.01 -35.78 75.79 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 113.326 0.861 . . . . 10.0 113.326 -178.633 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -64.38 -39.54 94.06 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.707 0.803 . . . . 10.0 111.509 176.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -69.53 -41.85 75.42 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.88 0.872 . . . . 10.0 110.41 176.261 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 24.6 t -57.79 -48.51 83.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 124.008 0.923 . . . . 10.0 109.66 175.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.4 -37.57 87.98 Favored 'General case' 0 CA--C 1.539 0.537 0 O-C-N 121.669 -0.645 . . . . 10.0 112.495 177.574 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 68.5 m -63.0 -45.18 93.61 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.656 0.782 . . . . 10.0 111.847 178.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 74.6 mt -64.72 -44.12 96.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 CA-C-N 118.692 0.678 . . . . 10.0 109.975 176.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 49.7 mt -59.22 -38.94 81.2 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 121.288 -0.883 . . . . 10.0 111.984 176.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.95 -8.39 36.67 Favored 'General case' 0 CA--C 1.55 0.969 0 N-CA-C 114.364 1.246 . . . . 10.0 114.364 177.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -121.6 -20.98 6.34 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 114.362 1.245 . . . . 10.0 114.362 -179.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -140.19 -11.6 1.09 Allowed 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 115.718 1.747 . . . . 10.0 115.718 -178.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.71 -1.47 37.69 Favored Glycine 0 CA--C 1.54 1.613 0 N-CA-C 116.141 1.216 . . . . 10.0 116.141 179.135 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -154.91 161.79 41.31 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.029 1.332 . . . . 10.0 112.426 179.501 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 61.0 mt -134.44 136.42 52.86 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 C-N-CA 125.913 1.685 . . . . 10.0 109.604 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -103.6 132.06 50.19 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.646 1.178 . . . . 10.0 108.678 174.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 13.9 tpt -127.41 152.94 46.87 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 124.902 1.281 . . . . 10.0 111.333 -178.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 50.4 t60 -93.94 134.71 36.03 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.989 1.316 . . . . 10.0 112.833 -176.169 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 13.3 t -79.19 76.21 5.72 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 127.122 2.169 . . . . 10.0 109.409 176.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -57.24 -15.35 5.78 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 113.767 1.025 . . . . 10.0 113.767 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 67.5 m-85 -62.33 -36.78 83.27 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.092 1.757 . . . . 10.0 113.165 175.112 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 22.6 p -149.78 -18.06 0.26 Allowed 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 117.486 2.402 . . . . 10.0 117.486 -177.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 128.73 -12.71 6.19 Favored Glycine 0 CA--C 1.536 1.365 0 CA-C-N 120.564 1.529 . . . . 10.0 116.6 176.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -70.39 -168.98 0.27 Allowed 'General case' 0 CA--C 1.558 1.285 0 C-N-CA 125.477 1.511 . . . . 10.0 113.129 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 7.4 p80 -151.37 161.71 42.21 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 126.071 1.748 . . . . 10.0 110.69 175.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -148.36 149.0 31.0 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 125.52 1.528 . . . . 10.0 108.644 -179.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.7 pp -113.22 144.75 42.17 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.65 0.78 . . . . 10.0 112.276 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -134.49 126.94 30.44 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 125.739 1.615 . . . . 10.0 111.725 -174.279 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 59.5 m-20 -88.14 171.33 10.32 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.906 0.883 . . . . 10.0 110.809 178.226 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.33 -37.21 67.13 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 123.545 0.738 . . . . 10.0 112.9 178.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 2.4 mpt? -65.11 -38.24 90.03 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.707 1.203 . . . . 10.0 112.472 178.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -72.15 -44.11 63.59 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.992 0.917 . . . . 10.0 110.072 176.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 51.4 mt -60.2 -33.48 53.67 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 C-N-CA 125.086 1.354 . . . . 10.0 111.417 176.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.35 -35.93 74.78 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.692 -0.63 . . . . 10.0 111.596 174.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -72.82 -39.38 66.66 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.781 1.173 . . . . 10.0 110.772 176.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 97.0 mt . . . . . 0 CA--C 1.545 0.752 0 O-C-N 121.387 -0.821 . . . . 10.0 110.151 175.141 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.9 m . . . . . 0 CA--C 1.539 0.519 0 N-CA-C 106.928 -1.508 . . . . 10.0 106.928 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.6 ttp85 -55.03 -35.18 64.19 Favored 'General case' 0 N--CA 1.48 1.043 0 O-C-N 121.183 -0.948 . . . . 10.0 112.255 179.245 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -58.58 -39.52 80.57 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.401 1.481 . . . . 10.0 113.593 176.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.4 mmm-85 -67.53 -45.33 76.04 Favored 'General case' 0 N--CA 1.481 1.106 0 O-C-N 121.226 -0.921 . . . . 10.0 110.822 177.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 17.8 t -62.54 -38.06 88.56 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.631 0.772 . . . . 10.0 111.687 173.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.76 -41.37 97.6 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.083 0.953 . . . . 10.0 110.972 177.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -59.58 -34.72 73.07 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.966 0.906 . . . . 10.0 112.401 177.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.29 -33.76 73.68 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 123.571 0.748 . . . . 10.0 112.319 175.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.3 tp -76.01 -44.65 38.44 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.438 1.495 . . . . 10.0 110.581 176.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -47.7 -39.54 17.74 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 128.404 2.681 . . . . 10.0 114.497 179.182 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 59.9 p -81.96 -9.88 59.43 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 115.085 1.513 . . . . 10.0 115.085 -178.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 95.4 mt -66.32 155.27 88.51 Favored Pre-proline 0 CA--C 1.548 0.875 0 CA-C-N 119.556 1.071 . . . . 10.0 111.29 177.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -53.56 119.21 5.83 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 123.254 2.636 . . . . 10.0 111.403 178.181 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -58.31 -35.28 71.62 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 113.406 0.891 . . . . 10.0 113.406 -176.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -63.77 -39.42 94.22 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.723 0.809 . . . . 10.0 111.466 176.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -69.58 -45.29 68.99 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.53 -0.731 . . . . 10.0 110.936 176.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 62.6 t -58.29 -48.79 83.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 123.832 0.853 . . . . 10.0 110.134 177.095 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -61.26 -38.68 87.59 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.94 0.896 . . . . 10.0 112.074 176.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 66.2 m -61.83 -43.67 98.38 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.211 0.604 . . . . 10.0 111.938 177.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 75.1 mt -64.35 -46.96 91.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 CA-C-N 118.757 0.708 . . . . 10.0 109.959 176.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 97.1 mt -60.08 -37.85 81.14 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.577 -0.702 . . . . 10.0 112.248 178.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.63 -9.28 41.7 Favored 'General case' 0 CA--C 1.55 0.969 0 N-CA-C 114.273 1.212 . . . . 10.0 114.273 176.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -122.45 -15.77 7.5 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 114.391 1.256 . . . . 10.0 114.391 -179.202 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -142.16 -13.17 0.82 Allowed 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 115.576 1.695 . . . . 10.0 115.576 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 73.2 -8.14 9.46 Favored Glycine 0 CA--C 1.539 1.538 0 N-CA-C 116.254 1.262 . . . . 10.0 116.254 179.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -152.15 164.15 37.9 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 118.924 1.362 . . . . 10.0 113.324 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 70.1 mt -135.93 135.93 50.21 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 C-N-CA 126.937 2.095 . . . . 10.0 109.775 -177.369 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -97.84 124.22 42.14 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.917 1.687 . . . . 10.0 107.54 174.051 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 15.1 tpt -131.71 153.18 50.29 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.067 0.947 . . . . 10.0 111.787 -175.072 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 67.7 m-70 -119.65 140.36 50.75 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.429 1.092 . . . . 10.0 111.556 179.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 40.5 t -53.94 118.86 4.33 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.474 1.91 . . . . 10.0 110.653 177.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -66.95 -9.14 35.29 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 113.095 0.776 . . . . 10.0 113.095 179.274 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -99.6 -42.73 6.77 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.913 1.685 . . . . 10.0 114.01 -177.254 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.6 p -132.3 -9.98 3.3 Favored 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 116.64 2.089 . . . . 10.0 116.64 179.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 94.42 -2.12 67.5 Favored Glycine 0 CA--C 1.536 1.393 0 N-CA-C 116.914 1.526 . . . . 10.0 116.914 176.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -58.32 138.82 56.15 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 120.152 1.976 . . . . 10.0 112.118 178.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -82.68 150.91 26.49 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.155 0.982 . . . . 10.0 113.453 -178.636 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -153.24 153.28 32.38 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 126.35 1.86 . . . . 10.0 109.024 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 91.9 mt -114.58 142.18 46.78 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.823 0.849 . . . . 10.0 112.693 -178.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -136.33 139.2 42.41 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 126.171 1.788 . . . . 10.0 110.011 -179.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 22.4 p30 -121.62 172.58 8.01 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 124.033 0.933 . . . . 10.0 112.118 178.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.3 -41.96 73.06 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 113.422 0.897 . . . . 10.0 113.422 -178.113 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 26.3 mmt -70.51 -39.03 74.34 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.134 0.573 . . . . 10.0 112.276 178.048 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -67.82 -43.42 79.63 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 121.299 -0.875 . . . . 10.0 111.534 178.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 80.6 mt -65.32 -35.46 75.39 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 C-N-CA 124.582 1.153 . . . . 10.0 110.288 176.21 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.17 -36.59 84.55 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 121.792 -0.568 . . . . 10.0 111.416 175.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -72.37 -40.41 67.31 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 121.516 -0.74 . . . . 10.0 110.88 175.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 52.4 mt . . . . . 0 N--CA 1.479 1.015 0 CA-C-N 119.151 0.887 . . . . 10.0 109.948 175.654 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.5 m . . . . . 0 N--CA 1.473 0.701 0 N-CA-C 113.557 0.947 . . . . 10.0 113.557 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 19.4 ptp180 -54.4 -33.73 59.89 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 125.456 1.502 . . . . 10.0 114.219 -179.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -57.0 -36.47 70.44 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.413 1.485 . . . . 10.0 112.724 -179.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 65.5 mtt85 -67.67 -41.81 83.15 Favored 'General case' 0 N--CA 1.478 0.943 0 O-C-N 121.405 -0.809 . . . . 10.0 111.401 175.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 16.7 t -65.54 -41.91 92.51 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-O 121.075 0.464 . . . . 10.0 110.964 174.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.78 -42.7 99.33 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.711 1.204 . . . . 10.0 112.191 178.095 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -61.02 -38.17 85.14 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.937 0.895 . . . . 10.0 111.774 177.03 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.93 -33.64 74.06 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.489 0.716 . . . . 10.0 112.54 175.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.1 tp -76.05 -47.11 25.97 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.827 1.251 . . . . 10.0 111.656 178.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.11 -21.23 66.77 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 115.881 1.808 . . . . 10.0 115.881 -176.013 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 36.2 p -82.17 -10.55 59.12 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 113.606 0.965 . . . . 10.0 113.606 177.14 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 97.8 mt -67.43 159.7 76.24 Favored Pre-proline 0 CA--C 1.551 0.991 0 C-N-CA 124.495 1.118 . . . . 10.0 111.624 177.064 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -47.08 127.32 12.51 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 123.914 3.076 . . . . 10.0 113.895 179.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -54.91 -39.51 68.88 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.478 1.111 . . . . 10.0 112.987 -178.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -62.33 -41.57 98.66 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.385 1.074 . . . . 10.0 112.343 178.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -66.45 -45.53 79.46 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 121.422 -0.799 . . . . 10.0 110.987 178.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 96.4 t -60.97 -48.0 91.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 123.635 0.774 . . . . 10.0 110.078 177.007 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -59.57 -43.76 93.51 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.87 0.868 . . . . 10.0 112.6 178.228 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 31.4 m -59.79 -43.69 94.29 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 119.012 0.824 . . . . 10.0 112.818 178.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 62.1 mt -68.21 -45.37 83.06 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 CA-C-N 119.291 0.951 . . . . 10.0 110.398 178.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 93.4 mt -61.35 -35.61 77.93 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.3 -0.875 . . . . 10.0 112.208 177.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.4 -14.7 61.77 Favored 'General case' 0 CA--C 1.549 0.934 0 N-CA-C 113.969 1.1 . . . . 10.0 113.969 176.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -111.85 -26.69 8.81 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.892 1.277 . . . . 10.0 114.244 -177.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -136.72 -15.61 1.57 Allowed 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 115.008 1.485 . . . . 10.0 115.008 -178.399 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.95 -9.25 25.71 Favored Glycine 0 CA--C 1.537 1.412 0 C-N-CA 124.693 1.139 . . . . 10.0 115.799 179.141 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -143.62 160.83 39.96 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.95 1.3 . . . . 10.0 112.014 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 84.9 mt -134.26 136.56 53.04 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 C-N-CA 126.747 2.019 . . . . 10.0 108.634 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -124.4 123.78 40.92 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.394 1.478 . . . . 10.0 109.864 178.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 57.2 mtt -137.3 156.26 48.47 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.444 1.498 . . . . 10.0 112.415 -177.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 12.0 p-80 -94.45 141.65 28.34 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.606 0.763 . . . . 10.0 111.67 178.142 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 53.4 t -56.11 120.46 7.55 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 127.211 2.204 . . . . 10.0 110.815 178.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -65.56 -13.91 59.98 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 113.049 0.759 . . . . 10.0 113.049 179.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -102.04 -36.96 8.39 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.826 1.65 . . . . 10.0 114.04 -178.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 5.9 m -125.07 -11.19 7.08 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 116.338 1.977 . . . . 10.0 116.338 -173.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.33 -8.73 45.04 Favored Glycine 0 CA--C 1.541 1.676 0 N-CA-C 116.02 1.168 . . . . 10.0 116.02 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -66.73 150.0 49.72 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 118.889 1.344 . . . . 10.0 112.093 178.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 10.5 p-80 -82.79 150.9 26.36 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 120.981 -1.074 . . . . 10.0 113.413 -179.206 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -150.23 133.48 16.34 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 126.489 1.916 . . . . 10.0 108.361 177.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.7 pp -114.55 142.31 46.59 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.021 0.929 . . . . 10.0 111.804 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -136.34 151.86 50.04 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 125.858 1.663 . . . . 10.0 110.579 -178.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 23.5 p30 -121.15 179.2 4.47 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 121.794 0.807 . . . . 10.0 113.052 179.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.42 -39.97 70.88 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 112.938 0.718 . . . . 10.0 112.938 -179.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 34.8 mmt -70.52 -39.18 74.22 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.443 0.697 . . . . 10.0 111.958 177.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -61.43 -48.03 83.03 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 119.005 0.821 . . . . 10.0 110.576 176.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 84.2 mt -65.28 -39.05 84.14 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 C-N-CA 124.64 1.176 . . . . 10.0 110.611 178.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.53 -37.32 83.32 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 118.914 0.779 . . . . 10.0 112.214 176.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -71.04 -43.49 67.75 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 121.465 -0.772 . . . . 10.0 110.694 175.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 54.3 mt . . . . . 0 N--CA 1.479 1.009 0 C-N-CA 124.313 1.045 . . . . 10.0 110.772 177.088 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 45.2 t . . . . . 0 N--CA 1.469 0.503 0 CA-C-O 121.122 0.487 . . . . 10.0 112.299 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 74.7 ttt-85 -55.14 -30.52 59.98 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.751 1.62 . . . . 10.0 111.122 172.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -57.25 -36.36 70.86 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.445 1.498 . . . . 10.0 112.424 177.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 57.3 mtt180 -69.69 -38.49 77.01 Favored 'General case' 0 N--CA 1.477 0.921 0 O-C-N 121.138 -0.976 . . . . 10.0 111.519 175.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 11.8 t -65.47 -40.35 93.05 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.22 0.608 . . . . 10.0 110.586 174.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.96 -43.06 99.63 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.389 1.075 . . . . 10.0 111.129 175.213 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -60.22 -43.08 96.29 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.374 1.07 . . . . 10.0 110.844 176.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.06 -33.72 76.11 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.626 1.17 . . . . 10.0 113.18 176.065 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 41.3 tp -70.31 -37.49 74.76 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.77 1.228 . . . . 10.0 111.675 179.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.36 -31.55 63.91 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 114.23 1.196 . . . . 10.0 114.23 -177.678 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 72.1 p -73.4 -13.88 61.16 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 114.64 1.348 . . . . 10.0 114.64 -176.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 52.3 mt -65.76 147.21 98.85 Favored Pre-proline 0 CA--C 1.55 0.945 0 CA-C-N 119.4 1.0 . . . . 10.0 111.063 177.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -56.65 139.52 88.34 Favored 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 123.119 2.546 . . . . 10.0 113.0 179.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -57.72 -37.72 74.02 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 123.465 0.706 . . . . 10.0 112.67 179.105 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -66.44 -37.99 86.41 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.243 0.617 . . . . 10.0 111.998 177.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -69.16 -47.33 65.28 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.056 0.943 . . . . 10.0 110.492 177.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 49.4 t -60.02 -48.96 85.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 124.388 1.075 . . . . 10.0 110.657 177.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -62.73 -37.78 87.91 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.346 0.659 . . . . 10.0 112.303 178.073 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 75.5 m -60.8 -44.32 97.0 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 118.752 0.705 . . . . 10.0 112.055 177.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 61.3 mt -66.85 -45.76 86.87 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 123.119 0.567 . . . . 10.0 110.202 178.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 81.7 mt -60.93 -37.12 81.2 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.278 -0.889 . . . . 10.0 112.463 177.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.69 -9.95 41.55 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 114.284 1.216 . . . . 10.0 114.284 177.124 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -122.06 -18.72 6.84 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 114.395 1.257 . . . . 10.0 114.395 -179.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -139.82 -11.93 1.14 Allowed 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 115.793 1.775 . . . . 10.0 115.793 -179.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.09 -0.35 39.35 Favored Glycine 0 CA--C 1.539 1.588 0 N-CA-C 115.913 1.125 . . . . 10.0 115.913 179.045 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -157.06 163.03 39.46 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.51 1.524 . . . . 10.0 111.851 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 31.4 mt -133.84 136.31 54.11 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 C-N-CA 125.75 1.62 . . . . 10.0 109.644 -179.187 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -99.18 130.7 45.5 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.614 1.166 . . . . 10.0 108.005 173.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 15.9 tpt -131.17 152.52 50.36 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.402 1.081 . . . . 10.0 111.445 -177.09 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 25.8 p-80 -94.59 141.67 28.33 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.786 1.234 . . . . 10.0 112.766 -179.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 53.2 t -77.15 94.11 4.02 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.935 1.694 . . . . 10.0 107.547 173.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -57.15 -20.97 29.32 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 113.327 0.862 . . . . 10.0 113.327 -179.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -82.29 -35.98 27.48 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 126.152 1.781 . . . . 10.0 114.857 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 21.6 m -125.71 -16.27 5.77 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 116.637 2.088 . . . . 10.0 116.637 -174.137 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 91.86 -3.24 77.41 Favored Glycine 0 CA--C 1.54 1.622 0 C-N-CA 124.504 1.049 . . . . 10.0 114.552 -178.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -71.3 -177.31 1.72 Allowed 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 126.004 1.722 . . . . 10.0 111.235 176.095 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 5.3 p80 -141.83 160.49 40.09 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 120.43 -1.419 . . . . 10.0 111.905 175.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -150.17 154.82 38.66 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 125.851 1.66 . . . . 10.0 109.049 -178.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.494 ' H ' HD23 ' A' ' 48' ' ' LEU . 1.7 pt? -112.47 142.12 45.4 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.22 1.008 . . . . 10.0 112.162 -179.687 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -134.35 122.03 22.03 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 125.784 1.634 . . . . 10.0 111.119 -176.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -82.72 168.39 17.26 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.667 0.787 . . . . 10.0 111.579 179.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.3 -39.11 69.51 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.748 0.819 . . . . 10.0 112.515 178.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 77.0 mtm -66.82 -38.31 86.2 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.78 0.832 . . . . 10.0 112.682 178.074 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -71.11 -43.12 68.32 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 121.341 -0.849 . . . . 10.0 110.434 178.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 56.7 mt -62.45 -36.96 77.45 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 C-N-CA 124.406 1.082 . . . . 10.0 110.391 175.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.54 -39.66 91.99 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.743 -0.598 . . . . 10.0 111.402 175.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -66.06 -42.69 89.14 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.268 -0.895 . . . . 10.0 110.395 175.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 65.3 mt . . . . . 0 N--CA 1.474 0.73 0 C-N-CA 124.36 1.064 . . . . 10.0 110.274 175.904 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 92.4 p . . . . . 0 N--CA 1.473 0.703 0 N-CA-C 114.093 1.146 . . . . 10.0 114.093 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.7 ttm-85 -59.37 -34.18 72.08 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.033 0.933 . . . . 10.0 111.148 174.311 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -57.1 -39.75 75.68 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.483 1.113 . . . . 10.0 112.19 -179.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.4 mmm180 -64.64 -41.21 96.3 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 119.035 0.834 . . . . 10.0 112.223 176.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 10.2 t -68.35 -41.95 79.95 Favored 'General case' 0 CA--C 1.548 0.865 0 C-N-CA 123.906 0.883 . . . . 10.0 111.549 175.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.0 -39.41 92.16 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.197 1.399 . . . . 10.0 112.055 177.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -58.96 -36.39 74.74 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.848 1.259 . . . . 10.0 111.499 177.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.19 -33.79 67.91 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 123.966 0.906 . . . . 10.0 113.274 174.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 18.8 tp -76.28 -45.85 30.62 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.713 1.205 . . . . 10.0 111.838 179.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 42.2 pttt -62.02 -24.06 66.82 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 115.417 1.636 . . . . 10.0 115.417 -176.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 37.4 p -80.11 -11.48 59.75 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 113.595 0.961 . . . . 10.0 113.595 179.256 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 89.0 mt -68.33 154.4 94.24 Favored Pre-proline 0 CA--C 1.551 1.007 0 C-N-CA 123.924 0.89 . . . . 10.0 110.971 176.164 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -52.58 131.13 39.74 Favored 'Trans proline' 0 C--N 1.351 0.708 0 C-N-CA 123.335 2.69 . . . . 10.0 113.192 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -57.88 -39.33 77.59 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.3 0.64 . . . . 10.0 112.512 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -65.63 -39.32 91.34 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.483 0.713 . . . . 10.0 111.713 177.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -65.39 -46.41 80.18 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 121.506 -0.747 . . . . 10.0 110.754 177.28 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 67.5 t -60.92 -47.15 94.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 123.708 0.803 . . . . 10.0 110.291 176.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -58.58 -39.69 81.04 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.924 0.89 . . . . 10.0 112.682 178.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 34.7 m -59.75 -42.64 93.64 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 119.091 0.86 . . . . 10.0 112.367 177.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 27.4 mm -68.59 -43.81 83.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 CA-C-N 119.179 0.899 . . . . 10.0 110.767 177.264 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 84.0 mt -62.32 -34.0 75.77 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 121.314 -0.866 . . . . 10.0 112.257 177.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.01 -7.04 54.94 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.901 1.28 . . . . 10.0 113.974 176.265 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -119.47 -32.03 4.45 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.641 1.176 . . . . 10.0 113.925 -176.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -136.78 -17.27 1.45 Allowed 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 114.557 1.317 . . . . 10.0 114.557 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.84 -0.62 65.31 Favored Glycine 0 CA--C 1.537 1.441 0 N-CA-C 116.083 1.193 . . . . 10.0 116.083 178.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -149.2 158.77 44.45 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 118.827 1.313 . . . . 10.0 113.508 -178.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 78.9 mt -135.33 133.74 52.55 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 C-N-CA 126.284 1.834 . . . . 10.0 110.0 -178.297 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -89.95 135.79 33.43 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.131 1.372 . . . . 10.0 108.756 173.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 66.5 mmm -136.6 157.21 47.31 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 125.599 1.56 . . . . 10.0 111.861 -177.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 56.0 m-70 -128.6 134.8 48.69 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.78 1.232 . . . . 10.0 110.233 176.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 53.8 t -55.85 118.06 4.25 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 126.597 1.959 . . . . 10.0 110.964 179.081 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -65.72 -7.27 14.68 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 113.648 0.981 . . . . 10.0 113.648 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -111.76 -36.41 5.46 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 126.242 1.817 . . . . 10.0 114.076 -177.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 10.5 m -122.28 -10.89 8.45 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 115.584 1.698 . . . . 10.0 115.584 -174.373 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 77.4 -10.29 23.32 Favored Glycine 0 CA--C 1.54 1.64 0 C-N-CA 124.824 1.202 . . . . 10.0 114.83 -177.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -55.85 139.65 45.06 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 126.598 1.959 . . . . 10.0 111.867 178.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 7.8 p-80 -82.53 157.11 23.66 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.293 -0.879 . . . . 10.0 112.92 -178.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -150.65 148.99 29.27 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 126.698 1.999 . . . . 10.0 108.058 179.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 31.8 tp -114.74 139.73 49.46 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.483 1.113 . . . . 10.0 108.33 177.402 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -134.22 142.6 47.43 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.7 1.2 . . . . 10.0 110.062 179.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -121.24 172.12 8.23 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.323 1.449 . . . . 10.0 110.467 -179.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.41 -39.67 70.49 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 121.613 -0.68 . . . . 10.0 112.558 178.173 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 98.3 mmm -68.01 -37.87 81.95 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.706 0.802 . . . . 10.0 112.572 177.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -65.58 -47.85 74.36 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 118.677 0.671 . . . . 10.0 110.397 177.087 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 95.9 mt -61.7 -37.51 78.18 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 C-N-CA 124.827 1.251 . . . . 10.0 110.773 179.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.4 -37.27 85.12 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.244 0.618 . . . . 10.0 112.236 176.155 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -73.32 -43.8 60.18 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 121.136 -0.977 . . . . 10.0 110.649 175.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 53.7 mt . . . . . 0 N--CA 1.477 0.907 0 C-N-CA 124.713 1.205 . . . . 10.0 111.271 177.214 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 35.6 t . . . . . 0 N--CA 1.467 0.38 0 CA-C-O 121.348 0.594 . . . . 10.0 112.28 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 74.5 ttt-85 -55.1 -30.45 59.74 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 126.153 1.781 . . . . 10.0 111.316 173.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -57.18 -37.12 71.67 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.358 1.463 . . . . 10.0 112.844 178.338 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 83.4 mtt180 -67.52 -43.13 81.54 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 119.148 0.885 . . . . 10.0 111.104 175.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 9.1 t -63.08 -41.11 99.35 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.622 0.769 . . . . 10.0 110.964 176.076 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.08 -44.74 96.02 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.007 1.323 . . . . 10.0 111.576 176.179 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -60.93 -39.55 89.87 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.026 0.93 . . . . 10.0 111.918 177.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.81 -33.54 76.09 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.62 0.768 . . . . 10.0 112.603 175.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.6 tp -75.77 -43.82 44.59 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.95 1.3 . . . . 10.0 110.996 178.002 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.8 pttt -56.33 -28.71 59.81 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 114.765 1.394 . . . . 10.0 114.765 -177.289 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 38.2 p -81.9 -10.44 59.29 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 114.323 1.231 . . . . 10.0 114.323 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 94.6 mt -68.26 153.9 94.86 Favored Pre-proline 0 CA--C 1.55 0.95 0 CA-C-N 119.329 0.968 . . . . 10.0 111.484 178.033 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -52.31 133.8 49.15 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 123.453 2.768 . . . . 10.0 113.031 179.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -56.35 -41.51 76.26 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.62 0.768 . . . . 10.0 112.098 179.27 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -61.54 -40.82 96.06 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.696 1.198 . . . . 10.0 112.454 178.394 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -69.49 -45.87 67.95 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.506 0.722 . . . . 10.0 111.031 178.072 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.4 t -60.37 -48.38 88.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 123.656 0.782 . . . . 10.0 110.287 177.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -62.69 -38.25 89.65 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.848 0.859 . . . . 10.0 112.56 177.521 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 74.0 m -60.94 -42.01 97.34 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 118.709 0.686 . . . . 10.0 112.41 178.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 68.9 mt -67.71 -44.06 86.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 CA-C-N 118.711 0.687 . . . . 10.0 109.934 177.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 95.7 mt -60.92 -37.95 84.07 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.329 -0.857 . . . . 10.0 112.057 176.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.3 -15.04 63.42 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 124.247 1.019 . . . . 10.0 113.729 176.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -108.32 -28.43 9.42 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.035 1.334 . . . . 10.0 114.016 -178.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -140.99 -8.28 1.04 Allowed 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 115.892 1.812 . . . . 10.0 115.892 -177.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 73.54 -3.89 30.84 Favored Glycine 0 CA--C 1.539 1.568 0 O-C-N 120.943 -1.098 . . . . 10.0 115.754 179.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -152.91 161.6 42.35 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.308 1.443 . . . . 10.0 112.197 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 20.1 mt -134.1 136.55 53.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 C-N-CA 126.885 2.074 . . . . 10.0 110.065 -175.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -98.19 129.8 44.95 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.749 1.219 . . . . 10.0 108.514 173.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 15.1 tpt -128.8 149.22 50.82 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.475 1.11 . . . . 10.0 111.066 -177.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 61.7 t60 -99.81 141.61 32.39 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.265 1.426 . . . . 10.0 113.844 -175.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 53.6 t -87.91 89.43 7.99 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.827 1.651 . . . . 10.0 108.162 174.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -58.5 -24.19 59.84 Favored 'General case' 0 CA--C 1.549 0.925 0 O-C-N 121.408 -0.807 . . . . 10.0 113.031 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -72.03 -38.09 69.62 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 126.138 1.775 . . . . 10.0 114.689 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 32.0 m -123.17 -24.25 4.74 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 115.707 1.743 . . . . 10.0 115.707 -174.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.98 -2.58 44.56 Favored Glycine 0 CA--C 1.539 1.577 0 C-N-CA 125.242 1.401 . . . . 10.0 114.009 -178.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -75.12 -172.34 1.65 Allowed 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 126.113 1.765 . . . . 10.0 112.838 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -146.46 163.21 36.4 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.902 1.281 . . . . 10.0 111.029 176.128 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -148.72 156.78 42.83 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 125.719 1.608 . . . . 10.0 108.842 -178.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 58.7 mt -113.74 142.06 46.51 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.799 0.84 . . . . 10.0 111.055 -179.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -135.31 141.84 45.72 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 126.093 1.757 . . . . 10.0 110.069 -178.059 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 24.9 p30 -121.48 175.8 6.0 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.244 1.018 . . . . 10.0 111.823 179.061 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.2 -41.81 72.46 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 113.496 0.924 . . . . 10.0 113.496 -178.082 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 26.5 mmt -70.6 -38.92 74.05 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.201 0.601 . . . . 10.0 112.511 178.097 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -70.91 -40.68 72.01 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 121.267 -0.895 . . . . 10.0 111.579 179.205 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 74.0 mt -64.14 -35.89 75.22 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 C-N-CA 124.523 1.129 . . . . 10.0 109.881 174.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.25 -38.27 90.45 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.703 -0.623 . . . . 10.0 111.19 175.306 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -70.93 -36.55 72.68 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 121.22 -0.925 . . . . 10.0 111.363 175.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 57.0 mt . . . . . 0 N--CA 1.473 0.7 0 O-C-N 121.539 -0.726 . . . . 10.0 109.434 173.907 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.6 t . . . . . 0 N--CA 1.476 0.834 0 N-CA-C 113.196 0.813 . . . . 10.0 113.196 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.6 ttp180 -55.14 -30.47 59.87 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 125.349 1.46 . . . . 10.0 111.46 174.026 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -56.92 -35.2 68.75 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.896 1.278 . . . . 10.0 112.514 178.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.6 mmm180 -69.45 -41.8 75.77 Favored 'General case' 0 N--CA 1.477 0.908 0 O-C-N 121.319 -0.863 . . . . 10.0 111.357 175.097 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 9.1 t -64.5 -39.05 93.06 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 123.991 0.916 . . . . 10.0 110.983 175.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.07 -44.46 96.63 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.982 1.313 . . . . 10.0 111.479 175.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -61.94 -36.62 81.94 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.182 0.993 . . . . 10.0 111.204 176.352 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.79 -33.66 68.75 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.186 0.994 . . . . 10.0 112.756 174.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.9 tp -70.42 -42.62 71.35 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.468 1.507 . . . . 10.0 111.199 178.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.5 pttm -57.64 -24.22 55.34 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 115.623 1.712 . . . . 10.0 115.623 -177.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 68.6 p -86.8 -11.93 49.52 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 113.657 0.984 . . . . 10.0 113.657 179.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 80.2 mt -70.16 156.49 91.75 Favored Pre-proline 0 CA--C 1.55 0.95 0 C-N-CA 124.088 0.955 . . . . 10.0 110.872 176.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -51.53 115.81 2.32 Favored 'Trans proline' 0 C--N 1.352 0.751 0 C-N-CA 123.55 2.833 . . . . 10.0 112.623 178.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -57.92 -35.65 71.37 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 113.157 0.799 . . . . 10.0 113.157 -177.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -65.27 -38.41 90.19 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.847 0.859 . . . . 10.0 112.065 177.382 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -69.52 -43.36 73.2 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 121.295 -0.878 . . . . 10.0 110.179 175.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 42.7 t -57.91 -47.48 86.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 124.513 1.125 . . . . 10.0 109.821 175.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -65.47 -36.55 84.22 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.537 0.735 . . . . 10.0 112.683 177.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.0 m -61.26 -40.26 93.45 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.486 0.714 . . . . 10.0 111.74 177.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 75.6 mt -68.27 -45.0 83.51 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 123.14 0.576 . . . . 10.0 109.671 175.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 61.1 mt -59.04 -37.56 77.29 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 121.143 -0.973 . . . . 10.0 112.337 176.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.27 -6.42 34.77 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 114.527 1.306 . . . . 10.0 114.527 177.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -127.69 -27.82 2.79 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 114.25 1.204 . . . . 10.0 114.25 -177.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -128.4 -16.31 4.41 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.447 1.499 . . . . 10.0 114.617 -179.628 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.84 -0.83 42.47 Favored Glycine 0 CA--C 1.54 1.618 0 N-CA-C 116.043 1.177 . . . . 10.0 116.043 179.121 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -157.68 161.28 38.57 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.761 1.624 . . . . 10.0 111.671 179.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 16.8 mt -133.63 136.11 54.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 125.619 1.568 . . . . 10.0 109.614 -179.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -103.23 126.44 50.4 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.908 1.683 . . . . 10.0 109.668 176.102 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 28.0 ttt -138.84 149.44 44.91 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.242 1.017 . . . . 10.0 112.362 -177.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 78.1 m-70 -95.35 134.38 38.2 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.3 1.04 . . . . 10.0 110.219 176.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 38.3 t -54.75 121.84 9.42 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.568 1.547 . . . . 10.0 110.906 178.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -63.06 -9.32 9.94 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 115.101 1.519 . . . . 10.0 115.101 -177.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -105.55 -33.92 7.94 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 115.119 1.525 . . . . 10.0 115.119 -176.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 7.5 p -140.62 -0.57 1.54 Allowed 'General case' 0 CA--C 1.551 0.983 0 N-CA-C 116.194 1.924 . . . . 10.0 116.194 -176.245 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 81.7 -2.8 81.84 Favored Glycine 0 CA--C 1.534 1.26 0 N-CA-C 117.596 1.798 . . . . 10.0 117.596 174.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 15.1 t30 -60.85 135.26 57.73 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 120.063 1.931 . . . . 10.0 111.316 178.4 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 15.7 p80 -82.4 143.0 31.51 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 121.408 -0.807 . . . . 10.0 112.253 -179.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -143.74 157.29 44.5 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 126.229 1.812 . . . . 10.0 108.893 179.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.435 ' H ' HD23 ' A' ' 48' ' ' LEU . 1.6 pt? -114.99 146.97 40.68 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.075 0.95 . . . . 10.0 111.968 178.311 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -130.53 126.46 36.87 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 125.534 1.534 . . . . 10.0 109.921 179.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 25.8 m-80 -93.53 171.75 8.7 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.418 1.087 . . . . 10.0 111.407 -178.139 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.38 -39.07 75.28 Favored 'General case' 0 CA--C 1.545 0.75 0 O-C-N 121.723 -0.611 . . . . 10.0 111.234 174.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 67.6 mtt -67.34 -39.25 85.79 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.389 1.076 . . . . 10.0 112.343 177.038 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -62.53 -48.05 81.25 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 118.596 0.635 . . . . 10.0 110.381 177.122 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 48.6 mt -66.57 -37.57 79.85 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 C-N-CA 124.198 0.999 . . . . 10.0 111.172 179.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.07 -36.01 78.47 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 118.932 0.787 . . . . 10.0 111.87 174.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -72.36 -45.12 61.24 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 121.524 -0.735 . . . . 10.0 110.642 175.425 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 73.4 mt . . . . . 0 N--CA 1.474 0.741 0 C-N-CA 123.729 0.811 . . . . 10.0 110.085 177.126 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.3 t . . . . . 0 N--CA 1.475 0.801 0 N-CA-C 116.751 2.13 . . . . 10.0 116.751 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.82 -33.25 64.28 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 127.228 2.211 . . . . 10.0 111.839 176.163 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.5 tm-20 -54.72 -44.11 73.21 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 125.009 1.324 . . . . 10.0 112.948 -178.556 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -69.58 -37.48 76.99 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 118.875 0.762 . . . . 10.0 112.481 176.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 16.6 t -66.5 -42.03 88.01 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.48 0.712 . . . . 10.0 111.306 176.197 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.98 -45.8 92.03 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.121 1.368 . . . . 10.0 111.423 176.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -62.84 -36.42 83.16 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.374 0.669 . . . . 10.0 111.93 177.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.8 -40.69 75.81 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.425 0.69 . . . . 10.0 112.664 176.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.7 tp -62.39 -41.71 98.86 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.236 1.414 . . . . 10.0 112.421 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.5 pttt -59.44 -20.78 57.73 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 114.456 1.28 . . . . 10.0 114.456 -179.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 29.3 p -71.29 -21.66 62.05 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.048 0.939 . . . . 10.0 113.393 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 88.6 mt -69.76 141.7 90.32 Favored Pre-proline 0 CA--C 1.546 0.819 0 C-N-CA 123.901 0.88 . . . . 10.0 110.563 177.412 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_exo -52.0 128.82 28.27 Favored 'Trans proline' 0 C--N 1.352 0.712 0 C-N-CA 123.213 2.609 . . . . 10.0 112.552 178.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -55.58 -36.0 66.41 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.692 0.797 . . . . 10.0 113.011 -178.576 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -62.87 -42.3 99.7 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.682 0.793 . . . . 10.0 112.152 177.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -69.94 -40.03 75.74 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.334 -0.854 . . . . 10.0 111.517 176.364 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.53 -45.53 96.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 123.899 0.88 . . . . 10.0 109.916 176.31 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -61.09 -39.18 88.96 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.081 0.953 . . . . 10.0 112.228 176.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 75.7 m -59.93 -40.76 90.0 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 119.228 0.922 . . . . 10.0 112.199 176.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 80.9 mt -68.03 -46.19 82.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 123.558 0.743 . . . . 10.0 109.993 177.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 93.8 mt -59.74 -36.65 77.03 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 121.445 -0.785 . . . . 10.0 111.679 177.134 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.01 -11.1 56.05 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 114.909 1.448 . . . . 10.0 114.909 177.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -122.72 -11.73 8.17 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 114.912 1.449 . . . . 10.0 114.912 179.387 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -141.69 -14.79 0.83 Allowed 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 115.159 1.54 . . . . 10.0 115.159 179.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.73 -4.69 20.62 Favored Glycine 0 CA--C 1.538 1.51 0 C-N-CA 125.108 1.337 . . . . 10.0 115.932 178.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -155.97 168.13 28.21 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.418 1.487 . . . . 10.0 111.986 -179.239 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 65.2 mt -135.2 129.91 50.77 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 C-N-CA 126.436 1.894 . . . . 10.0 109.885 -177.337 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -91.92 105.06 17.41 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 107.177 -1.416 . . . . 10.0 107.177 173.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.91 153.31 23.74 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 124.68 1.192 . . . . 10.0 111.712 -175.683 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 71.5 m80 -118.89 136.07 54.24 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.349 1.06 . . . . 10.0 111.424 179.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 13.8 t -73.84 86.25 1.73 Allowed 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 127.16 2.184 . . . . 10.0 109.451 178.093 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -51.94 -22.3 3.78 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.08 1.352 . . . . 10.0 114.494 -177.349 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -65.68 -33.48 75.99 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 127.005 2.122 . . . . 10.0 114.277 177.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 31.2 p -139.97 -28.96 0.73 Allowed 'General case' 0 CA--C 1.549 0.928 0 N-CA-C 116.43 2.011 . . . . 10.0 116.43 -178.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.72 -4.49 17.0 Favored Glycine 0 CA--C 1.537 1.45 0 C-N-CA 125.522 1.534 . . . . 10.0 115.748 178.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -64.33 168.14 6.0 Favored 'General case' 0 CA--C 1.552 1.036 0 CA-C-N 119.19 1.495 . . . . 10.0 112.666 179.082 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -122.19 150.6 42.03 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.573 1.549 . . . . 10.0 112.535 179.087 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -150.96 152.75 34.03 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 125.736 1.614 . . . . 10.0 109.592 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 88.6 mt -106.47 141.81 37.16 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.034 0.533 . . . . 10.0 110.604 178.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -134.89 146.06 48.84 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.847 1.259 . . . . 10.0 110.702 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.3 p30 -127.34 175.69 8.0 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.706 1.603 . . . . 10.0 111.117 179.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.44 -42.49 74.29 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 113.575 0.954 . . . . 10.0 113.575 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 21.3 mmt -70.72 -40.61 72.7 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.511 0.724 . . . . 10.0 112.249 178.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.65 -43.39 98.93 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 121.398 -0.814 . . . . 10.0 110.577 175.724 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 75.3 mt -64.96 -40.38 88.89 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 C-N-CA 124.369 1.068 . . . . 10.0 110.512 177.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.63 -36.9 85.35 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 121.457 -0.777 . . . . 10.0 111.819 175.25 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -68.89 -42.89 76.32 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.379 -0.825 . . . . 10.0 110.368 175.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 51.0 mt . . . . . 0 N--CA 1.475 0.778 0 C-N-CA 124.045 0.938 . . . . 10.0 110.117 176.305 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 31.8 m . . . . . 0 N--CA 1.475 0.796 0 N-CA-C 115.948 1.833 . . . . 10.0 115.948 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.7 ttp180 -55.11 -29.9 58.62 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 125.084 1.353 . . . . 10.0 113.321 -179.626 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -52.34 -42.33 63.78 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.251 1.421 . . . . 10.0 113.225 -179.421 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 49.2 mtt180 -66.53 -42.4 87.28 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-N 119.59 1.086 . . . . 10.0 111.763 175.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 60.5 m -63.25 -39.27 94.13 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 118.674 0.67 . . . . 10.0 111.166 175.531 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.0 -43.77 98.14 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.958 0.903 . . . . 10.0 111.105 176.145 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -65.02 -42.18 94.61 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.633 -0.667 . . . . 10.0 111.636 176.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.8 -33.55 74.31 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.032 0.933 . . . . 10.0 112.256 175.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 15.8 tp -75.19 -44.98 43.52 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.84 1.656 . . . . 10.0 110.64 177.217 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.19 -24.3 64.67 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 116.566 2.061 . . . . 10.0 116.566 -177.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 42.5 p -78.3 -16.01 58.18 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 113.324 0.861 . . . . 10.0 113.324 178.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 87.2 mt -72.03 155.34 91.95 Favored Pre-proline 0 CA--C 1.547 0.86 0 C-N-CA 124.403 1.081 . . . . 10.0 111.335 177.218 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -54.89 139.28 78.7 Favored 'Trans proline' 0 C--N 1.351 0.701 0 C-N-CA 122.858 2.372 . . . . 10.0 111.55 176.248 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -57.06 -42.0 79.75 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 121.6 -0.687 . . . . 10.0 112.25 -179.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -62.17 -30.98 71.44 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 113.899 1.074 . . . . 10.0 113.899 177.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -69.23 -36.57 77.33 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.136 0.974 . . . . 10.0 111.182 175.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 98.3 t -75.9 -45.25 37.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 124.465 1.106 . . . . 10.0 110.527 176.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -62.43 -36.49 82.56 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.098 1.359 . . . . 10.0 113.915 -178.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 94.0 p -61.51 -35.29 77.29 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 113.065 0.765 . . . . 10.0 113.065 179.234 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 8.9 mm -68.52 -38.25 78.9 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 CA-C-N 119.06 0.846 . . . . 10.0 110.591 177.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 64.2 mt -62.1 -30.36 70.96 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.191 -0.943 . . . . 10.0 112.224 175.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.48 -6.2 57.8 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 124.778 1.231 . . . . 10.0 114.051 176.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -124.86 -26.65 3.72 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 114.602 1.334 . . . . 10.0 114.602 -177.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -138.79 -25.96 0.88 Allowed 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 114.25 1.204 . . . . 10.0 114.25 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.06 -2.93 88.01 Favored Glycine 0 CA--C 1.538 1.483 0 N-CA-C 115.667 1.027 . . . . 10.0 115.667 178.056 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -151.17 163.0 39.84 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.938 1.695 . . . . 10.0 111.22 179.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 73.4 mt -131.24 136.47 57.64 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 C-N-CA 126.159 1.783 . . . . 10.0 109.116 179.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -108.05 133.06 52.88 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 125.363 1.465 . . . . 10.0 109.014 176.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 14.9 ttt -136.6 139.32 42.03 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.646 0.779 . . . . 10.0 111.841 -177.529 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 15.6 t60 -94.64 134.63 37.0 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.656 1.183 . . . . 10.0 111.472 -178.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 41.9 t -80.18 80.8 6.55 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.514 1.526 . . . . 10.0 108.607 175.24 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -57.23 -20.94 30.37 Favored 'General case' 0 CA--C 1.548 0.867 0 O-C-N 121.321 -0.862 . . . . 10.0 112.423 178.328 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -68.58 -39.59 80.89 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.544 1.938 . . . . 10.0 113.991 178.039 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 28.1 m -127.06 -28.64 2.86 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 116.303 1.964 . . . . 10.0 116.303 -173.459 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 116.05 -9.91 18.1 Favored Glycine 0 CA--C 1.54 1.599 0 C-N-CA 125.537 1.542 . . . . 10.0 115.258 179.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 54.9 t30 -75.21 -173.95 2.18 Favored 'General case' 0 CA--C 1.555 1.144 0 C-N-CA 125.336 1.454 . . . . 10.0 112.658 179.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -143.53 163.11 34.09 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.355 1.462 . . . . 10.0 109.742 173.378 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -147.46 153.97 40.22 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 124.739 1.215 . . . . 10.0 109.508 -177.404 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 94.3 mt -114.45 147.5 39.2 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.892 0.877 . . . . 10.0 110.487 179.022 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -134.59 139.27 45.22 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 125.252 1.421 . . . . 10.0 110.222 179.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.4 p30 -121.71 -178.97 3.96 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.306 1.043 . . . . 10.0 113.091 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.8 -38.33 69.82 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 113.559 0.948 . . . . 10.0 113.559 179.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 65.0 mtt -70.42 -38.71 74.62 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.46 0.704 . . . . 10.0 111.667 177.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -63.21 -46.79 85.33 Favored 'General case' 0 N--CA 1.467 0.411 0 O-C-N 121.706 -0.621 . . . . 10.0 110.367 175.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 48.3 mt -63.83 -38.39 82.22 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 C-N-CA 124.665 1.186 . . . . 10.0 110.856 178.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.69 -36.04 79.73 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 118.765 0.711 . . . . 10.0 111.894 175.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -73.43 -43.67 59.9 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 121.562 -0.711 . . . . 10.0 110.821 174.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 71.8 mt . . . . . 0 CA--C 1.546 0.824 0 O-C-N 120.876 -1.14 . . . . 10.0 110.531 175.549 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.6 t . . . . . 0 N--CA 1.477 0.916 0 N-CA-C 117.68 2.474 . . . . 10.0 117.68 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 32.6 ttt180 -54.66 -30.29 54.94 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 128.307 2.643 . . . . 10.0 112.626 177.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -56.99 -35.22 68.94 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.979 0.912 . . . . 10.0 112.335 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.8 mmp_? -69.23 -45.95 68.56 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.712 0.805 . . . . 10.0 111.665 176.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 8.6 t -63.83 -37.83 88.84 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.386 1.074 . . . . 10.0 111.339 176.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.62 -44.53 93.66 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.721 1.208 . . . . 10.0 110.758 175.602 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -63.23 -37.6 87.89 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.566 -0.709 . . . . 10.0 111.546 176.009 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.06 -33.83 76.29 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 123.493 0.717 . . . . 10.0 112.0 175.062 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.3 tp -76.06 -43.04 45.6 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.713 1.605 . . . . 10.0 110.742 176.005 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -50.93 -36.6 39.42 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 127.636 2.374 . . . . 10.0 114.605 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 52.0 p -77.77 -13.06 60.01 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 114.547 1.314 . . . . 10.0 114.547 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 78.5 mt -70.63 154.01 94.61 Favored Pre-proline 0 CA--C 1.55 0.976 0 CA-C-N 119.539 1.063 . . . . 10.0 111.194 177.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -53.72 132.19 47.98 Favored 'Trans proline' 0 C--N 1.352 0.719 0 C-N-CA 123.253 2.635 . . . . 10.0 113.083 179.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -57.49 -40.28 78.29 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.782 0.833 . . . . 10.0 113.028 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -63.85 -38.45 91.15 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.64 1.176 . . . . 10.0 112.672 177.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -69.26 -43.59 73.63 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.487 -0.758 . . . . 10.0 110.618 178.023 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 71.0 t -61.47 -48.68 87.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 123.69 0.796 . . . . 10.0 109.905 176.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -60.17 -39.92 88.1 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.012 0.925 . . . . 10.0 112.478 177.544 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.6 t -60.25 -45.72 92.27 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.801 0.84 . . . . 10.0 112.104 178.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 63.1 mt -65.12 -44.35 95.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 O-C-N 121.438 -0.789 . . . . 10.0 110.366 177.019 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 72.1 mt -59.81 -35.04 73.88 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 121.382 -0.824 . . . . 10.0 112.271 177.301 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.78 -8.44 54.26 Favored 'General case' 0 CA--C 1.55 0.974 0 N-CA-C 114.337 1.236 . . . . 10.0 114.337 177.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -122.68 -23.62 5.07 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 114.571 1.323 . . . . 10.0 114.571 -179.048 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -139.1 -17.57 1.04 Allowed 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 115.233 1.568 . . . . 10.0 115.233 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 77.02 -1.08 64.48 Favored Glycine 0 CA--C 1.539 1.554 0 N-CA-C 116.123 1.209 . . . . 10.0 116.123 178.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -151.39 160.51 43.71 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 118.904 1.352 . . . . 10.0 113.178 179.276 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 95.4 mt -134.24 136.32 53.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 126.494 1.918 . . . . 10.0 110.421 -177.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -96.4 127.15 42.13 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.342 1.457 . . . . 10.0 107.841 172.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 13.4 tpt -137.04 160.36 39.16 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.022 1.329 . . . . 10.0 111.623 -176.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -126.29 140.21 52.7 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.171 0.988 . . . . 10.0 112.114 177.766 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 36.6 t -60.51 116.88 4.66 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 126.599 1.96 . . . . 10.0 110.461 179.119 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -63.74 -13.89 47.67 Favored 'General case' 0 CA--C 1.549 0.934 0 N-CA-C 113.764 1.024 . . . . 10.0 113.764 -179.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -89.13 -37.71 14.86 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.976 1.71 . . . . 10.0 114.519 -177.088 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 23.0 p -139.19 -0.46 1.83 Allowed 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 116.582 2.067 . . . . 10.0 116.582 -177.401 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 81.32 -2.59 81.28 Favored Glycine 0 CA--C 1.537 1.459 0 N-CA-C 116.251 1.26 . . . . 10.0 116.251 177.008 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -61.49 134.85 57.34 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 118.881 1.34 . . . . 10.0 111.653 178.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -87.24 154.53 20.64 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 113.666 0.987 . . . . 10.0 113.666 -179.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -152.8 159.44 43.07 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 127.189 2.196 . . . . 10.0 108.649 177.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.416 ' H ' HD23 ' A' ' 48' ' ' LEU . 1.9 pt? -114.77 145.35 42.2 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.336 1.055 . . . . 10.0 110.512 175.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -132.84 145.23 50.79 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.856 1.262 . . . . 10.0 110.898 -179.374 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 14.7 m-80 -118.16 170.47 8.84 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.867 1.267 . . . . 10.0 111.152 -177.113 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.72 -37.35 68.31 Favored 'General case' 0 CA--C 1.546 0.808 0 O-C-N 121.481 -0.762 . . . . 10.0 111.933 176.036 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 77.3 mtm -64.73 -39.38 93.53 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.562 1.145 . . . . 10.0 112.228 176.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -69.44 -46.01 67.76 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.455 0.702 . . . . 10.0 110.713 176.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 47.7 mt -62.1 -36.92 76.88 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 C-N-CA 125.15 1.38 . . . . 10.0 111.582 -178.311 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.65 -38.09 83.71 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 118.338 0.517 . . . . 10.0 111.762 174.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -73.37 -43.75 60.03 Favored 'General case' 0 N--CA 1.467 0.419 0 O-C-N 121.536 -0.728 . . . . 10.0 110.538 175.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 71.7 mt . . . . . 0 N--CA 1.479 1.004 0 C-N-CA 124.844 1.258 . . . . 10.0 111.352 178.156 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.1 mpp? . . . . . 0 N--CA 1.487 1.382 0 N-CA-C 109.685 -0.487 . . . . 10.0 109.685 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 34.2 t0 -152.25 174.51 13.69 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.654 1.181 . . . . 10.0 111.99 -179.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.9 p -139.16 143.84 30.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 125.39 1.476 . . . . 10.0 111.422 179.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -97.03 31.69 2.34 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.756 1.622 . . . . 10.0 113.108 -177.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -141.0 94.95 2.77 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 126.05 1.74 . . . . 10.0 109.447 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -149.83 155.62 40.39 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.849 1.66 . . . . 10.0 110.892 -178.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.3 t -58.15 114.42 2.37 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.892 1.277 . . . . 10.0 109.225 173.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 64.2 p -71.27 -10.9 60.52 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 114.451 1.278 . . . . 10.0 114.451 -175.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.2 p -113.96 -87.95 0.56 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 127.339 2.255 . . . . 10.0 109.388 178.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.4 m -177.65 156.77 1.17 Allowed 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 126.895 2.078 . . . . 10.0 112.234 177.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 32.2 ttp85 -55.02 -30.17 58.95 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 124.585 1.154 . . . . 10.0 112.4 176.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -56.16 -31.6 63.54 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.407 1.483 . . . . 10.0 112.286 177.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -70.88 -45.42 64.42 Favored 'General case' 0 N--CA 1.477 0.877 0 O-C-N 121.15 -0.969 . . . . 10.0 110.272 176.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 17.3 t -61.6 -41.94 98.15 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.811 0.844 . . . . 10.0 110.944 174.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.49 -43.93 97.62 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.68 1.192 . . . . 10.0 111.785 176.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -60.88 -41.34 95.79 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 121.232 -0.917 . . . . 10.0 111.366 176.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.46 -33.57 72.76 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.24 1.016 . . . . 10.0 112.638 175.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.0 tp -75.84 -45.28 36.63 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.211 1.404 . . . . 10.0 110.292 176.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.8 tmtt? -53.52 -32.06 48.84 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 126.187 1.795 . . . . 10.0 115.147 -178.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 43.5 p -81.03 -12.5 59.33 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 114.664 1.357 . . . . 10.0 114.664 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 86.7 mt -69.23 153.0 96.38 Favored Pre-proline 0 CA--C 1.55 0.95 0 CA-C-N 119.661 1.118 . . . . 10.0 111.741 178.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -52.79 133.6 51.29 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 123.36 2.707 . . . . 10.0 112.882 178.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -56.98 -40.81 77.23 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.201 0.6 . . . . 10.0 112.31 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -64.99 -35.4 81.06 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.617 0.767 . . . . 10.0 112.922 177.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -69.74 -47.54 62.65 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 121.47 -0.768 . . . . 10.0 110.988 177.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 88.5 t -61.12 -46.94 95.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 123.544 0.738 . . . . 10.0 110.054 177.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -61.44 -39.63 91.53 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.573 0.749 . . . . 10.0 112.314 177.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 75.3 m -60.85 -44.21 97.29 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 118.734 0.697 . . . . 10.0 112.219 178.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 66.1 mt -65.41 -45.58 92.63 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 CA-C-N 118.675 0.671 . . . . 10.0 110.101 177.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 97.3 mt -60.54 -36.6 78.82 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 121.301 -0.874 . . . . 10.0 111.907 177.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.66 -10.96 60.41 Favored 'General case' 0 CA--C 1.55 0.947 0 N-CA-C 114.439 1.274 . . . . 10.0 114.439 177.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -121.05 -19.94 7.0 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 114.491 1.293 . . . . 10.0 114.491 -178.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -136.41 -14.81 1.7 Allowed 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 114.671 1.359 . . . . 10.0 114.671 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.75 -8.08 30.47 Favored Glycine 0 CA--C 1.536 1.405 0 C-N-CA 124.771 1.177 . . . . 10.0 115.831 178.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -156.9 169.78 23.99 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.156 1.383 . . . . 10.0 112.144 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.3 mt -132.85 136.46 55.62 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 C-N-CA 127.354 2.262 . . . . 10.0 108.404 -178.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -119.49 106.94 12.72 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 126.216 1.806 . . . . 10.0 108.449 178.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 26.3 ptm -139.93 157.56 45.49 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 114.585 1.328 . . . . 10.0 114.585 -176.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -94.42 141.87 28.09 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.929 1.692 . . . . 10.0 112.864 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 48.7 t -58.48 126.75 28.9 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.889 1.676 . . . . 10.0 110.823 176.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -63.15 -12.66 29.22 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 114.334 1.235 . . . . 10.0 114.334 -179.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -102.13 -32.29 10.19 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 114.961 1.467 . . . . 10.0 114.961 -177.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 26.5 p -138.81 -2.13 1.75 Allowed 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 116.798 2.147 . . . . 10.0 116.798 -176.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 78.78 -1.91 71.08 Favored Glycine 0 CA--C 1.539 1.556 0 N-CA-C 116.462 1.345 . . . . 10.0 116.462 177.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 -65.71 133.93 52.11 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 119.24 1.52 . . . . 10.0 110.97 178.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -82.44 151.16 26.68 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 113.67 0.989 . . . . 10.0 113.67 -177.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -149.7 156.52 42.01 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 126.99 2.116 . . . . 10.0 109.28 178.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 80.4 mt -112.67 141.85 45.97 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.58 0.752 . . . . 10.0 110.212 178.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -135.41 133.62 38.84 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 125.024 1.33 . . . . 10.0 110.44 -179.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 24.7 p30 -121.91 175.6 6.22 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.779 1.232 . . . . 10.0 111.416 177.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.58 -40.93 72.63 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 113.861 1.06 . . . . 10.0 113.861 -178.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 33.8 mmt -70.6 -39.52 73.77 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.436 0.694 . . . . 10.0 112.239 178.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -66.59 -43.31 85.25 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 121.466 -0.772 . . . . 10.0 110.949 177.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 66.1 mt -63.33 -35.73 73.35 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 C-N-CA 124.82 1.248 . . . . 10.0 110.116 175.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.48 -36.42 84.15 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 121.59 -0.694 . . . . 10.0 111.672 176.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -70.47 -41.84 72.22 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 121.371 -0.831 . . . . 10.0 110.477 175.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 64.6 mt -59.4 -42.72 88.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 124.197 0.999 . . . . 10.0 110.294 176.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 93.2 mtt-85 -65.36 -10.49 33.57 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 125.95 1.7 . . . . 10.0 114.202 176.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 50.8 m-80 -116.51 12.7 15.19 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 126.549 1.94 . . . . 10.0 111.972 177.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -135.64 -30.37 1.0 Allowed 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.436 1.495 . . . . 10.0 113.001 179.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -105.66 22.3 15.76 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 125.889 1.676 . . . . 10.0 112.834 178.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 68.3 m . . . . . 0 C--O 1.253 1.258 0 C-N-CA 126.973 2.109 . . . . 10.0 111.831 -178.897 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.9 ttm . . . . . 0 N--CA 1.486 1.337 0 N-CA-C 110.203 -0.295 . . . . 10.0 110.203 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -149.62 140.37 22.68 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.145 1.378 . . . . 10.0 110.533 178.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.5 m -87.93 145.62 7.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 124.771 1.229 . . . . 10.0 112.31 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -83.67 28.08 0.59 Allowed 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.626 1.57 . . . . 10.0 113.194 179.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -151.15 150.72 30.97 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 126.781 2.032 . . . . 10.0 110.001 -179.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 68.0 mmtt -141.63 161.38 38.07 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.648 1.579 . . . . 10.0 111.072 -178.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 41.9 t 61.98 166.17 0.1 Allowed 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 128.319 2.648 . . . . 10.0 113.261 -177.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.0 p -84.26 -17.49 39.54 Favored 'General case' 0 N--CA 1.478 0.927 0 O-C-N 120.913 -1.117 . . . . 10.0 111.043 175.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 67.6 m -82.47 -161.63 0.49 Allowed 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 127.388 2.275 . . . . 10.0 111.005 175.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.1 m -138.7 167.37 22.12 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 127.153 2.181 . . . . 10.0 108.925 176.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.6 mtp-105 -54.66 -32.92 59.95 Favored 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 112.822 0.675 . . . . 10.0 112.822 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -56.67 -38.4 72.16 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.86 1.664 . . . . 10.0 113.232 178.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.8 mmt85 -67.13 -45.53 76.86 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.768 0.827 . . . . 10.0 111.868 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 14.3 t -68.94 -39.45 79.57 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.174 0.989 . . . . 10.0 111.461 175.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.64 -41.42 97.48 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.587 1.155 . . . . 10.0 112.242 178.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -60.47 -35.48 75.98 Favored 'General case' 0 CA--C 1.541 0.635 0 CA-C-N 119.002 0.819 . . . . 10.0 112.561 178.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.71 -33.77 76.37 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 123.684 0.794 . . . . 10.0 112.201 175.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.0 tp -76.33 -43.22 42.05 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.629 1.572 . . . . 10.0 110.824 176.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.6 ttmt -51.2 -39.91 57.53 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 127.612 2.365 . . . . 10.0 114.184 178.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 42.7 p -73.83 -14.75 61.14 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 114.416 1.265 . . . . 10.0 114.416 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 85.0 mt -68.68 149.3 97.99 Favored Pre-proline 0 CA--C 1.546 0.817 0 CA-C-N 119.546 1.066 . . . . 10.0 110.786 177.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -53.19 135.91 60.77 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 123.233 2.622 . . . . 10.0 112.963 179.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -56.27 -42.27 77.18 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.45 0.7 . . . . 10.0 112.204 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -65.54 -36.35 83.56 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.113 0.965 . . . . 10.0 112.564 177.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -69.55 -44.73 70.31 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.347 -0.845 . . . . 10.0 110.805 177.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 65.3 t -61.05 -47.61 92.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 123.888 0.875 . . . . 10.0 109.841 175.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -60.17 -38.57 83.59 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.941 0.896 . . . . 10.0 112.354 176.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.6 t -59.77 -43.16 94.47 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.665 0.786 . . . . 10.0 111.933 177.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 71.9 mt -66.96 -46.94 83.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 O-C-N 121.507 -0.746 . . . . 10.0 109.965 176.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 97.3 mt -60.05 -34.28 73.21 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.387 -0.821 . . . . 10.0 112.56 178.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.9 -11.48 56.27 Favored 'General case' 0 CA--C 1.549 0.934 0 N-CA-C 114.191 1.182 . . . . 10.0 114.191 177.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -121.75 -20.13 6.55 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 114.182 1.179 . . . . 10.0 114.182 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -131.13 -14.37 3.42 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 115.361 1.615 . . . . 10.0 115.361 -178.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 71.08 -10.14 3.49 Favored Glycine 0 CA--C 1.541 1.693 0 C-N-CA 125.107 1.337 . . . . 10.0 116.085 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -156.78 166.08 34.4 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 126.761 2.024 . . . . 10.0 111.051 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 58.5 mt -129.6 136.26 59.6 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 C-N-CA 125.933 1.693 . . . . 10.0 110.218 -176.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -100.45 94.42 6.14 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.153 1.781 . . . . 10.0 108.169 176.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 39.5 tpp -101.27 153.19 19.85 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.154 1.381 . . . . 10.0 111.841 -176.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 67.1 m-70 -116.2 139.04 50.76 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.05 0.94 . . . . 10.0 112.115 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 40.5 t -51.67 114.86 1.39 Allowed 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 127.221 2.208 . . . . 10.0 110.254 177.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -63.64 -13.31 41.22 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 113.143 0.794 . . . . 10.0 113.143 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -99.49 -37.38 9.21 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 126.292 1.837 . . . . 10.0 114.009 -178.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 9.6 m -129.46 -11.88 4.49 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 116.766 2.136 . . . . 10.0 116.766 -173.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 82.89 -6.22 71.66 Favored Glycine 0 CA--C 1.539 1.563 0 C-N-CA 124.913 1.244 . . . . 10.0 115.983 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -62.63 143.97 56.74 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 119.447 1.623 . . . . 10.0 111.91 178.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 9.1 p-80 -82.78 151.52 26.08 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 113.899 1.074 . . . . 10.0 113.899 -177.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -149.86 143.84 25.57 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 127.164 2.185 . . . . 10.0 108.081 178.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 80.8 mt -106.6 140.44 39.47 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 122.023 -0.423 . . . . 10.0 111.395 -179.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -136.15 121.99 19.91 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.657 1.583 . . . . 10.0 110.629 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 22.1 p30 -97.86 170.42 8.97 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.595 0.758 . . . . 10.0 111.592 177.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.07 -40.58 70.51 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 113.797 1.036 . . . . 10.0 113.797 -177.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 91.9 mmm -70.62 -37.89 73.88 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.251 0.62 . . . . 10.0 112.49 178.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -71.12 -42.23 69.49 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 121.356 -0.84 . . . . 10.0 111.166 178.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 78.0 mt -60.39 -37.64 75.05 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 C-N-CA 124.879 1.271 . . . . 10.0 110.4 175.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.24 -40.07 92.66 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 122.556 0.343 . . . . 10.0 111.688 178.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -72.66 -43.22 63.45 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 121.613 -0.679 . . . . 10.0 111.228 176.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 54.3 mt -58.01 -41.02 79.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 124.362 1.065 . . . . 10.0 111.879 178.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.6 ttt85 -81.74 -15.76 53.31 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 114.766 1.395 . . . . 10.0 114.766 -178.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 65.9 m-80 -110.88 -5.52 14.88 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 114.853 1.427 . . . . 10.0 114.853 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -131.37 -2.57 3.88 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.729 1.612 . . . . 10.0 112.878 177.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 60.81 7.54 1.49 Allowed 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 127.45 2.3 . . . . 10.0 116.562 178.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 41.4 m . . . . . 0 C--O 1.252 1.191 0 C-N-CA 126.592 1.957 . . . . 10.0 112.1 179.501 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.0 mtt . . . . . 0 N--CA 1.488 1.448 0 N-CA-C 110.288 -0.264 . . . . 10.0 110.288 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -150.53 154.73 38.13 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.046 1.338 . . . . 10.0 111.67 -179.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.3 p -151.64 151.42 12.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 125.307 1.443 . . . . 10.0 111.172 179.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -148.91 139.87 22.94 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.406 1.482 . . . . 10.0 110.341 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -62.33 163.21 8.78 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.033 1.333 . . . . 10.0 113.432 178.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.39 14.67 3.78 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 115.167 1.543 . . . . 10.0 115.167 -179.393 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.3 t -147.15 131.34 17.39 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 126.715 2.006 . . . . 10.0 110.393 178.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 56.9 m -85.68 -29.08 24.27 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.803 1.641 . . . . 10.0 112.507 -178.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 31.6 p -100.21 -119.78 0.16 Allowed 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 125.352 1.461 . . . . 10.0 112.654 -178.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.3 t -159.31 166.08 32.0 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 125.826 1.65 . . . . 10.0 112.544 -177.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 73.9 ttt-85 -54.91 -30.67 58.96 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 126.306 1.842 . . . . 10.0 111.594 174.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -57.11 -39.11 74.45 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.415 1.486 . . . . 10.0 112.874 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 51.8 mtp85 -69.64 -39.95 76.79 Favored 'General case' 0 N--CA 1.477 0.92 0 O-C-N 121.317 -0.864 . . . . 10.0 111.365 176.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 11.6 t -66.29 -39.48 89.41 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.549 0.74 . . . . 10.0 111.43 176.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.55 -47.42 85.6 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.074 1.35 . . . . 10.0 111.014 177.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -61.45 -38.32 86.77 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.767 0.827 . . . . 10.0 111.894 177.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.73 -33.53 75.84 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.818 0.847 . . . . 10.0 113.147 176.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.4 tp -76.14 -45.33 34.14 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.297 1.039 . . . . 10.0 111.088 177.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.2 pttt -57.26 -28.89 63.37 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 115.102 1.519 . . . . 10.0 115.102 -176.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 41.1 p -76.96 -11.44 59.81 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 114.328 1.233 . . . . 10.0 114.328 -179.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 77.0 mt -69.06 154.91 94.55 Favored Pre-proline 0 CA--C 1.551 0.997 0 CA-C-N 119.243 0.929 . . . . 10.0 112.43 178.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -50.2 132.83 34.72 Favored 'Trans proline' 0 C--N 1.353 0.775 0 C-N-CA 124.283 3.322 . . . . 10.0 114.257 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 -57.28 -39.84 76.52 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.096 0.958 . . . . 10.0 113.486 -178.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -64.93 -41.76 95.25 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.133 0.573 . . . . 10.0 112.315 179.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -67.62 -43.68 79.82 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 121.372 -0.83 . . . . 10.0 111.287 178.055 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 55.2 t -60.41 -48.78 86.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 123.774 0.83 . . . . 10.0 110.139 176.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -61.73 -42.5 99.04 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 112.826 0.676 . . . . 10.0 112.826 178.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.6 m -59.7 -42.96 94.19 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.096 0.862 . . . . 10.0 113.068 179.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 64.6 mt -66.79 -47.11 83.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 CA-C-N 119.04 0.836 . . . . 10.0 110.144 178.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 91.0 mt -60.41 -37.33 80.51 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.417 -0.802 . . . . 10.0 112.328 178.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.39 -10.83 55.05 Favored 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 114.745 1.387 . . . . 10.0 114.745 178.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -124.46 -22.78 4.58 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 114.443 1.275 . . . . 10.0 114.443 -179.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -127.45 -15.46 5.09 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 114.799 1.407 . . . . 10.0 114.799 -179.075 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 71.01 0.8 36.66 Favored Glycine 0 CA--C 1.539 1.558 0 CA-C-N 119.401 1.0 . . . . 10.0 115.445 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -152.48 158.96 43.33 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 125.364 1.466 . . . . 10.0 112.963 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 70.7 mt -134.44 136.48 52.8 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 C-N-CA 126.713 2.005 . . . . 10.0 107.909 175.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -110.32 134.77 51.95 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.982 1.313 . . . . 10.0 108.524 176.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 45.8 tpp -131.21 147.87 52.64 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.159 0.984 . . . . 10.0 111.299 -177.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 56.7 t-80 -94.93 137.37 34.08 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.907 1.283 . . . . 10.0 113.009 -177.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 49.0 t -81.83 84.81 6.77 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 126.995 2.118 . . . . 10.0 108.794 175.165 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -60.29 -20.38 58.9 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 121.481 -0.762 . . . . 10.0 112.667 179.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -68.09 -36.21 79.41 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.875 1.67 . . . . 10.0 113.764 177.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 11.8 m -130.12 -29.68 2.04 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 116.517 2.043 . . . . 10.0 116.517 -173.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 100.95 47.06 1.65 Allowed Glycine 0 CA--C 1.536 1.347 0 CA-C-N 119.088 0.858 . . . . 10.0 112.951 -178.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -132.73 -177.85 4.68 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 126.472 1.909 . . . . 10.0 110.607 -178.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -142.17 160.43 40.25 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 120.517 -1.364 . . . . 10.0 111.975 177.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -148.65 148.22 29.83 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 125.476 1.51 . . . . 10.0 108.737 -178.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -114.21 144.28 43.46 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.158 0.983 . . . . 10.0 112.625 -179.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -135.91 152.88 51.46 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 126.699 2.0 . . . . 10.0 111.266 -174.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 26.9 m120 -121.53 171.99 8.41 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.334 1.454 . . . . 10.0 110.696 178.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.45 -43.55 75.55 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.597 0.962 . . . . 10.0 113.597 -178.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.07 -37.14 75.4 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.324 0.649 . . . . 10.0 112.643 177.265 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -69.74 -42.95 73.27 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 119.18 0.9 . . . . 10.0 110.792 178.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 87.9 mt -61.17 -38.08 78.9 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 C-N-CA 124.738 1.215 . . . . 10.0 110.044 175.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.19 -40.76 98.42 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.828 -0.545 . . . . 10.0 111.609 176.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -71.05 -39.52 72.21 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 121.614 -0.679 . . . . 10.0 111.303 176.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 44.5 mt -58.29 -39.19 72.9 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.747 0 O-C-N 121.203 -0.936 . . . . 10.0 109.937 174.01 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 18.1 mmt85 -73.41 -13.82 61.15 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 115.802 1.778 . . . . 10.0 115.802 177.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -130.13 -11.2 4.2 Favored 'General case' 0 N--CA 1.484 1.229 0 N-CA-C 116.662 2.097 . . . . 10.0 116.662 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -141.58 -8.04 0.97 Allowed 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 125.728 1.611 . . . . 10.0 113.571 -179.213 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 51.92 24.2 2.47 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 126.037 1.735 . . . . 10.0 115.565 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 37.9 m . . . . . 0 C--O 1.252 1.193 0 C-N-CA 126.95 2.1 . . . . 10.0 111.754 -179.38 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.1 ttt . . . . . 0 N--CA 1.486 1.341 0 N-CA-C 110.233 -0.284 . . . . 10.0 110.233 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -77.09 61.46 2.03 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 125.309 1.443 . . . . 10.0 112.35 178.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 29.4 m -61.59 152.28 6.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 125.283 1.433 . . . . 10.0 113.559 -178.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -97.23 31.35 2.49 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.871 1.668 . . . . 10.0 111.835 178.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -59.59 135.1 57.57 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.833 1.653 . . . . 10.0 113.653 -177.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 19.5 pttm -170.71 177.17 3.98 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 128.41 2.684 . . . . 10.0 109.719 -179.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.9 t -73.81 53.35 0.45 Allowed 'General case' 0 CA--C 1.556 1.173 0 C-N-CA 125.351 1.46 . . . . 10.0 111.576 174.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.5 t -63.58 -26.29 68.62 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 120.53 -1.356 . . . . 10.0 111.543 178.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 26.7 p -64.47 -34.41 78.13 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 126.63 1.972 . . . . 10.0 111.997 175.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.7 t 52.07 -168.45 0.04 OUTLIER 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 127.461 2.305 . . . . 10.0 115.52 175.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 54.5 ttt85 -55.57 -34.48 64.8 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.575 1.55 . . . . 10.0 111.039 174.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -58.61 -48.6 80.45 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.753 0.821 . . . . 10.0 112.891 -179.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 -76.28 -32.6 58.88 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 121.197 -0.939 . . . . 10.0 112.135 175.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 6.4 t -61.22 -38.47 86.71 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 118.944 0.793 . . . . 10.0 110.701 174.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.56 -39.13 84.94 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.466 1.106 . . . . 10.0 110.563 173.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -61.36 -35.1 76.52 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.323 1.049 . . . . 10.0 111.753 175.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.51 -33.46 75.73 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 124.35 1.06 . . . . 10.0 111.874 174.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.3 tp -76.07 -43.1 45.19 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.822 1.649 . . . . 10.0 110.645 176.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 27.3 ttmt -49.11 -37.09 20.54 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 127.993 2.517 . . . . 10.0 114.309 178.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 52.1 p -77.68 -13.1 60.0 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 114.495 1.295 . . . . 10.0 114.495 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 94.5 mt -71.03 151.5 94.93 Favored Pre-proline 0 CA--C 1.548 0.901 0 CA-C-N 119.592 1.087 . . . . 10.0 111.446 177.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -53.67 132.18 47.83 Favored 'Trans proline' 0 C--N 1.351 0.706 0 C-N-CA 123.323 2.682 . . . . 10.0 112.993 178.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -55.27 -43.64 74.91 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.975 0.91 . . . . 10.0 112.746 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -63.59 -37.99 89.41 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.931 0.892 . . . . 10.0 112.45 178.434 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -69.36 -45.1 70.18 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 121.256 -0.902 . . . . 10.0 110.982 177.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 62.5 t -59.39 -48.77 85.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 123.858 0.863 . . . . 10.0 110.076 176.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -62.15 -39.75 93.68 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.804 0.842 . . . . 10.0 112.441 177.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.4 t -59.88 -45.67 91.75 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.017 0.927 . . . . 10.0 112.077 178.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 75.1 mt -63.46 -44.96 99.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 O-C-N 121.672 -0.643 . . . . 10.0 110.557 177.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 92.5 mt -60.13 -38.7 83.86 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.363 -0.836 . . . . 10.0 111.813 176.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.57 -10.21 33.33 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 114.799 1.407 . . . . 10.0 114.799 178.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -124.77 -12.79 7.07 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 115.061 1.504 . . . . 10.0 115.061 179.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -143.59 -13.83 0.67 Allowed 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 115.676 1.732 . . . . 10.0 115.676 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 71.89 -3.42 20.3 Favored Glycine 0 CA--C 1.539 1.589 0 N-CA-C 116.404 1.322 . . . . 10.0 116.404 178.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -151.42 163.09 39.75 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 119.172 1.486 . . . . 10.0 113.25 179.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.6 mt -138.12 136.24 44.81 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 C-N-CA 127.279 2.232 . . . . 10.0 108.821 -178.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -104.69 132.18 51.24 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.195 0.998 . . . . 10.0 108.858 174.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 90.8 mmm -131.06 153.79 48.93 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 125.848 1.659 . . . . 10.0 110.637 -176.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 19.9 p-80 -128.63 142.01 51.17 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 123.686 0.795 . . . . 10.0 112.641 179.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 87.7 m -64.22 109.03 1.73 Allowed 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 125.845 1.658 . . . . 10.0 110.9 177.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -62.05 -23.1 66.27 Favored 'General case' 0 CA--C 1.553 1.063 0 CA-C-O 122.171 0.986 . . . . 10.0 110.663 172.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -66.56 -43.46 84.99 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 129.776 3.231 . . . . 10.0 114.95 179.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 31.8 p -141.5 -14.74 0.85 Allowed 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 117.759 2.503 . . . . 10.0 117.759 -173.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 96.31 -3.05 63.63 Favored Glycine 0 CA--C 1.539 1.541 0 C-N-CA 124.728 1.156 . . . . 10.0 115.797 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -66.42 165.61 13.97 Favored 'General case' 0 CA--C 1.553 1.086 0 CA-C-N 119.372 1.586 . . . . 10.0 111.379 177.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -124.71 153.73 41.91 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.441 1.497 . . . . 10.0 112.373 -179.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -151.19 148.05 27.76 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 126.313 1.845 . . . . 10.0 108.557 177.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.4 pp -114.14 142.61 46.01 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 123.56 0.744 . . . . 10.0 110.598 178.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -129.38 138.44 51.52 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 125.46 1.504 . . . . 10.0 109.909 -177.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.6 m-80 -107.03 174.82 5.72 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.587 1.555 . . . . 10.0 111.248 -176.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.18 -37.49 67.12 Favored 'General case' 0 CA--C 1.547 0.845 0 O-C-N 120.981 -1.074 . . . . 10.0 111.961 177.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 24.6 ptp -64.9 -37.26 87.05 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.084 0.953 . . . . 10.0 112.634 174.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -65.99 -47.79 73.35 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 121.269 -0.894 . . . . 10.0 110.487 176.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.8 mp -59.96 -40.22 82.38 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 C-N-CA 123.52 0.728 . . . . 10.0 110.387 176.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.96 -37.73 80.44 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.567 0.747 . . . . 10.0 111.997 176.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -73.56 -41.05 63.44 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 121.052 -1.03 . . . . 10.0 111.36 174.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 63.7 mt -60.54 -43.96 95.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 124.04 0.936 . . . . 10.0 111.408 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -66.02 -31.47 72.38 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-N 119.781 1.173 . . . . 10.0 113.277 178.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 51.6 m-80 -81.97 1.78 33.85 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 124.656 1.183 . . . . 10.0 113.346 175.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -120.91 -27.13 5.06 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.859 1.664 . . . . 10.0 112.297 178.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.62 -9.94 58.13 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 125.592 1.557 . . . . 10.0 114.123 176.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.0 m . . . . . 0 C--O 1.252 1.204 0 C-N-CA 127.998 2.519 . . . . 10.0 114.779 -179.189 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.574 0.225 . . . . 10.0 111.322 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -146.65 137.17 23.84 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.135 1.374 . . . . 10.0 110.776 178.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.8 p -156.06 150.6 10.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 124.895 1.278 . . . . 10.0 111.275 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.56 166.63 29.67 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.216 1.806 . . . . 10.0 109.829 178.244 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -125.61 20.12 7.92 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 125.638 1.575 . . . . 10.0 112.802 -177.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -24.77 112.84 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 130.702 3.601 . . . . 10.0 115.78 -178.12 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.434 ' CB ' HD22 ' A' ' 45' ' ' ASN . 4.7 t -72.01 171.56 11.63 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 126.92 2.088 . . . . 10.0 112.81 176.53 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 27.3 p -77.74 -15.26 59.25 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.133 0.973 . . . . 10.0 112.246 175.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 22.1 p -90.5 177.2 6.44 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 125.462 1.505 . . . . 10.0 112.65 177.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.9 m -73.13 136.85 44.89 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 114.14 1.163 . . . . 10.0 114.14 -178.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 39.7 ttt180 -55.19 -39.84 70.06 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 125.951 1.701 . . . . 10.0 112.146 175.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -55.05 -45.51 75.27 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.809 1.644 . . . . 10.0 112.469 -179.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -60.24 -43.34 96.18 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.056 0.942 . . . . 10.0 112.374 178.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 12.2 t -72.71 -41.46 65.22 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-O 121.084 0.469 . . . . 10.0 111.935 176.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.35 -39.97 92.55 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.966 0.906 . . . . 10.0 111.966 178.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -57.81 -40.34 79.74 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.093 0.957 . . . . 10.0 112.335 177.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.5 -33.92 74.62 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 123.777 0.831 . . . . 10.0 112.471 176.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.4 tp -76.67 -45.34 30.11 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 125.054 1.342 . . . . 10.0 109.978 174.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.98 -32.52 54.25 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 126.859 2.064 . . . . 10.0 115.627 -178.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 37.3 p -68.81 -19.72 64.29 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 113.848 1.055 . . . . 10.0 113.848 178.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 87.9 mt -72.02 149.48 92.28 Favored Pre-proline 0 CA--C 1.549 0.93 0 C-N-CA 123.924 0.89 . . . . 10.0 110.743 176.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -54.16 136.53 68.14 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 122.913 2.409 . . . . 10.0 112.296 178.038 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -56.82 -41.38 77.72 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 112.805 0.669 . . . . 10.0 112.805 -179.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -61.57 -38.72 88.55 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.754 0.822 . . . . 10.0 112.324 177.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -67.76 -45.64 74.33 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 121.554 -0.716 . . . . 10.0 110.585 177.119 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 72.7 t -60.7 -47.87 91.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 123.983 0.913 . . . . 10.0 110.728 177.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -64.03 -34.8 78.83 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.568 0.747 . . . . 10.0 112.93 179.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 31.3 p -60.47 -35.7 76.5 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 112.964 0.728 . . . . 10.0 112.964 178.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 62.7 mt -68.71 -44.09 82.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 C-N-CA 123.5 0.72 . . . . 10.0 109.676 176.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 87.0 mt -61.83 -33.78 74.76 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 121.165 -0.96 . . . . 10.0 111.677 176.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.92 -5.71 49.59 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 124.967 1.307 . . . . 10.0 114.333 176.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -126.37 -29.82 2.93 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 114.38 1.252 . . . . 10.0 114.38 -176.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -128.19 -19.06 3.98 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.954 1.701 . . . . 10.0 113.899 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 79.26 -5.51 59.51 Favored Glycine 0 CA--C 1.537 1.415 0 N-CA-C 115.887 1.115 . . . . 10.0 115.887 178.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -154.14 161.13 42.08 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.831 1.252 . . . . 10.0 112.375 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 79.2 mt -129.79 136.85 58.11 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 C-N-CA 127.336 2.254 . . . . 10.0 109.057 -179.04 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -113.48 132.36 55.7 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.643 1.577 . . . . 10.0 109.269 177.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 22.7 mmt -136.01 149.01 48.66 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.048 1.339 . . . . 10.0 111.218 -179.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -94.96 137.64 33.75 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.107 0.963 . . . . 10.0 110.977 177.105 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 51.1 t -77.07 92.06 3.72 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 126.017 1.727 . . . . 10.0 109.288 177.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -60.76 -20.85 62.23 Favored 'General case' 0 CA--C 1.549 0.908 0 O-C-N 121.139 -0.976 . . . . 10.0 112.813 179.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -74.77 -41.23 60.43 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.771 2.028 . . . . 10.0 114.294 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.8 m -123.43 -19.07 6.01 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 115.916 1.821 . . . . 10.0 115.916 -174.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 97.26 -0.17 60.01 Favored Glycine 0 CA--C 1.541 1.707 0 C-N-CA 125.592 1.568 . . . . 10.0 114.128 -177.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.434 HD22 ' CB ' ' A' ' 7' ' ' CYS . 63.5 t30 -79.2 -164.96 0.69 Allowed 'General case' 0 CA--C 1.558 1.254 0 C-N-CA 126.825 2.05 . . . . 10.0 112.86 179.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -133.82 163.71 28.87 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 127.419 2.288 . . . . 10.0 111.065 177.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -147.06 142.89 27.91 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 126.849 2.06 . . . . 10.0 107.795 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 91.1 mt -114.63 141.76 47.36 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.169 0.988 . . . . 10.0 110.05 177.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -135.4 141.76 45.54 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.257 1.023 . . . . 10.0 112.002 -178.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -126.6 172.83 9.93 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 126.488 1.915 . . . . 10.0 109.796 176.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.21 -40.1 70.41 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.622 1.169 . . . . 10.0 113.222 179.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 5.0 ppp? -65.84 -37.35 85.97 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 118.978 0.808 . . . . 10.0 112.651 177.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -72.21 -46.88 54.38 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.334 1.054 . . . . 10.0 110.769 177.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 65.7 mt -60.4 -33.14 53.02 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 C-N-CA 126.322 1.849 . . . . 10.0 111.696 178.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.83 -34.48 67.79 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 118.634 0.652 . . . . 10.0 111.894 174.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 65.5 mt-10 -73.83 -44.41 55.76 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 121.391 -0.818 . . . . 10.0 110.526 174.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 96.4 mt -58.23 -36.94 59.95 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 125.064 1.345 . . . . 10.0 111.438 178.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 82.5 mtt180 -65.95 -16.27 63.73 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 126.274 1.83 . . . . 10.0 112.735 175.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 66.1 m-80 -120.23 25.26 9.97 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 127.805 2.442 . . . . 10.0 110.899 177.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 63.8 t30 47.66 34.7 3.84 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 127.661 2.384 . . . . 10.0 114.379 -179.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 50.25 33.39 7.25 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 126.631 1.972 . . . . 10.0 114.505 -177.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 68.3 m . . . . . 0 C--O 1.254 1.298 0 C-N-CA 126.212 1.805 . . . . 10.0 113.772 179.974 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.9 ptt? . . . . . 0 N--CA 1.488 1.44 0 CA-C-O 120.513 0.197 . . . . 10.0 111.413 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -144.77 139.22 27.69 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.306 1.443 . . . . 10.0 110.823 179.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.2 p -156.03 152.12 8.82 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 125.292 1.437 . . . . 10.0 110.972 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -149.98 134.12 17.13 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.114 1.366 . . . . 10.0 110.368 179.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 37.7 p90 -72.15 153.18 41.8 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.584 0.754 . . . . 10.0 111.675 177.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -135.35 155.81 49.97 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.917 1.687 . . . . 10.0 110.804 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -69.29 151.0 46.76 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.456 1.502 . . . . 10.0 111.875 178.413 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 76.3 p -89.82 -10.47 45.3 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 121.749 -0.594 . . . . 10.0 112.051 174.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 26.3 p -123.86 -119.04 0.28 Allowed 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 127.689 2.396 . . . . 10.0 110.78 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.0 m -160.66 164.15 31.97 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 125.068 1.347 . . . . 10.0 113.834 -178.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 58.7 ttt85 -54.83 -33.28 61.46 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 126.341 1.856 . . . . 10.0 113.072 178.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -56.26 -38.23 70.86 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.863 1.265 . . . . 10.0 112.526 -179.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 64.0 mtp85 -68.13 -41.27 81.92 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 121.684 -0.635 . . . . 10.0 111.421 176.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 8.2 t -66.53 -39.94 88.86 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.439 0.696 . . . . 10.0 111.202 176.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.16 -44.29 95.92 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.794 1.238 . . . . 10.0 110.913 176.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -59.55 -41.57 90.4 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.878 0.871 . . . . 10.0 111.621 176.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.68 -34.23 77.73 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 112.821 0.675 . . . . 10.0 112.821 176.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 19.4 tp -77.94 -46.24 21.73 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.748 1.219 . . . . 10.0 112.099 177.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.9 pttp -65.67 -24.54 67.03 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 114.876 1.435 . . . . 10.0 114.876 -177.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.5 p -78.32 -11.91 59.97 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.004 0.922 . . . . 10.0 113.299 178.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 91.9 mt -73.58 158.95 85.68 Favored Pre-proline 0 CA--C 1.55 0.946 0 C-N-CA 124.533 1.133 . . . . 10.0 110.286 173.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -52.09 123.92 13.61 Favored 'Trans proline' 0 CA--C 1.538 0.702 0 C-N-CA 123.14 2.56 . . . . 10.0 111.709 176.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -55.45 -40.56 71.72 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 113.194 0.813 . . . . 10.0 113.194 -177.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -62.35 -35.91 80.58 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.936 0.894 . . . . 10.0 112.77 177.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -68.41 -41.54 80.28 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 121.211 -0.931 . . . . 10.0 110.628 177.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 96.1 t -64.26 -47.97 87.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 124.19 0.996 . . . . 10.0 109.722 175.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -61.34 -35.53 77.66 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.231 1.012 . . . . 10.0 113.035 178.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 74.1 m -59.88 -39.7 86.17 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.609 0.764 . . . . 10.0 112.31 178.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 53.9 mt -68.75 -44.81 81.92 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 CA-C-N 118.521 0.6 . . . . 10.0 109.783 176.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 98.4 mt -59.53 -37.69 79.04 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.472 -0.767 . . . . 10.0 111.947 177.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.16 -8.71 48.09 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 124.897 1.279 . . . . 10.0 114.421 177.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -125.28 -20.67 4.77 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 114.68 1.363 . . . . 10.0 114.68 -179.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -138.68 -13.87 1.26 Allowed 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 115.174 1.546 . . . . 10.0 115.174 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 75.65 -7.54 25.67 Favored Glycine 0 CA--C 1.539 1.544 0 N-CA-C 116.411 1.324 . . . . 10.0 116.411 178.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -151.44 160.74 43.58 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 119.109 1.454 . . . . 10.0 113.811 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 66.6 mt -138.65 125.73 26.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 C-N-CA 127.128 2.171 . . . . 10.0 109.681 -177.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -92.94 115.92 28.57 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 107.671 -1.233 . . . . 10.0 107.671 173.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 16.9 tpt -107.42 144.6 34.1 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.588 1.155 . . . . 10.0 111.673 -176.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 31.7 t-80 -94.82 132.67 39.37 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.732 1.213 . . . . 10.0 111.896 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 8.9 t -80.9 75.09 7.86 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 126.087 1.755 . . . . 10.0 109.098 176.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -52.57 -21.12 3.52 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 114.623 1.342 . . . . 10.0 114.623 -177.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -66.14 -36.25 82.64 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.943 1.697 . . . . 10.0 114.513 177.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 26.5 p -137.84 -20.93 1.13 Allowed 'General case' 0 CA--C 1.55 0.947 0 N-CA-C 116.847 2.165 . . . . 10.0 116.847 -179.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.82 -4.03 16.94 Favored Glycine 0 CA--C 1.536 1.355 0 CA-C-N 120.176 1.353 . . . . 10.0 116.285 175.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -75.03 -174.09 2.15 Favored 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 124.517 1.127 . . . . 10.0 111.751 178.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 3.8 p80 -143.64 160.91 39.84 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 120.355 -1.466 . . . . 10.0 111.105 176.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -148.99 136.24 20.1 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 125.356 1.463 . . . . 10.0 108.531 -179.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 62.2 tp -95.8 140.94 29.86 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.72 0.808 . . . . 10.0 109.837 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -132.95 141.97 48.62 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 125.864 1.666 . . . . 10.0 109.647 -179.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 25.8 p30 -121.94 174.17 7.06 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.31 1.044 . . . . 10.0 111.513 177.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.52 -38.5 69.32 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 113.691 0.997 . . . . 10.0 113.691 -179.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 21.1 mmt -70.36 -39.51 74.59 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.322 0.649 . . . . 10.0 112.112 179.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -71.88 -42.26 67.03 Favored 'General case' 0 N--CA 1.469 0.502 0 O-C-N 121.517 -0.739 . . . . 10.0 111.589 178.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 71.4 mt -64.48 -33.81 65.4 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 C-N-CA 124.508 1.123 . . . . 10.0 110.517 176.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.09 -35.03 77.44 Favored 'General case' 0 CA--C 1.544 0.748 0 O-C-N 121.658 -0.651 . . . . 10.0 111.933 175.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -73.57 -40.78 63.66 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 121.5 -0.75 . . . . 10.0 110.693 174.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 74.8 mt -58.09 -42.5 83.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 O-C-N 120.764 -1.21 . . . . 10.0 109.932 176.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 74.6 mtt180 -61.41 -17.22 53.2 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 127.014 2.126 . . . . 10.0 115.408 176.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 36.4 p30 -132.97 -0.25 3.41 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 115.955 1.835 . . . . 10.0 115.955 -178.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -133.12 -13.07 2.79 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.45 1.5 . . . . 10.0 113.69 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -126.32 -1.06 6.97 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 113.884 1.068 . . . . 10.0 113.884 178.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 37.5 m . . . . . 0 C--O 1.253 1.239 0 C-N-CA 127.289 2.236 . . . . 10.0 111.593 178.781 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 93.7 mtp . . . . . 0 N--CA 1.487 1.406 0 N-CA-C 110.09 -0.337 . . . . 10.0 110.09 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -152.09 138.86 18.86 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.788 1.235 . . . . 10.0 111.205 179.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 13.6 p -156.61 144.85 11.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 125.042 1.337 . . . . 10.0 110.979 178.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -82.81 85.89 7.0 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.736 1.214 . . . . 10.0 110.482 178.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -58.84 143.76 46.45 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 114.692 1.367 . . . . 10.0 114.692 -176.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 69.2 mmtt -146.86 149.68 33.76 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 128.592 2.757 . . . . 10.0 107.941 177.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.6 t -69.62 158.88 34.46 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-O 122.045 0.926 . . . . 10.0 113.272 177.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.1 t -67.23 -32.7 73.91 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 125.378 1.471 . . . . 10.0 111.749 175.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 31.2 p -85.67 169.09 13.8 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 123.553 0.741 . . . . 10.0 111.379 175.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.0 t -49.73 120.69 4.46 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 116.812 2.153 . . . . 10.0 116.812 -171.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.53 -32.55 72.6 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 127.101 2.161 . . . . 10.0 111.229 173.202 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -59.92 -38.32 82.0 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.201 1.0 . . . . 10.0 112.349 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 85.6 mtt-85 -64.23 -45.56 87.66 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.383 0.673 . . . . 10.0 111.478 178.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 21.4 t -66.48 -40.44 89.31 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 122.833 0.453 . . . . 10.0 112.09 175.186 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.15 -40.92 95.65 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.476 0.71 . . . . 10.0 111.126 178.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -61.0 -38.83 87.45 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.453 -0.779 . . . . 10.0 112.041 175.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.24 -34.09 77.54 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 123.519 0.728 . . . . 10.0 112.187 176.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.2 tp -72.46 -40.21 67.18 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.259 1.424 . . . . 10.0 109.719 174.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.4 ttpp -55.99 -17.22 6.21 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 126.917 2.087 . . . . 10.0 116.214 178.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 76.9 p -110.64 -2.82 16.18 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.748 1.219 . . . . 10.0 114.144 -177.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 90.1 mt -64.07 147.83 96.07 Favored Pre-proline 0 CA--C 1.549 0.926 0 CA-C-O 118.216 -0.897 . . . . 10.0 110.679 175.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -51.24 127.57 22.48 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 123.256 2.638 . . . . 10.0 112.284 179.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -59.74 -37.41 78.89 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 113.327 0.862 . . . . 10.0 113.327 -177.102 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -66.64 -38.77 87.6 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.605 0.762 . . . . 10.0 111.763 176.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -66.58 -45.85 77.9 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.325 -0.859 . . . . 10.0 110.388 176.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 47.0 t -59.23 -45.34 93.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 123.898 0.879 . . . . 10.0 110.322 175.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -60.01 -42.55 94.55 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.419 0.688 . . . . 10.0 112.202 177.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 42.5 m -61.04 -43.26 99.15 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 118.835 0.743 . . . . 10.0 111.911 176.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 79.5 mt -63.48 -46.9 93.91 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 CA-C-N 118.743 0.701 . . . . 10.0 110.075 176.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 63.4 mt -61.17 -33.36 73.31 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 121.176 -0.953 . . . . 10.0 112.746 177.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -74.68 -10.14 59.24 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 114.634 1.346 . . . . 10.0 114.634 177.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -126.51 -25.09 3.49 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 114.821 1.415 . . . . 10.0 114.821 -178.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -129.41 -23.92 2.87 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.286 1.435 . . . . 10.0 113.793 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 68.47 4.98 41.1 Favored Glycine 0 CA--C 1.539 1.564 0 N-CA-C 116.038 1.175 . . . . 10.0 116.038 178.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -151.09 161.6 42.43 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 126.263 1.825 . . . . 10.0 110.211 -179.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 97.2 mt -129.07 136.5 59.49 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 C-N-CA 125.532 1.533 . . . . 10.0 110.599 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -102.63 127.77 49.59 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.885 1.674 . . . . 10.0 106.949 171.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 9.9 tpt -129.16 143.43 50.85 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 124.161 0.984 . . . . 10.0 110.967 -176.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -94.35 139.88 30.52 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.174 0.99 . . . . 10.0 112.156 -177.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 13.3 t -85.04 84.06 7.84 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 126.069 1.748 . . . . 10.0 110.112 177.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -59.74 -13.83 11.81 Favored 'General case' 0 CA--C 1.551 0.992 0 O-C-N 120.947 -1.096 . . . . 10.0 113.937 179.274 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -70.91 -37.82 72.96 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.927 1.691 . . . . 10.0 113.908 177.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 22.3 p -144.89 -8.79 0.62 Allowed 'General case' 0 CA--C 1.553 1.074 0 N-CA-C 117.124 2.268 . . . . 10.0 117.124 -178.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 108.62 -3.0 32.34 Favored Glycine 0 CA--C 1.537 1.442 0 N-CA-C 116.362 1.305 . . . . 10.0 116.362 175.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -77.09 -168.32 1.06 Allowed 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 125.132 1.373 . . . . 10.0 112.965 178.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -141.07 164.11 31.17 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 126.486 1.914 . . . . 10.0 112.354 -177.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -145.21 146.57 31.78 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 125.835 1.654 . . . . 10.0 108.279 178.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 92.5 mt -114.41 140.15 48.92 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.071 0.548 . . . . 10.0 109.567 176.26 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -135.8 127.46 28.99 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.633 1.173 . . . . 10.0 110.326 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -88.55 170.09 11.17 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.642 0.777 . . . . 10.0 110.786 178.336 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.74 -42.73 68.48 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.188 -0.945 . . . . 10.0 113.395 -178.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.7 -36.95 81.59 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 112.679 0.622 . . . . 10.0 112.679 176.513 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -68.09 -45.5 73.58 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.116 0.966 . . . . 10.0 110.313 178.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 57.0 mt -59.3 -41.14 83.22 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 C-N-CA 125.353 1.461 . . . . 10.0 109.931 175.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.28 -45.95 90.99 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 112.889 0.7 . . . . 10.0 112.889 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -70.05 -36.46 75.02 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 119.676 1.125 . . . . 10.0 111.598 177.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 54.3 mt -62.37 -46.57 96.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 O-C-N 121.485 -0.76 . . . . 10.0 110.519 176.192 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.3 ttm180 -72.91 -27.45 61.88 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 115.096 1.517 . . . . 10.0 115.096 -177.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 62.7 m-80 -106.37 -8.18 17.32 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 116.223 1.934 . . . . 10.0 116.223 -177.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 21.3 t30 -149.44 -21.64 0.28 Allowed 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 115.301 1.593 . . . . 10.0 115.301 179.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 55.67 12.47 0.82 Allowed 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 126.761 2.024 . . . . 10.0 116.109 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 62.9 p . . . . . 0 C--O 1.254 1.319 0 C-N-CA 127.373 2.269 . . . . 10.0 112.312 179.57 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.486 1.356 0 N-CA-C 110.137 -0.32 . . . . 10.0 110.137 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -67.51 166.7 14.25 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 124.211 1.004 . . . . 10.0 112.913 179.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 29.7 m -131.39 167.11 26.99 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 125.964 1.706 . . . . 10.0 112.298 -179.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -134.27 32.26 3.42 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.03 1.332 . . . . 10.0 111.981 -177.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 33.4 p90 -151.15 161.44 42.72 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.958 1.703 . . . . 10.0 112.165 -178.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.11 176.12 13.08 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 127.161 2.185 . . . . 10.0 110.597 177.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 37.1 t -57.12 140.12 50.36 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.754 1.222 . . . . 10.0 113.939 -178.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 62.6 p -123.52 -12.72 7.69 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.38 1.472 . . . . 10.0 114.111 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 24.3 p -100.1 -10.01 21.97 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 125.363 1.465 . . . . 10.0 113.828 179.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 24.9 m 63.66 177.54 0.16 Allowed 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 127.385 2.274 . . . . 10.0 115.481 178.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.3 ttp180 -54.93 -30.21 58.07 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.502 1.521 . . . . 10.0 114.165 -177.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -55.03 -39.83 69.56 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.552 1.141 . . . . 10.0 113.295 -178.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.3 mmm180 -70.35 -37.11 74.58 Favored 'General case' 0 N--CA 1.478 0.972 0 O-C-N 121.117 -0.989 . . . . 10.0 112.147 175.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 7.1 t -67.43 -38.06 83.98 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 123.961 0.904 . . . . 10.0 111.329 176.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.06 -47.32 85.21 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.355 1.462 . . . . 10.0 111.088 176.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -60.59 -35.8 77.0 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.075 0.95 . . . . 10.0 111.87 177.031 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.71 -33.82 69.07 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 113.056 0.762 . . . . 10.0 113.056 176.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.4 tp -76.43 -46.05 28.8 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.525 1.13 . . . . 10.0 111.83 178.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.64 -22.28 66.93 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 115.724 1.749 . . . . 10.0 115.724 -176.443 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.6 p -77.6 -12.25 59.95 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 113.594 0.961 . . . . 10.0 113.594 177.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 91.0 mt -65.95 156.38 84.06 Favored Pre-proline 0 CA--C 1.552 1.035 0 CA-C-N 119.235 0.925 . . . . 10.0 111.201 176.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -49.44 132.4 29.55 Favored 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 123.755 2.97 . . . . 10.0 114.083 -179.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -54.99 -44.83 74.83 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.378 1.071 . . . . 10.0 113.211 -178.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -66.41 -39.45 88.98 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.617 0.767 . . . . 10.0 112.169 178.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -64.36 -45.12 89.17 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 121.557 -0.714 . . . . 10.0 111.062 177.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 53.7 t -62.97 -47.79 91.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 123.854 0.862 . . . . 10.0 110.448 176.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -57.62 -40.56 79.45 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.025 0.93 . . . . 10.0 113.335 179.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 41.8 m -59.55 -41.5 90.25 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 118.879 0.763 . . . . 10.0 112.873 179.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.9 mm -67.85 -44.53 85.33 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 CA-C-N 119.147 0.885 . . . . 10.0 110.561 177.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 83.6 mt -63.33 -30.7 71.79 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 121.282 -0.886 . . . . 10.0 112.586 178.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.58 -9.29 58.45 Favored 'General case' 0 CA--C 1.55 0.965 0 N-CA-C 114.439 1.274 . . . . 10.0 114.439 176.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -127.58 -26.94 2.92 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 114.794 1.405 . . . . 10.0 114.794 -178.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -129.1 -23.2 3.05 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.368 1.467 . . . . 10.0 113.824 -179.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 75.13 2.06 65.27 Favored Glycine 0 CA--C 1.538 1.481 0 N-CA-C 116.031 1.173 . . . . 10.0 116.031 178.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -151.08 154.53 37.15 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 118.753 1.276 . . . . 10.0 113.928 -179.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 65.1 mt -138.09 136.21 44.89 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 C-N-CA 126.632 1.973 . . . . 10.0 109.054 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -105.82 137.67 43.3 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.022 1.329 . . . . 10.0 108.732 175.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 14.7 tpt -132.67 151.04 52.07 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.288 1.035 . . . . 10.0 111.3 -177.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 22.3 t60 -95.06 133.62 38.65 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.087 1.355 . . . . 10.0 113.605 -176.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 48.1 t -83.4 76.76 9.89 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 126.298 1.839 . . . . 10.0 108.445 172.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -62.22 -16.83 55.91 Favored 'General case' 0 CA--C 1.549 0.915 0 O-C-N 121.257 -0.902 . . . . 10.0 112.489 178.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -64.29 -39.83 94.73 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 127.184 2.194 . . . . 10.0 113.1 176.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 34.1 m -124.23 -35.95 2.73 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 115.138 1.532 . . . . 10.0 115.138 -175.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 110.22 46.69 0.86 Allowed Glycine 0 CA--C 1.535 1.289 0 C-N-CA 124.278 0.942 . . . . 10.0 112.467 -178.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -136.88 -172.0 3.07 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 126.053 1.741 . . . . 10.0 110.735 -176.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.4 p80 -144.98 162.58 36.55 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 120.674 -1.266 . . . . 10.0 110.754 176.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -147.82 142.81 26.97 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 124.948 1.299 . . . . 10.0 108.927 -178.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 57.9 tp -105.96 142.1 36.24 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.719 1.208 . . . . 10.0 110.417 -177.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -135.87 150.44 49.37 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.266 1.427 . . . . 10.0 111.214 -178.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -121.16 174.04 6.93 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.955 1.302 . . . . 10.0 109.882 177.012 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.41 -38.79 69.39 Favored 'General case' 0 CA--C 1.545 0.756 0 O-C-N 121.679 -0.638 . . . . 10.0 112.634 179.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -65.73 -40.32 92.04 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.66 1.184 . . . . 10.0 112.096 178.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -67.81 -47.91 67.75 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.662 0.785 . . . . 10.0 110.302 177.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 69.0 mt -59.75 -39.5 79.96 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 C-N-CA 125.277 1.431 . . . . 10.0 110.911 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.81 -40.06 87.15 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.281 0.633 . . . . 10.0 112.373 176.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -73.38 -41.92 62.8 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 121.442 -0.786 . . . . 10.0 111.099 176.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 57.0 mt -58.57 -42.76 85.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 124.291 1.036 . . . . 10.0 110.645 177.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 51.4 mtp85 -63.61 -13.61 43.76 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 125.658 1.583 . . . . 10.0 113.8 176.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 64.9 m-80 -119.18 13.44 12.86 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 126.477 1.911 . . . . 10.0 112.587 178.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -138.21 -36.99 0.58 Allowed 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.898 1.279 . . . . 10.0 113.29 -179.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.61 1.41 56.8 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 124.802 1.241 . . . . 10.0 113.034 177.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 68.5 m . . . . . 0 C--O 1.253 1.289 0 C-N-CA 127.281 2.233 . . . . 10.0 111.694 -179.172 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.1 tpt . . . . . 0 N--CA 1.487 1.389 0 N-CA-C 109.952 -0.388 . . . . 10.0 109.952 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -132.28 19.49 4.42 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 114.613 1.338 . . . . 10.0 114.613 -176.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 13.8 p -148.89 151.95 12.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 125.867 1.667 . . . . 10.0 110.359 179.022 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -103.34 25.05 10.05 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.17 1.388 . . . . 10.0 113.71 -176.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -153.35 141.64 20.56 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.861 1.664 . . . . 10.0 111.419 178.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.4 ' HE3' ' CE1' ' A' ' 47' ' ' TYR . 23.1 tptt -160.91 -176.97 5.82 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 126.032 1.733 . . . . 10.0 110.275 175.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.2 t -50.08 145.89 5.39 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 126.829 2.051 . . . . 10.0 114.485 -179.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.1 p -81.42 -15.89 53.75 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 114.019 1.118 . . . . 10.0 114.019 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 23.5 p -112.57 -90.69 0.5 Allowed 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.415 1.486 . . . . 10.0 111.92 179.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 46.9 t -164.33 155.06 15.09 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.919 1.288 . . . . 10.0 113.63 -179.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 41.9 ttt-85 -55.5 -30.95 61.58 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.877 1.671 . . . . 10.0 111.476 172.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -57.54 -35.97 71.0 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.369 1.468 . . . . 10.0 112.741 177.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.5 mmt180 -67.87 -45.28 74.95 Favored 'General case' 0 N--CA 1.477 0.877 0 O-C-N 121.336 -0.852 . . . . 10.0 110.813 176.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 20.4 t -62.32 -39.59 93.54 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.189 0.996 . . . . 10.0 111.59 174.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.84 -42.73 99.4 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.469 1.108 . . . . 10.0 111.368 176.059 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -64.54 -36.16 83.32 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.484 -0.76 . . . . 10.0 111.319 175.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.69 -40.12 88.39 Favored 'General case' 0 CA--C 1.546 0.803 0 O-C-N 121.695 -0.628 . . . . 10.0 111.448 175.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.8 tp -61.3 -43.85 98.18 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.554 1.541 . . . . 10.0 110.128 175.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.0 tmtm? -52.52 -22.0 4.4 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.996 1.718 . . . . 10.0 115.375 177.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 46.6 p -66.19 -23.37 66.44 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 113.292 0.849 . . . . 10.0 113.292 177.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 81.0 mt -71.4 148.27 93.29 Favored Pre-proline 0 CA--C 1.551 0.983 0 C-N-CA 124.332 1.053 . . . . 10.0 111.574 178.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -55.31 140.58 81.9 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 123.454 2.769 . . . . 10.0 113.218 178.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -55.69 -44.92 77.81 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.616 0.766 . . . . 10.0 112.996 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -66.28 -36.2 82.35 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.627 0.771 . . . . 10.0 112.244 178.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -69.4 -46.19 67.46 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.611 -0.681 . . . . 10.0 110.704 177.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 50.4 t -58.78 -48.54 85.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 124.48 1.112 . . . . 10.0 110.213 176.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -62.14 -35.44 78.77 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.636 0.774 . . . . 10.0 112.529 178.101 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 73.4 m -61.77 -39.16 90.69 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.519 0.728 . . . . 10.0 112.875 178.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.1 mm -67.97 -42.39 85.44 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 CA-C-N 119.401 1.001 . . . . 10.0 110.411 177.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 96.9 mt -61.21 -37.92 84.74 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 121.411 -0.805 . . . . 10.0 111.473 176.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.88 -9.24 50.53 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 124.818 1.247 . . . . 10.0 114.252 176.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -121.78 -28.12 4.56 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.718 1.207 . . . . 10.0 114.129 -175.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -137.98 -12.65 1.46 Allowed 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 114.95 1.463 . . . . 10.0 114.95 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.55 -3.93 52.67 Favored Glycine 0 CA--C 1.537 1.465 0 N-CA-C 116.133 1.213 . . . . 10.0 116.133 178.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -150.71 160.43 43.85 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 118.973 1.387 . . . . 10.0 113.137 -179.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 58.2 mt -135.62 136.59 50.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 C-N-CA 126.23 1.812 . . . . 10.0 110.381 -176.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -99.98 127.5 46.18 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.058 1.343 . . . . 10.0 109.851 175.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 12.9 tpt -137.44 157.11 47.28 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.88 1.272 . . . . 10.0 111.458 178.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 21.2 p-80 -117.51 141.89 47.82 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.09 1.356 . . . . 10.0 111.672 178.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 51.9 t -58.46 128.09 35.44 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.019 1.328 . . . . 10.0 111.453 179.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -67.48 -15.07 63.47 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 123.636 0.774 . . . . 10.0 113.069 178.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -102.36 -38.89 7.42 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.781 1.633 . . . . 10.0 113.57 -177.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 19.6 m -115.56 -16.35 11.34 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 116.003 1.853 . . . . 10.0 116.003 -174.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 75.8 -4.9 42.44 Favored Glycine 0 CA--C 1.541 1.712 0 C-N-CA 124.13 0.871 . . . . 10.0 114.285 -175.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -64.25 133.31 52.53 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.298 1.439 . . . . 10.0 111.387 178.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 11.2 p-80 -84.44 150.07 25.55 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.761 1.023 . . . . 10.0 113.761 179.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.4 ' CE1' ' HE3' ' A' ' 6' ' ' LYS . 33.2 m-85 -145.18 157.82 43.98 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 127.614 2.366 . . . . 10.0 107.939 177.538 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.445 ' H ' HD23 ' A' ' 48' ' ' LEU . 1.9 pt? -114.47 142.26 46.62 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.093 0.957 . . . . 10.0 109.974 176.479 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -128.51 145.47 51.11 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 125.021 1.328 . . . . 10.0 110.744 -177.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 -113.75 171.49 7.55 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.416 1.486 . . . . 10.0 111.459 -175.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.27 -36.3 65.94 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 121.111 -0.993 . . . . 10.0 112.476 177.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 26.0 mmt -65.81 -37.57 86.62 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.149 0.979 . . . . 10.0 112.161 175.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -67.3 -48.15 68.47 Favored 'General case' 0 CA--C 1.534 0.362 0 O-C-N 121.456 -0.777 . . . . 10.0 110.654 177.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.8 mp -59.9 -41.2 85.1 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.481 0 C-N-CA 123.553 0.741 . . . . 10.0 110.272 177.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.06 -39.9 87.62 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.207 0.603 . . . . 10.0 112.159 177.028 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -72.07 -42.7 65.91 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.528 -0.733 . . . . 10.0 111.287 176.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 64.3 mt -58.71 -43.18 87.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 124.361 1.064 . . . . 10.0 110.964 178.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 66.7 mtm180 -69.41 -12.91 62.05 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 125.376 1.47 . . . . 10.0 114.167 177.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -111.14 10.75 21.92 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 126.236 1.814 . . . . 10.0 111.949 176.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -126.14 -37.88 2.2 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.948 1.699 . . . . 10.0 111.551 178.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.19 161.8 29.58 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 123.705 0.802 . . . . 10.0 112.453 176.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 72.9 p . . . . . 0 C--O 1.254 1.316 0 C-N-CA 125.985 1.714 . . . . 10.0 113.588 179.296 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 77.6 mtp . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 120.489 0.185 . . . . 10.0 110.78 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -129.65 27.23 5.26 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 125.473 1.509 . . . . 10.0 112.726 -177.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.5 m -61.17 157.82 2.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 125.54 1.536 . . . . 10.0 113.767 -179.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -78.25 64.78 3.46 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.075 1.35 . . . . 10.0 110.809 176.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -54.08 141.84 27.28 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.004 1.322 . . . . 10.0 112.34 -178.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.0 ttmt -151.75 175.56 12.29 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.055 1.342 . . . . 10.0 112.181 -177.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.8 t -52.19 143.04 15.26 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.89 1.676 . . . . 10.0 113.462 -179.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.3 p -85.2 36.89 0.65 Allowed 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 126.956 2.102 . . . . 10.0 110.93 175.311 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -39.12 127.34 1.69 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 127.968 2.507 . . . . 10.0 114.609 -177.717 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.7 t -158.33 149.9 21.23 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 126.092 1.757 . . . . 10.0 109.687 177.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.9 ttt180 -56.64 -33.46 66.35 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 124.007 0.923 . . . . 10.0 111.401 174.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -61.09 -36.72 80.42 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.809 1.643 . . . . 10.0 113.421 178.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.0 mtt85 -69.71 -46.4 66.07 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.743 0.817 . . . . 10.0 110.879 178.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 73.1 m -63.19 -38.53 91.54 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.384 1.474 . . . . 10.0 112.784 174.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.88 -41.4 97.83 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.702 0.801 . . . . 10.0 111.564 178.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -63.01 -40.42 97.71 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.274 0.63 . . . . 10.0 111.314 175.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.07 -33.67 76.3 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 124.193 0.997 . . . . 10.0 112.42 175.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.8 tp -71.74 -42.98 66.61 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.94 1.296 . . . . 10.0 109.919 175.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.51 -34.31 57.67 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 115.301 1.593 . . . . 10.0 115.301 -179.733 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 75.4 p -72.91 -12.83 61.11 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 114.484 1.29 . . . . 10.0 114.484 -178.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 83.9 mt -71.09 155.7 92.9 Favored Pre-proline 0 CA--C 1.55 0.955 0 CA-C-N 119.236 0.925 . . . . 10.0 111.41 175.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -56.52 123.91 14.97 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 122.932 2.421 . . . . 10.0 111.049 176.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -59.12 -34.45 72.05 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 113.022 0.749 . . . . 10.0 113.022 -178.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -67.18 -38.32 85.19 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.184 0.994 . . . . 10.0 112.149 174.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -69.56 -41.82 75.38 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.096 0.958 . . . . 10.0 111.103 177.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 47.9 t -59.74 -42.28 88.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 124.468 1.107 . . . . 10.0 110.692 176.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -64.35 -34.12 77.42 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 112.673 0.619 . . . . 10.0 112.673 176.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 71.0 m -61.44 -35.3 77.18 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.37 -0.831 . . . . 10.0 112.321 177.013 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.6 mm -64.68 -36.15 76.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 CA-C-N 119.097 0.862 . . . . 10.0 111.011 177.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 38.9 mt -63.99 -30.13 71.24 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.011 -1.056 . . . . 10.0 112.305 176.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.75 -5.11 57.86 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 124.946 1.298 . . . . 10.0 113.763 176.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -123.83 -27.59 3.93 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 114.789 1.403 . . . . 10.0 114.789 -178.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -141.15 -26.35 0.71 Allowed 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 114.464 1.283 . . . . 10.0 114.464 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 84.31 1.59 89.39 Favored Glycine 0 CA--C 1.538 1.496 0 N-CA-C 115.932 1.133 . . . . 10.0 115.932 177.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -160.23 165.58 31.21 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.11 1.364 . . . . 10.0 112.035 -179.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 93.7 mt -130.6 134.62 61.84 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 125.237 1.415 . . . . 10.0 110.356 179.065 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -95.87 100.16 11.88 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.2 1.8 . . . . 10.0 108.175 175.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 3.1 mmt -91.37 153.07 20.15 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 124.958 1.303 . . . . 10.0 112.843 -177.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 73.4 m80 -121.13 125.44 47.22 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.512 1.525 . . . . 10.0 109.343 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 53.9 t -51.1 119.54 4.09 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.137 1.775 . . . . 10.0 111.871 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -63.69 -15.69 59.1 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 123.395 0.678 . . . . 10.0 112.735 178.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -92.04 -38.58 12.13 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.932 1.693 . . . . 10.0 113.893 -178.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.9 p -141.19 -10.43 0.97 Allowed 'General case' 0 CA--C 1.553 1.072 0 N-CA-C 117.925 2.565 . . . . 10.0 117.925 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 97.44 -6.44 63.21 Favored Glycine 0 CA--C 1.539 1.588 0 C-N-CA 125.193 1.377 . . . . 10.0 116.077 179.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -53.28 145.93 13.01 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 125.68 1.592 . . . . 10.0 113.194 179.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 71.7 m-70 -82.74 142.76 31.37 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 114.368 1.247 . . . . 10.0 114.368 -177.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -149.68 131.89 15.46 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 127.006 2.122 . . . . 10.0 107.771 174.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.409 ' H ' HD23 ' A' ' 48' ' ' LEU . 1.8 pt? -102.65 143.06 32.8 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.876 0.871 . . . . 10.0 112.656 -178.089 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -130.58 126.07 35.79 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.036 1.334 . . . . 10.0 110.043 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 -91.07 172.53 8.5 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.435 1.094 . . . . 10.0 111.28 -178.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.31 -39.55 70.06 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.237 -0.915 . . . . 10.0 112.08 177.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -65.28 -38.1 89.24 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.134 1.374 . . . . 10.0 112.239 177.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -71.99 -48.01 47.96 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.077 0.951 . . . . 10.0 110.954 177.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 69.6 mt -60.93 -39.13 81.04 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.134 0 C-N-CA 125.894 1.677 . . . . 10.0 110.863 -179.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.62 -41.08 72.99 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 119.001 0.819 . . . . 10.0 112.811 178.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -74.02 -46.95 40.32 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.517 -0.74 . . . . 10.0 111.217 176.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 93.5 mt -58.38 -39.84 75.98 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 124.424 1.09 . . . . 10.0 111.411 179.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 68.8 ttt-85 -62.44 -24.74 67.59 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 126.372 1.869 . . . . 10.0 112.629 176.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 64.0 m-80 -103.59 19.69 19.35 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 126.615 1.966 . . . . 10.0 111.238 175.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 51.77 44.9 28.96 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 127.343 2.257 . . . . 10.0 113.534 -179.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -130.61 159.03 38.39 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.16 1.384 . . . . 10.0 112.493 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 32.0 m . . . . . 0 C--O 1.253 1.267 0 C-N-CA 127.25 2.22 . . . . 10.0 111.452 179.701 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.0 ttt . . . . . 0 N--CA 1.485 1.322 0 N-CA-C 110.188 -0.301 . . . . 10.0 110.188 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -66.38 156.03 35.73 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.172 0.989 . . . . 10.0 113.052 179.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.4 p -153.38 153.78 8.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 125.497 1.519 . . . . 10.0 110.743 179.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -58.23 148.01 28.57 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.845 1.258 . . . . 10.0 113.132 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -148.05 175.26 11.16 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.316 1.047 . . . . 10.0 112.909 -179.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.3 mmpt? -58.98 132.76 54.97 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 126.37 1.868 . . . . 10.0 110.135 177.112 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.1 t -61.37 151.74 31.43 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 114.381 1.252 . . . . 10.0 114.381 -177.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.2 t -141.85 8.82 1.92 Allowed 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 127.299 2.24 . . . . 10.0 111.192 178.082 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 28.7 m -94.0 -158.09 0.6 Allowed 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 128.138 2.575 . . . . 10.0 112.57 -175.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 88.5 p -149.18 172.69 14.41 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 126.438 1.895 . . . . 10.0 111.168 179.316 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 66.3 mtp85 -57.35 -35.28 69.73 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.106 0.562 . . . . 10.0 111.405 174.167 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -60.83 -43.86 97.69 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.3 1.04 . . . . 10.0 112.822 179.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 62.9 mtt180 -60.87 -46.03 92.21 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 121.728 -0.608 . . . . 10.0 111.8 178.009 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.7 t -72.6 -33.19 66.53 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 112.848 0.685 . . . . 10.0 112.848 178.044 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.66 96.06 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.523 0.729 . . . . 10.0 110.51 175.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -63.04 -34.52 77.76 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 121.548 -0.72 . . . . 10.0 111.763 175.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.58 -33.82 74.73 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 123.663 0.785 . . . . 10.0 111.884 174.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 15.4 tp -74.51 -40.89 61.5 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.46 1.504 . . . . 10.0 110.824 177.072 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -49.55 -35.16 19.48 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 128.13 2.572 . . . . 10.0 114.768 178.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 77.6 p -78.44 -13.83 59.65 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 114.556 1.317 . . . . 10.0 114.556 -179.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 71.4 mt -70.23 153.19 95.4 Favored Pre-proline 0 CA--C 1.55 0.958 0 CA-C-N 119.576 1.08 . . . . 10.0 111.644 178.277 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -53.4 125.12 17.45 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 123.518 2.812 . . . . 10.0 112.863 179.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -60.01 -35.78 75.79 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 113.326 0.861 . . . . 10.0 113.326 -178.633 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -64.38 -39.54 94.06 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.707 0.803 . . . . 10.0 111.509 176.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -69.53 -41.85 75.42 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.88 0.872 . . . . 10.0 110.41 176.261 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 24.6 t -57.79 -48.51 83.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 124.008 0.923 . . . . 10.0 109.66 175.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.4 -37.57 87.98 Favored 'General case' 0 CA--C 1.539 0.537 0 O-C-N 121.669 -0.645 . . . . 10.0 112.495 177.574 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 68.5 m -63.0 -45.18 93.61 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.656 0.782 . . . . 10.0 111.847 178.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 74.6 mt -64.72 -44.12 96.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 CA-C-N 118.692 0.678 . . . . 10.0 109.975 176.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 49.7 mt -59.22 -38.94 81.2 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 121.288 -0.883 . . . . 10.0 111.984 176.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.95 -8.39 36.67 Favored 'General case' 0 CA--C 1.55 0.969 0 N-CA-C 114.364 1.246 . . . . 10.0 114.364 177.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -121.6 -20.98 6.34 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 114.362 1.245 . . . . 10.0 114.362 -179.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -140.19 -11.6 1.09 Allowed 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 115.718 1.747 . . . . 10.0 115.718 -178.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.71 -1.47 37.69 Favored Glycine 0 CA--C 1.54 1.613 0 N-CA-C 116.141 1.216 . . . . 10.0 116.141 179.135 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -154.91 161.79 41.31 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.029 1.332 . . . . 10.0 112.426 179.501 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 61.0 mt -134.44 136.42 52.86 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 C-N-CA 125.913 1.685 . . . . 10.0 109.604 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -103.6 132.06 50.19 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.646 1.178 . . . . 10.0 108.678 174.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 13.9 tpt -127.41 152.94 46.87 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 124.902 1.281 . . . . 10.0 111.333 -178.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 50.4 t60 -93.94 134.71 36.03 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.989 1.316 . . . . 10.0 112.833 -176.169 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 13.3 t -79.19 76.21 5.72 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 127.122 2.169 . . . . 10.0 109.409 176.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -57.24 -15.35 5.78 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 113.767 1.025 . . . . 10.0 113.767 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 67.5 m-85 -62.33 -36.78 83.27 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.092 1.757 . . . . 10.0 113.165 175.112 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 22.6 p -149.78 -18.06 0.26 Allowed 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 117.486 2.402 . . . . 10.0 117.486 -177.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 128.73 -12.71 6.19 Favored Glycine 0 CA--C 1.536 1.365 0 CA-C-N 120.564 1.529 . . . . 10.0 116.6 176.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -70.39 -168.98 0.27 Allowed 'General case' 0 CA--C 1.558 1.285 0 C-N-CA 125.477 1.511 . . . . 10.0 113.129 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 7.4 p80 -151.37 161.71 42.21 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 126.071 1.748 . . . . 10.0 110.69 175.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -148.36 149.0 31.0 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 125.52 1.528 . . . . 10.0 108.644 -179.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.7 pp -113.22 144.75 42.17 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.65 0.78 . . . . 10.0 112.276 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -134.49 126.94 30.44 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 125.739 1.615 . . . . 10.0 111.725 -174.279 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 59.5 m-20 -88.14 171.33 10.32 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.906 0.883 . . . . 10.0 110.809 178.226 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.33 -37.21 67.13 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 123.545 0.738 . . . . 10.0 112.9 178.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 2.4 mpt? -65.11 -38.24 90.03 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.707 1.203 . . . . 10.0 112.472 178.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -72.15 -44.11 63.59 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.992 0.917 . . . . 10.0 110.072 176.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 51.4 mt -60.2 -33.48 53.67 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 C-N-CA 125.086 1.354 . . . . 10.0 111.417 176.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.35 -35.93 74.78 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.692 -0.63 . . . . 10.0 111.596 174.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -72.82 -39.38 66.66 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.781 1.173 . . . . 10.0 110.772 176.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 97.0 mt -59.31 -38.77 76.53 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.752 0 O-C-N 121.387 -0.821 . . . . 10.0 110.151 175.141 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -78.64 -33.23 47.39 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.53 1.532 . . . . 10.0 114.927 177.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 62.1 t30 -105.28 -7.11 19.13 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 115.969 1.84 . . . . 10.0 115.969 -171.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -140.53 -24.73 0.78 Allowed 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 125.261 1.424 . . . . 10.0 113.285 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 50.81 30.73 5.32 Favored 'General case' 0 CA--C 1.551 0.99 0 N-CA-C 116.511 2.041 . . . . 10.0 116.511 176.259 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 18.3 m . . . . . 0 C--O 1.251 1.134 0 C-N-CA 127.197 2.199 . . . . 10.0 114.83 179.651 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.2 mpp? . . . . . 0 N--CA 1.485 1.322 0 N-CA-C 109.971 -0.381 . . . . 10.0 109.971 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -66.24 154.87 38.69 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 124.086 0.954 . . . . 10.0 112.69 179.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.4 t -72.5 118.41 17.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 124.933 1.293 . . . . 10.0 110.858 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -80.74 26.1 0.42 Allowed 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.556 1.542 . . . . 10.0 113.79 179.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -148.05 83.63 1.51 Allowed 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 127.119 2.168 . . . . 10.0 110.254 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -147.35 120.67 8.98 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.641 1.576 . . . . 10.0 108.299 177.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 20.4 p -74.92 179.48 4.89 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.644 1.178 . . . . 10.0 112.724 179.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 36.5 p -71.8 13.72 0.26 Allowed 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 126.224 1.81 . . . . 10.0 113.776 178.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 16.6 p -61.33 172.23 1.18 Allowed 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 116.422 2.008 . . . . 10.0 116.422 -177.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.9 m -161.43 174.66 13.14 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 130.625 3.57 . . . . 10.0 106.928 177.154 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.6 ttp85 -55.03 -35.18 64.19 Favored 'General case' 0 N--CA 1.48 1.043 0 O-C-N 121.183 -0.948 . . . . 10.0 112.255 179.245 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -58.58 -39.52 80.57 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.401 1.481 . . . . 10.0 113.593 176.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.4 mmm-85 -67.53 -45.33 76.04 Favored 'General case' 0 N--CA 1.481 1.106 0 O-C-N 121.226 -0.921 . . . . 10.0 110.822 177.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 17.8 t -62.54 -38.06 88.56 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.631 0.772 . . . . 10.0 111.687 173.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.76 -41.37 97.6 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.083 0.953 . . . . 10.0 110.972 177.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -59.58 -34.72 73.07 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.966 0.906 . . . . 10.0 112.401 177.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.29 -33.76 73.68 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 123.571 0.748 . . . . 10.0 112.319 175.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.3 tp -76.01 -44.65 38.44 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.438 1.495 . . . . 10.0 110.581 176.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -47.7 -39.54 17.74 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 128.404 2.681 . . . . 10.0 114.497 179.182 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 59.9 p -81.96 -9.88 59.43 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 115.085 1.513 . . . . 10.0 115.085 -178.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 95.4 mt -66.32 155.27 88.51 Favored Pre-proline 0 CA--C 1.548 0.875 0 CA-C-N 119.556 1.071 . . . . 10.0 111.29 177.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -53.56 119.21 5.83 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 123.254 2.636 . . . . 10.0 111.403 178.181 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -58.31 -35.28 71.62 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 113.406 0.891 . . . . 10.0 113.406 -176.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -63.77 -39.42 94.22 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.723 0.809 . . . . 10.0 111.466 176.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -69.58 -45.29 68.99 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.53 -0.731 . . . . 10.0 110.936 176.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 62.6 t -58.29 -48.79 83.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 123.832 0.853 . . . . 10.0 110.134 177.095 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -61.26 -38.68 87.59 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.94 0.896 . . . . 10.0 112.074 176.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 66.2 m -61.83 -43.67 98.38 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.211 0.604 . . . . 10.0 111.938 177.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 75.1 mt -64.35 -46.96 91.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 CA-C-N 118.757 0.708 . . . . 10.0 109.959 176.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 97.1 mt -60.08 -37.85 81.14 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.577 -0.702 . . . . 10.0 112.248 178.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.63 -9.28 41.7 Favored 'General case' 0 CA--C 1.55 0.969 0 N-CA-C 114.273 1.212 . . . . 10.0 114.273 176.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -122.45 -15.77 7.5 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 114.391 1.256 . . . . 10.0 114.391 -179.202 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -142.16 -13.17 0.82 Allowed 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 115.576 1.695 . . . . 10.0 115.576 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 73.2 -8.14 9.46 Favored Glycine 0 CA--C 1.539 1.538 0 N-CA-C 116.254 1.262 . . . . 10.0 116.254 179.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -152.15 164.15 37.9 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 118.924 1.362 . . . . 10.0 113.324 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 70.1 mt -135.93 135.93 50.21 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 C-N-CA 126.937 2.095 . . . . 10.0 109.775 -177.369 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -97.84 124.22 42.14 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.917 1.687 . . . . 10.0 107.54 174.051 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 15.1 tpt -131.71 153.18 50.29 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.067 0.947 . . . . 10.0 111.787 -175.072 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 67.7 m-70 -119.65 140.36 50.75 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.429 1.092 . . . . 10.0 111.556 179.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 40.5 t -53.94 118.86 4.33 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.474 1.91 . . . . 10.0 110.653 177.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -66.95 -9.14 35.29 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 113.095 0.776 . . . . 10.0 113.095 179.274 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -99.6 -42.73 6.77 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.913 1.685 . . . . 10.0 114.01 -177.254 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.6 p -132.3 -9.98 3.3 Favored 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 116.64 2.089 . . . . 10.0 116.64 179.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 94.42 -2.12 67.5 Favored Glycine 0 CA--C 1.536 1.393 0 N-CA-C 116.914 1.526 . . . . 10.0 116.914 176.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -58.32 138.82 56.15 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 120.152 1.976 . . . . 10.0 112.118 178.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -82.68 150.91 26.49 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.155 0.982 . . . . 10.0 113.453 -178.636 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -153.24 153.28 32.38 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 126.35 1.86 . . . . 10.0 109.024 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 91.9 mt -114.58 142.18 46.78 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.823 0.849 . . . . 10.0 112.693 -178.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -136.33 139.2 42.41 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 126.171 1.788 . . . . 10.0 110.011 -179.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 22.4 p30 -121.62 172.58 8.01 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 124.033 0.933 . . . . 10.0 112.118 178.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.3 -41.96 73.06 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 113.422 0.897 . . . . 10.0 113.422 -178.113 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 26.3 mmt -70.51 -39.03 74.34 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.134 0.573 . . . . 10.0 112.276 178.048 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -67.82 -43.42 79.63 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 121.299 -0.875 . . . . 10.0 111.534 178.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 80.6 mt -65.32 -35.46 75.39 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 C-N-CA 124.582 1.153 . . . . 10.0 110.288 176.21 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.17 -36.59 84.55 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 121.792 -0.568 . . . . 10.0 111.416 175.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -72.37 -40.41 67.31 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 121.516 -0.74 . . . . 10.0 110.88 175.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 52.4 mt -58.06 -42.54 83.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 CA-C-N 119.151 0.887 . . . . 10.0 109.948 175.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 47.6 mmt-85 -66.92 -9.87 42.9 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.715 1.606 . . . . 10.0 115.309 176.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 63.2 m-80 -125.94 5.51 7.29 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.185 1.394 . . . . 10.0 113.746 -179.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -146.55 -17.59 0.43 Allowed 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 115.285 1.587 . . . . 10.0 115.285 -178.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -133.67 -10.83 2.75 Favored 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 115.541 1.682 . . . . 10.0 115.541 -177.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 70.4 m . . . . . 0 C--O 1.252 1.213 0 C-N-CA 125.447 1.499 . . . . 10.0 112.051 177.095 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 N--CA 1.487 1.408 0 N-CA-C 110.109 -0.33 . . . . 10.0 110.109 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -139.02 21.31 2.63 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.981 1.312 . . . . 10.0 114.251 -177.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.8 m -63.99 149.68 10.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 124.408 1.083 . . . . 10.0 112.735 179.262 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -147.85 47.37 1.09 Allowed 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.939 1.295 . . . . 10.0 110.824 -178.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 39.1 p90 -62.03 12.26 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 118.354 2.724 . . . . 10.0 118.354 -176.025 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -79.66 0.97 28.08 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 126.317 1.847 . . . . 10.0 115.076 175.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 7.4 t 36.71 79.91 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 131.396 3.878 . . . . 10.0 114.363 -179.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.8 m -59.98 -26.5 66.08 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 126.377 1.871 . . . . 10.0 113.819 -178.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 26.6 p -87.33 -145.49 0.13 Allowed 'General case' 0 CA--C 1.556 1.19 0 C-N-CA 125.575 1.55 . . . . 10.0 112.778 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.5 m -141.06 163.96 31.56 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.222 1.409 . . . . 10.0 113.557 -176.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 19.4 ptp180 -54.4 -33.73 59.89 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 125.456 1.502 . . . . 10.0 114.219 -179.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -57.0 -36.47 70.44 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.413 1.485 . . . . 10.0 112.724 -179.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 65.5 mtt85 -67.67 -41.81 83.15 Favored 'General case' 0 N--CA 1.478 0.943 0 O-C-N 121.405 -0.809 . . . . 10.0 111.401 175.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 16.7 t -65.54 -41.91 92.51 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-O 121.075 0.464 . . . . 10.0 110.964 174.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.78 -42.7 99.33 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.711 1.204 . . . . 10.0 112.191 178.095 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -61.02 -38.17 85.14 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.937 0.895 . . . . 10.0 111.774 177.03 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.93 -33.64 74.06 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.489 0.716 . . . . 10.0 112.54 175.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.1 tp -76.05 -47.11 25.97 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.827 1.251 . . . . 10.0 111.656 178.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.11 -21.23 66.77 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 115.881 1.808 . . . . 10.0 115.881 -176.013 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 36.2 p -82.17 -10.55 59.12 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 113.606 0.965 . . . . 10.0 113.606 177.14 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 97.8 mt -67.43 159.7 76.24 Favored Pre-proline 0 CA--C 1.551 0.991 0 C-N-CA 124.495 1.118 . . . . 10.0 111.624 177.064 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -47.08 127.32 12.51 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 123.914 3.076 . . . . 10.0 113.895 179.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -54.91 -39.51 68.88 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.478 1.111 . . . . 10.0 112.987 -178.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -62.33 -41.57 98.66 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.385 1.074 . . . . 10.0 112.343 178.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -66.45 -45.53 79.46 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 121.422 -0.799 . . . . 10.0 110.987 178.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 96.4 t -60.97 -48.0 91.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 123.635 0.774 . . . . 10.0 110.078 177.007 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -59.57 -43.76 93.51 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.87 0.868 . . . . 10.0 112.6 178.228 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 31.4 m -59.79 -43.69 94.29 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 119.012 0.824 . . . . 10.0 112.818 178.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 62.1 mt -68.21 -45.37 83.06 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 CA-C-N 119.291 0.951 . . . . 10.0 110.398 178.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 93.4 mt -61.35 -35.61 77.93 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.3 -0.875 . . . . 10.0 112.208 177.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.4 -14.7 61.77 Favored 'General case' 0 CA--C 1.549 0.934 0 N-CA-C 113.969 1.1 . . . . 10.0 113.969 176.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -111.85 -26.69 8.81 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.892 1.277 . . . . 10.0 114.244 -177.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -136.72 -15.61 1.57 Allowed 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 115.008 1.485 . . . . 10.0 115.008 -178.399 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.95 -9.25 25.71 Favored Glycine 0 CA--C 1.537 1.412 0 C-N-CA 124.693 1.139 . . . . 10.0 115.799 179.141 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -143.62 160.83 39.96 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.95 1.3 . . . . 10.0 112.014 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 84.9 mt -134.26 136.56 53.04 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 C-N-CA 126.747 2.019 . . . . 10.0 108.634 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -124.4 123.78 40.92 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.394 1.478 . . . . 10.0 109.864 178.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 57.2 mtt -137.3 156.26 48.47 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.444 1.498 . . . . 10.0 112.415 -177.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 12.0 p-80 -94.45 141.65 28.34 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.606 0.763 . . . . 10.0 111.67 178.142 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 53.4 t -56.11 120.46 7.55 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 127.211 2.204 . . . . 10.0 110.815 178.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -65.56 -13.91 59.98 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 113.049 0.759 . . . . 10.0 113.049 179.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -102.04 -36.96 8.39 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.826 1.65 . . . . 10.0 114.04 -178.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 5.9 m -125.07 -11.19 7.08 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 116.338 1.977 . . . . 10.0 116.338 -173.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.33 -8.73 45.04 Favored Glycine 0 CA--C 1.541 1.676 0 N-CA-C 116.02 1.168 . . . . 10.0 116.02 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -66.73 150.0 49.72 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 118.889 1.344 . . . . 10.0 112.093 178.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 10.5 p-80 -82.79 150.9 26.36 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 120.981 -1.074 . . . . 10.0 113.413 -179.206 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -150.23 133.48 16.34 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 126.489 1.916 . . . . 10.0 108.361 177.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.7 pp -114.55 142.31 46.59 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.021 0.929 . . . . 10.0 111.804 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -136.34 151.86 50.04 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 125.858 1.663 . . . . 10.0 110.579 -178.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 23.5 p30 -121.15 179.2 4.47 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 121.794 0.807 . . . . 10.0 113.052 179.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.42 -39.97 70.88 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 112.938 0.718 . . . . 10.0 112.938 -179.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 34.8 mmt -70.52 -39.18 74.22 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.443 0.697 . . . . 10.0 111.958 177.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -61.43 -48.03 83.03 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 119.005 0.821 . . . . 10.0 110.576 176.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 84.2 mt -65.28 -39.05 84.14 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 C-N-CA 124.64 1.176 . . . . 10.0 110.611 178.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.53 -37.32 83.32 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 118.914 0.779 . . . . 10.0 112.214 176.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -71.04 -43.49 67.75 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 121.465 -0.772 . . . . 10.0 110.694 175.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 54.3 mt -57.93 -41.89 81.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 124.313 1.045 . . . . 10.0 110.772 177.088 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 38.6 ttt85 -63.14 -18.1 63.07 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 127.075 2.15 . . . . 10.0 114.153 177.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 -125.8 4.37 7.4 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.275 1.43 . . . . 10.0 114.807 -176.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -139.73 -19.02 0.93 Allowed 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 114.243 1.201 . . . . 10.0 114.243 -178.451 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -131.04 16.03 5.15 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 125.007 1.323 . . . . 10.0 112.757 179.276 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.6 m . . . . . 0 C--O 1.251 1.179 0 C-N-CA 126.815 2.046 . . . . 10.0 112.481 -178.381 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.1 mmt . . . . . 0 N--CA 1.487 1.376 0 N-CA-C 110.592 -0.151 . . . . 10.0 110.592 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -150.03 170.48 18.77 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.363 1.465 . . . . 10.0 112.118 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.4 p -148.93 148.1 16.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 125.41 1.484 . . . . 10.0 110.401 179.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -75.07 20.94 0.13 Allowed 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 115.619 1.711 . . . . 10.0 115.619 -179.459 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -75.59 174.06 10.21 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 125.648 1.579 . . . . 10.0 111.931 178.275 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -127.59 133.97 49.72 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.7 1.6 . . . . 10.0 109.929 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 10.8 t -56.53 143.72 34.32 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.439 1.096 . . . . 10.0 113.38 -177.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 71.0 p -121.88 -5.34 9.08 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.477 1.511 . . . . 10.0 114.249 -178.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 26.4 p -110.42 -109.47 0.34 Allowed 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.706 1.602 . . . . 10.0 111.215 179.136 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 45.2 t -163.8 162.68 23.91 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.421 1.489 . . . . 10.0 112.299 -179.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 74.7 ttt-85 -55.14 -30.52 59.98 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.751 1.62 . . . . 10.0 111.122 172.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -57.25 -36.36 70.86 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.445 1.498 . . . . 10.0 112.424 177.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 57.3 mtt180 -69.69 -38.49 77.01 Favored 'General case' 0 N--CA 1.477 0.921 0 O-C-N 121.138 -0.976 . . . . 10.0 111.519 175.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 11.8 t -65.47 -40.35 93.05 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.22 0.608 . . . . 10.0 110.586 174.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.96 -43.06 99.63 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.389 1.075 . . . . 10.0 111.129 175.213 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -60.22 -43.08 96.29 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.374 1.07 . . . . 10.0 110.844 176.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.06 -33.72 76.11 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.626 1.17 . . . . 10.0 113.18 176.065 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 41.3 tp -70.31 -37.49 74.76 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.77 1.228 . . . . 10.0 111.675 179.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.36 -31.55 63.91 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 114.23 1.196 . . . . 10.0 114.23 -177.678 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 72.1 p -73.4 -13.88 61.16 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 114.64 1.348 . . . . 10.0 114.64 -176.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 52.3 mt -65.76 147.21 98.85 Favored Pre-proline 0 CA--C 1.55 0.945 0 CA-C-N 119.4 1.0 . . . . 10.0 111.063 177.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -56.65 139.52 88.34 Favored 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 123.119 2.546 . . . . 10.0 113.0 179.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -57.72 -37.72 74.02 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 123.465 0.706 . . . . 10.0 112.67 179.105 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -66.44 -37.99 86.41 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.243 0.617 . . . . 10.0 111.998 177.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -69.16 -47.33 65.28 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.056 0.943 . . . . 10.0 110.492 177.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 49.4 t -60.02 -48.96 85.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 124.388 1.075 . . . . 10.0 110.657 177.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -62.73 -37.78 87.91 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.346 0.659 . . . . 10.0 112.303 178.073 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 75.5 m -60.8 -44.32 97.0 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 118.752 0.705 . . . . 10.0 112.055 177.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 61.3 mt -66.85 -45.76 86.87 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 123.119 0.567 . . . . 10.0 110.202 178.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 81.7 mt -60.93 -37.12 81.2 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.278 -0.889 . . . . 10.0 112.463 177.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.69 -9.95 41.55 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 114.284 1.216 . . . . 10.0 114.284 177.124 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -122.06 -18.72 6.84 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 114.395 1.257 . . . . 10.0 114.395 -179.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -139.82 -11.93 1.14 Allowed 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 115.793 1.775 . . . . 10.0 115.793 -179.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.09 -0.35 39.35 Favored Glycine 0 CA--C 1.539 1.588 0 N-CA-C 115.913 1.125 . . . . 10.0 115.913 179.045 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -157.06 163.03 39.46 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.51 1.524 . . . . 10.0 111.851 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 31.4 mt -133.84 136.31 54.11 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 C-N-CA 125.75 1.62 . . . . 10.0 109.644 -179.187 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -99.18 130.7 45.5 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.614 1.166 . . . . 10.0 108.005 173.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 15.9 tpt -131.17 152.52 50.36 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.402 1.081 . . . . 10.0 111.445 -177.09 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 25.8 p-80 -94.59 141.67 28.33 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.786 1.234 . . . . 10.0 112.766 -179.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 53.2 t -77.15 94.11 4.02 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.935 1.694 . . . . 10.0 107.547 173.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -57.15 -20.97 29.32 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 113.327 0.862 . . . . 10.0 113.327 -179.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -82.29 -35.98 27.48 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 126.152 1.781 . . . . 10.0 114.857 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 21.6 m -125.71 -16.27 5.77 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 116.637 2.088 . . . . 10.0 116.637 -174.137 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 91.86 -3.24 77.41 Favored Glycine 0 CA--C 1.54 1.622 0 C-N-CA 124.504 1.049 . . . . 10.0 114.552 -178.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -71.3 -177.31 1.72 Allowed 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 126.004 1.722 . . . . 10.0 111.235 176.095 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 5.3 p80 -141.83 160.49 40.09 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 120.43 -1.419 . . . . 10.0 111.905 175.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -150.17 154.82 38.66 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 125.851 1.66 . . . . 10.0 109.049 -178.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.494 ' H ' HD23 ' A' ' 48' ' ' LEU . 1.7 pt? -112.47 142.12 45.4 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.22 1.008 . . . . 10.0 112.162 -179.687 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -134.35 122.03 22.03 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 125.784 1.634 . . . . 10.0 111.119 -176.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -82.72 168.39 17.26 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.667 0.787 . . . . 10.0 111.579 179.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.3 -39.11 69.51 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.748 0.819 . . . . 10.0 112.515 178.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 77.0 mtm -66.82 -38.31 86.2 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.78 0.832 . . . . 10.0 112.682 178.074 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -71.11 -43.12 68.32 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 121.341 -0.849 . . . . 10.0 110.434 178.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 56.7 mt -62.45 -36.96 77.45 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 C-N-CA 124.406 1.082 . . . . 10.0 110.391 175.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.54 -39.66 91.99 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.743 -0.598 . . . . 10.0 111.402 175.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -66.06 -42.69 89.14 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.268 -0.895 . . . . 10.0 110.395 175.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 65.3 mt -58.97 -42.77 87.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 124.36 1.064 . . . . 10.0 110.274 175.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 58.4 mmt-85 -71.66 -31.51 66.9 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 113.506 0.928 . . . . 10.0 113.506 176.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 11.1 m-80 -71.35 -30.29 66.0 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 119.317 0.962 . . . . 10.0 112.137 175.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -77.87 -45.75 23.36 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.412 1.485 . . . . 10.0 111.49 176.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 51.08 20.98 0.93 Allowed 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 127.368 2.267 . . . . 10.0 117.102 178.378 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 43.9 m . . . . . 0 C--O 1.253 1.249 0 C-N-CA 126.068 1.747 . . . . 10.0 111.105 179.372 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.3 ttt . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.515 0.198 . . . . 10.0 110.566 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -140.18 145.31 37.3 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.823 1.649 . . . . 10.0 110.116 177.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.9 p -153.17 157.87 4.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 124.801 1.24 . . . . 10.0 111.698 -177.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -129.33 155.18 46.04 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 126.456 1.903 . . . . 10.0 111.327 -179.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -94.08 161.21 14.37 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.121 0.968 . . . . 10.0 112.515 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -154.94 151.76 28.9 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.62 1.568 . . . . 10.0 111.696 -178.2 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 13.6 t -63.68 169.69 3.82 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.686 1.594 . . . . 10.0 111.936 175.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.9 m -59.66 -22.02 61.34 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.95 1.3 . . . . 10.0 111.549 175.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 7.7 p -116.47 -101.3 0.43 Allowed 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 127.264 2.225 . . . . 10.0 110.382 176.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 92.4 p -166.2 165.33 17.61 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.792 1.237 . . . . 10.0 114.093 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.7 ttm-85 -59.37 -34.18 72.08 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.033 0.933 . . . . 10.0 111.148 174.311 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -57.1 -39.75 75.68 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.483 1.113 . . . . 10.0 112.19 -179.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.4 mmm180 -64.64 -41.21 96.3 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 119.035 0.834 . . . . 10.0 112.223 176.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 10.2 t -68.35 -41.95 79.95 Favored 'General case' 0 CA--C 1.548 0.865 0 C-N-CA 123.906 0.883 . . . . 10.0 111.549 175.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.0 -39.41 92.16 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.197 1.399 . . . . 10.0 112.055 177.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -58.96 -36.39 74.74 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.848 1.259 . . . . 10.0 111.499 177.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.19 -33.79 67.91 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 123.966 0.906 . . . . 10.0 113.274 174.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 18.8 tp -76.28 -45.85 30.62 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.713 1.205 . . . . 10.0 111.838 179.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 42.2 pttt -62.02 -24.06 66.82 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 115.417 1.636 . . . . 10.0 115.417 -176.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 37.4 p -80.11 -11.48 59.75 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 113.595 0.961 . . . . 10.0 113.595 179.256 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 89.0 mt -68.33 154.4 94.24 Favored Pre-proline 0 CA--C 1.551 1.007 0 C-N-CA 123.924 0.89 . . . . 10.0 110.971 176.164 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -52.58 131.13 39.74 Favored 'Trans proline' 0 C--N 1.351 0.708 0 C-N-CA 123.335 2.69 . . . . 10.0 113.192 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -57.88 -39.33 77.59 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.3 0.64 . . . . 10.0 112.512 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -65.63 -39.32 91.34 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.483 0.713 . . . . 10.0 111.713 177.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -65.39 -46.41 80.18 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 121.506 -0.747 . . . . 10.0 110.754 177.28 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 67.5 t -60.92 -47.15 94.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 123.708 0.803 . . . . 10.0 110.291 176.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -58.58 -39.69 81.04 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.924 0.89 . . . . 10.0 112.682 178.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 34.7 m -59.75 -42.64 93.64 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 119.091 0.86 . . . . 10.0 112.367 177.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 27.4 mm -68.59 -43.81 83.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 CA-C-N 119.179 0.899 . . . . 10.0 110.767 177.264 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 84.0 mt -62.32 -34.0 75.77 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 121.314 -0.866 . . . . 10.0 112.257 177.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.01 -7.04 54.94 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.901 1.28 . . . . 10.0 113.974 176.265 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -119.47 -32.03 4.45 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.641 1.176 . . . . 10.0 113.925 -176.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -136.78 -17.27 1.45 Allowed 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 114.557 1.317 . . . . 10.0 114.557 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.84 -0.62 65.31 Favored Glycine 0 CA--C 1.537 1.441 0 N-CA-C 116.083 1.193 . . . . 10.0 116.083 178.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -149.2 158.77 44.45 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 118.827 1.313 . . . . 10.0 113.508 -178.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 78.9 mt -135.33 133.74 52.55 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 C-N-CA 126.284 1.834 . . . . 10.0 110.0 -178.297 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -89.95 135.79 33.43 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.131 1.372 . . . . 10.0 108.756 173.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 66.5 mmm -136.6 157.21 47.31 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 125.599 1.56 . . . . 10.0 111.861 -177.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 56.0 m-70 -128.6 134.8 48.69 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.78 1.232 . . . . 10.0 110.233 176.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 53.8 t -55.85 118.06 4.25 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 126.597 1.959 . . . . 10.0 110.964 179.081 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -65.72 -7.27 14.68 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 113.648 0.981 . . . . 10.0 113.648 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -111.76 -36.41 5.46 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 126.242 1.817 . . . . 10.0 114.076 -177.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 10.5 m -122.28 -10.89 8.45 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 115.584 1.698 . . . . 10.0 115.584 -174.373 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 77.4 -10.29 23.32 Favored Glycine 0 CA--C 1.54 1.64 0 C-N-CA 124.824 1.202 . . . . 10.0 114.83 -177.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -55.85 139.65 45.06 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 126.598 1.959 . . . . 10.0 111.867 178.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 7.8 p-80 -82.53 157.11 23.66 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.293 -0.879 . . . . 10.0 112.92 -178.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -150.65 148.99 29.27 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 126.698 1.999 . . . . 10.0 108.058 179.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 31.8 tp -114.74 139.73 49.46 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.483 1.113 . . . . 10.0 108.33 177.402 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -134.22 142.6 47.43 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.7 1.2 . . . . 10.0 110.062 179.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -121.24 172.12 8.23 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.323 1.449 . . . . 10.0 110.467 -179.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.41 -39.67 70.49 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 121.613 -0.68 . . . . 10.0 112.558 178.173 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 98.3 mmm -68.01 -37.87 81.95 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.706 0.802 . . . . 10.0 112.572 177.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -65.58 -47.85 74.36 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 118.677 0.671 . . . . 10.0 110.397 177.087 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 95.9 mt -61.7 -37.51 78.18 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 C-N-CA 124.827 1.251 . . . . 10.0 110.773 179.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.4 -37.27 85.12 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.244 0.618 . . . . 10.0 112.236 176.155 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -73.32 -43.8 60.18 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 121.136 -0.977 . . . . 10.0 110.649 175.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 53.7 mt -58.25 -38.01 66.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 124.713 1.205 . . . . 10.0 111.271 177.214 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 63.7 ttm-85 -63.14 -27.74 69.59 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 126.117 1.767 . . . . 10.0 112.713 177.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 63.0 m-80 -103.87 16.44 26.32 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 126.332 1.853 . . . . 10.0 111.632 177.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 65.0 t30 49.31 40.6 18.69 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 126.73 2.012 . . . . 10.0 112.617 -177.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -115.47 21.48 14.0 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 126.041 1.736 . . . . 10.0 112.629 -177.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.3 m . . . . . 0 C--O 1.252 1.205 0 C-N-CA 128.834 2.854 . . . . 10.0 114.953 -179.729 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.9 ptm . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 120.891 0.377 . . . . 10.0 111.043 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -80.24 14.37 1.96 Allowed 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 116.218 1.932 . . . . 10.0 116.218 -174.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 19.3 m -136.7 40.23 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 C-N-CA 125.939 1.695 . . . . 10.0 113.018 -178.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -78.77 40.35 0.38 Allowed 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 126.182 1.793 . . . . 10.0 114.241 -179.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -73.36 33.6 0.08 Allowed 'General case' 0 CA--C 1.554 1.128 0 C-N-CA 125.823 1.649 . . . . 10.0 113.657 176.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.2 ttpp -74.81 25.84 0.09 Allowed 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 128.45 2.7 . . . . 10.0 115.368 -178.264 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.8 t -136.12 122.18 20.19 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 128.672 2.789 . . . . 10.0 108.245 179.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 72.9 p -76.78 -13.22 60.04 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 114.196 1.184 . . . . 10.0 114.196 -176.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 28.7 p -110.61 -122.05 0.27 Allowed 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 126.272 1.829 . . . . 10.0 111.525 179.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 35.6 t -161.94 163.99 28.72 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 125.624 1.569 . . . . 10.0 112.28 -178.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 74.5 ttt-85 -55.1 -30.45 59.74 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 126.153 1.781 . . . . 10.0 111.316 173.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -57.18 -37.12 71.67 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.358 1.463 . . . . 10.0 112.844 178.338 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 83.4 mtt180 -67.52 -43.13 81.54 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 119.148 0.885 . . . . 10.0 111.104 175.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 9.1 t -63.08 -41.11 99.35 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.622 0.769 . . . . 10.0 110.964 176.076 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.08 -44.74 96.02 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.007 1.323 . . . . 10.0 111.576 176.179 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -60.93 -39.55 89.87 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.026 0.93 . . . . 10.0 111.918 177.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.81 -33.54 76.09 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.62 0.768 . . . . 10.0 112.603 175.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.6 tp -75.77 -43.82 44.59 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.95 1.3 . . . . 10.0 110.996 178.002 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.8 pttt -56.33 -28.71 59.81 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 114.765 1.394 . . . . 10.0 114.765 -177.289 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 38.2 p -81.9 -10.44 59.29 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 114.323 1.231 . . . . 10.0 114.323 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 94.6 mt -68.26 153.9 94.86 Favored Pre-proline 0 CA--C 1.55 0.95 0 CA-C-N 119.329 0.968 . . . . 10.0 111.484 178.033 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -52.31 133.8 49.15 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 123.453 2.768 . . . . 10.0 113.031 179.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -56.35 -41.51 76.26 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.62 0.768 . . . . 10.0 112.098 179.27 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -61.54 -40.82 96.06 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.696 1.198 . . . . 10.0 112.454 178.394 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -69.49 -45.87 67.95 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.506 0.722 . . . . 10.0 111.031 178.072 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.4 t -60.37 -48.38 88.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 123.656 0.782 . . . . 10.0 110.287 177.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -62.69 -38.25 89.65 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.848 0.859 . . . . 10.0 112.56 177.521 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 74.0 m -60.94 -42.01 97.34 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 118.709 0.686 . . . . 10.0 112.41 178.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 68.9 mt -67.71 -44.06 86.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 CA-C-N 118.711 0.687 . . . . 10.0 109.934 177.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 95.7 mt -60.92 -37.95 84.07 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.329 -0.857 . . . . 10.0 112.057 176.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.3 -15.04 63.42 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 124.247 1.019 . . . . 10.0 113.729 176.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -108.32 -28.43 9.42 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.035 1.334 . . . . 10.0 114.016 -178.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -140.99 -8.28 1.04 Allowed 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 115.892 1.812 . . . . 10.0 115.892 -177.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 73.54 -3.89 30.84 Favored Glycine 0 CA--C 1.539 1.568 0 O-C-N 120.943 -1.098 . . . . 10.0 115.754 179.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -152.91 161.6 42.35 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.308 1.443 . . . . 10.0 112.197 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 20.1 mt -134.1 136.55 53.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 C-N-CA 126.885 2.074 . . . . 10.0 110.065 -175.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -98.19 129.8 44.95 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.749 1.219 . . . . 10.0 108.514 173.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 15.1 tpt -128.8 149.22 50.82 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.475 1.11 . . . . 10.0 111.066 -177.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 61.7 t60 -99.81 141.61 32.39 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.265 1.426 . . . . 10.0 113.844 -175.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 53.6 t -87.91 89.43 7.99 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.827 1.651 . . . . 10.0 108.162 174.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -58.5 -24.19 59.84 Favored 'General case' 0 CA--C 1.549 0.925 0 O-C-N 121.408 -0.807 . . . . 10.0 113.031 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -72.03 -38.09 69.62 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 126.138 1.775 . . . . 10.0 114.689 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 32.0 m -123.17 -24.25 4.74 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 115.707 1.743 . . . . 10.0 115.707 -174.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.98 -2.58 44.56 Favored Glycine 0 CA--C 1.539 1.577 0 C-N-CA 125.242 1.401 . . . . 10.0 114.009 -178.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -75.12 -172.34 1.65 Allowed 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 126.113 1.765 . . . . 10.0 112.838 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -146.46 163.21 36.4 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.902 1.281 . . . . 10.0 111.029 176.128 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -148.72 156.78 42.83 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 125.719 1.608 . . . . 10.0 108.842 -178.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 58.7 mt -113.74 142.06 46.51 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.799 0.84 . . . . 10.0 111.055 -179.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -135.31 141.84 45.72 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 126.093 1.757 . . . . 10.0 110.069 -178.059 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 24.9 p30 -121.48 175.8 6.0 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.244 1.018 . . . . 10.0 111.823 179.061 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.2 -41.81 72.46 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 113.496 0.924 . . . . 10.0 113.496 -178.082 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 26.5 mmt -70.6 -38.92 74.05 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.201 0.601 . . . . 10.0 112.511 178.097 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -70.91 -40.68 72.01 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 121.267 -0.895 . . . . 10.0 111.579 179.205 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 74.0 mt -64.14 -35.89 75.22 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 C-N-CA 124.523 1.129 . . . . 10.0 109.881 174.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.25 -38.27 90.45 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.703 -0.623 . . . . 10.0 111.19 175.306 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -70.93 -36.55 72.68 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 121.22 -0.925 . . . . 10.0 111.363 175.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 57.0 mt -61.45 -42.78 95.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 O-C-N 121.539 -0.726 . . . . 10.0 109.434 173.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.9 mmp_? -65.92 -29.37 69.78 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.107 1.363 . . . . 10.0 112.392 174.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -75.16 -33.28 61.47 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.51 0.724 . . . . 10.0 111.896 175.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -77.79 -37.3 49.16 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.797 1.639 . . . . 10.0 112.973 179.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -148.08 144.4 27.84 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.96 1.304 . . . . 10.0 111.809 179.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.0 m . . . . . 0 C--O 1.251 1.154 0 C-N-CA 126.864 2.066 . . . . 10.0 114.415 -178.93 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.7 ttt . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 119.487 -0.292 . . . . 10.0 110.564 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -68.41 155.12 40.48 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.25 1.02 . . . . 10.0 113.501 179.079 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.5 p -158.62 152.88 6.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 126.03 1.732 . . . . 10.0 110.115 178.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -72.67 97.14 2.11 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.306 1.042 . . . . 10.0 111.016 178.031 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -145.09 155.37 43.29 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.121 1.368 . . . . 10.0 111.863 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -62.7 154.85 28.1 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 127.202 2.201 . . . . 10.0 112.91 -179.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 41.9 t -56.49 134.15 53.83 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.244 1.818 . . . . 10.0 111.992 176.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 89.7 m -72.27 -20.93 61.45 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.889 1.276 . . . . 10.0 111.947 177.429 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.6 p -125.19 -104.3 0.35 Allowed 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 127.23 2.212 . . . . 10.0 111.633 -178.176 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.6 t -164.03 166.08 21.81 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.691 1.197 . . . . 10.0 113.196 -178.49 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.6 ttp180 -55.14 -30.47 59.87 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 125.349 1.46 . . . . 10.0 111.46 174.026 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -56.92 -35.2 68.75 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.896 1.278 . . . . 10.0 112.514 178.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.6 mmm180 -69.45 -41.8 75.77 Favored 'General case' 0 N--CA 1.477 0.908 0 O-C-N 121.319 -0.863 . . . . 10.0 111.357 175.097 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 9.1 t -64.5 -39.05 93.06 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 123.991 0.916 . . . . 10.0 110.983 175.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.07 -44.46 96.63 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.982 1.313 . . . . 10.0 111.479 175.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -61.94 -36.62 81.94 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.182 0.993 . . . . 10.0 111.204 176.352 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.79 -33.66 68.75 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.186 0.994 . . . . 10.0 112.756 174.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.9 tp -70.42 -42.62 71.35 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.468 1.507 . . . . 10.0 111.199 178.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.5 pttm -57.64 -24.22 55.34 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 115.623 1.712 . . . . 10.0 115.623 -177.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 68.6 p -86.8 -11.93 49.52 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 113.657 0.984 . . . . 10.0 113.657 179.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 80.2 mt -70.16 156.49 91.75 Favored Pre-proline 0 CA--C 1.55 0.95 0 C-N-CA 124.088 0.955 . . . . 10.0 110.872 176.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -51.53 115.81 2.32 Favored 'Trans proline' 0 C--N 1.352 0.751 0 C-N-CA 123.55 2.833 . . . . 10.0 112.623 178.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -57.92 -35.65 71.37 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 113.157 0.799 . . . . 10.0 113.157 -177.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -65.27 -38.41 90.19 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.847 0.859 . . . . 10.0 112.065 177.382 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -69.52 -43.36 73.2 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 121.295 -0.878 . . . . 10.0 110.179 175.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 42.7 t -57.91 -47.48 86.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 124.513 1.125 . . . . 10.0 109.821 175.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -65.47 -36.55 84.22 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.537 0.735 . . . . 10.0 112.683 177.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.0 m -61.26 -40.26 93.45 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.486 0.714 . . . . 10.0 111.74 177.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 75.6 mt -68.27 -45.0 83.51 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 123.14 0.576 . . . . 10.0 109.671 175.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 61.1 mt -59.04 -37.56 77.29 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 121.143 -0.973 . . . . 10.0 112.337 176.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.27 -6.42 34.77 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 114.527 1.306 . . . . 10.0 114.527 177.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -127.69 -27.82 2.79 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 114.25 1.204 . . . . 10.0 114.25 -177.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -128.4 -16.31 4.41 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.447 1.499 . . . . 10.0 114.617 -179.628 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.84 -0.83 42.47 Favored Glycine 0 CA--C 1.54 1.618 0 N-CA-C 116.043 1.177 . . . . 10.0 116.043 179.121 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -157.68 161.28 38.57 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.761 1.624 . . . . 10.0 111.671 179.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 16.8 mt -133.63 136.11 54.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 125.619 1.568 . . . . 10.0 109.614 -179.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -103.23 126.44 50.4 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.908 1.683 . . . . 10.0 109.668 176.102 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 28.0 ttt -138.84 149.44 44.91 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.242 1.017 . . . . 10.0 112.362 -177.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 78.1 m-70 -95.35 134.38 38.2 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.3 1.04 . . . . 10.0 110.219 176.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 38.3 t -54.75 121.84 9.42 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.568 1.547 . . . . 10.0 110.906 178.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -63.06 -9.32 9.94 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 115.101 1.519 . . . . 10.0 115.101 -177.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -105.55 -33.92 7.94 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 115.119 1.525 . . . . 10.0 115.119 -176.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 7.5 p -140.62 -0.57 1.54 Allowed 'General case' 0 CA--C 1.551 0.983 0 N-CA-C 116.194 1.924 . . . . 10.0 116.194 -176.245 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 81.7 -2.8 81.84 Favored Glycine 0 CA--C 1.534 1.26 0 N-CA-C 117.596 1.798 . . . . 10.0 117.596 174.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 15.1 t30 -60.85 135.26 57.73 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 120.063 1.931 . . . . 10.0 111.316 178.4 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 15.7 p80 -82.4 143.0 31.51 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 121.408 -0.807 . . . . 10.0 112.253 -179.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -143.74 157.29 44.5 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 126.229 1.812 . . . . 10.0 108.893 179.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.435 ' H ' HD23 ' A' ' 48' ' ' LEU . 1.6 pt? -114.99 146.97 40.68 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.075 0.95 . . . . 10.0 111.968 178.311 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -130.53 126.46 36.87 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 125.534 1.534 . . . . 10.0 109.921 179.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 25.8 m-80 -93.53 171.75 8.7 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.418 1.087 . . . . 10.0 111.407 -178.139 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.38 -39.07 75.28 Favored 'General case' 0 CA--C 1.545 0.75 0 O-C-N 121.723 -0.611 . . . . 10.0 111.234 174.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 67.6 mtt -67.34 -39.25 85.79 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.389 1.076 . . . . 10.0 112.343 177.038 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -62.53 -48.05 81.25 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 118.596 0.635 . . . . 10.0 110.381 177.122 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 48.6 mt -66.57 -37.57 79.85 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 C-N-CA 124.198 0.999 . . . . 10.0 111.172 179.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.07 -36.01 78.47 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 118.932 0.787 . . . . 10.0 111.87 174.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -72.36 -45.12 61.24 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 121.524 -0.735 . . . . 10.0 110.642 175.425 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 73.4 mt -57.85 -41.74 80.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 123.729 0.811 . . . . 10.0 110.085 177.126 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -61.24 -17.26 52.43 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 125.963 1.705 . . . . 10.0 115.168 177.15 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -127.04 0.4 6.54 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 115.182 1.549 . . . . 10.0 115.182 179.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -131.13 -21.67 2.62 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.091 1.357 . . . . 10.0 114.075 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 53.26 17.95 1.14 Allowed 'General case' 0 CA--C 1.555 1.144 0 N-CA-C 117.11 2.263 . . . . 10.0 117.11 177.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 49.7 m . . . . . 0 C--O 1.254 1.295 0 C-N-CA 128.15 2.58 . . . . 10.0 114.995 179.36 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.6 tpt . . . . . 0 N--CA 1.486 1.348 0 N-CA-C 110.363 -0.236 . . . . 10.0 110.363 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -148.91 157.22 43.27 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.239 1.416 . . . . 10.0 111.261 179.353 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.1 t -62.41 138.14 23.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 125.35 1.46 . . . . 10.0 112.907 -177.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -87.58 50.53 2.02 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 125.518 1.527 . . . . 10.0 111.312 178.02 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -131.52 38.2 3.61 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.623 1.569 . . . . 10.0 112.088 -177.322 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.1 pttm -122.1 4.1 9.85 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 126.356 1.862 . . . . 10.0 115.655 -179.193 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.3 t -156.86 122.79 4.83 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 129.69 3.196 . . . . 10.0 108.617 175.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.2 t -64.63 -18.47 64.96 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 114.181 1.178 . . . . 10.0 114.181 -178.205 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 p -126.77 0.39 6.72 Favored 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 127.059 2.143 . . . . 10.0 114.8 -175.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.3 t 62.37 174.14 0.14 Allowed 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 127.32 2.248 . . . . 10.0 116.751 177.388 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.82 -33.25 64.28 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 127.228 2.211 . . . . 10.0 111.839 176.163 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.5 tm-20 -54.72 -44.11 73.21 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 125.009 1.324 . . . . 10.0 112.948 -178.556 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -69.58 -37.48 76.99 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 118.875 0.762 . . . . 10.0 112.481 176.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 16.6 t -66.5 -42.03 88.01 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.48 0.712 . . . . 10.0 111.306 176.197 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.98 -45.8 92.03 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.121 1.368 . . . . 10.0 111.423 176.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -62.84 -36.42 83.16 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.374 0.669 . . . . 10.0 111.93 177.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.8 -40.69 75.81 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.425 0.69 . . . . 10.0 112.664 176.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.7 tp -62.39 -41.71 98.86 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.236 1.414 . . . . 10.0 112.421 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.5 pttt -59.44 -20.78 57.73 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 114.456 1.28 . . . . 10.0 114.456 -179.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 29.3 p -71.29 -21.66 62.05 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.048 0.939 . . . . 10.0 113.393 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 88.6 mt -69.76 141.7 90.32 Favored Pre-proline 0 CA--C 1.546 0.819 0 C-N-CA 123.901 0.88 . . . . 10.0 110.563 177.412 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_exo -52.0 128.82 28.27 Favored 'Trans proline' 0 C--N 1.352 0.712 0 C-N-CA 123.213 2.609 . . . . 10.0 112.552 178.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -55.58 -36.0 66.41 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.692 0.797 . . . . 10.0 113.011 -178.576 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -62.87 -42.3 99.7 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.682 0.793 . . . . 10.0 112.152 177.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -69.94 -40.03 75.74 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.334 -0.854 . . . . 10.0 111.517 176.364 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.53 -45.53 96.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 123.899 0.88 . . . . 10.0 109.916 176.31 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -61.09 -39.18 88.96 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.081 0.953 . . . . 10.0 112.228 176.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 75.7 m -59.93 -40.76 90.0 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 119.228 0.922 . . . . 10.0 112.199 176.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 80.9 mt -68.03 -46.19 82.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 123.558 0.743 . . . . 10.0 109.993 177.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 93.8 mt -59.74 -36.65 77.03 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 121.445 -0.785 . . . . 10.0 111.679 177.134 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.01 -11.1 56.05 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 114.909 1.448 . . . . 10.0 114.909 177.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -122.72 -11.73 8.17 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 114.912 1.449 . . . . 10.0 114.912 179.387 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -141.69 -14.79 0.83 Allowed 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 115.159 1.54 . . . . 10.0 115.159 179.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.73 -4.69 20.62 Favored Glycine 0 CA--C 1.538 1.51 0 C-N-CA 125.108 1.337 . . . . 10.0 115.932 178.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -155.97 168.13 28.21 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.418 1.487 . . . . 10.0 111.986 -179.239 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 65.2 mt -135.2 129.91 50.77 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 C-N-CA 126.436 1.894 . . . . 10.0 109.885 -177.337 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -91.92 105.06 17.41 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 107.177 -1.416 . . . . 10.0 107.177 173.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.91 153.31 23.74 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 124.68 1.192 . . . . 10.0 111.712 -175.683 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 71.5 m80 -118.89 136.07 54.24 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.349 1.06 . . . . 10.0 111.424 179.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 13.8 t -73.84 86.25 1.73 Allowed 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 127.16 2.184 . . . . 10.0 109.451 178.093 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -51.94 -22.3 3.78 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.08 1.352 . . . . 10.0 114.494 -177.349 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -65.68 -33.48 75.99 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 127.005 2.122 . . . . 10.0 114.277 177.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 31.2 p -139.97 -28.96 0.73 Allowed 'General case' 0 CA--C 1.549 0.928 0 N-CA-C 116.43 2.011 . . . . 10.0 116.43 -178.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.72 -4.49 17.0 Favored Glycine 0 CA--C 1.537 1.45 0 C-N-CA 125.522 1.534 . . . . 10.0 115.748 178.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -64.33 168.14 6.0 Favored 'General case' 0 CA--C 1.552 1.036 0 CA-C-N 119.19 1.495 . . . . 10.0 112.666 179.082 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -122.19 150.6 42.03 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.573 1.549 . . . . 10.0 112.535 179.087 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -150.96 152.75 34.03 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 125.736 1.614 . . . . 10.0 109.592 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 88.6 mt -106.47 141.81 37.16 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.034 0.533 . . . . 10.0 110.604 178.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -134.89 146.06 48.84 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.847 1.259 . . . . 10.0 110.702 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.3 p30 -127.34 175.69 8.0 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.706 1.603 . . . . 10.0 111.117 179.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.44 -42.49 74.29 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 113.575 0.954 . . . . 10.0 113.575 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 21.3 mmt -70.72 -40.61 72.7 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.511 0.724 . . . . 10.0 112.249 178.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.65 -43.39 98.93 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 121.398 -0.814 . . . . 10.0 110.577 175.724 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 75.3 mt -64.96 -40.38 88.89 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 C-N-CA 124.369 1.068 . . . . 10.0 110.512 177.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.63 -36.9 85.35 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 121.457 -0.777 . . . . 10.0 111.819 175.25 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -68.89 -42.89 76.32 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.379 -0.825 . . . . 10.0 110.368 175.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 51.0 mt -58.11 -42.58 83.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 124.045 0.938 . . . . 10.0 110.117 176.305 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 60.8 mtp180 -66.0 -10.99 44.7 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 126.091 1.756 . . . . 10.0 114.979 176.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 63.0 m-80 -129.95 -5.05 4.51 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 115.435 1.643 . . . . 10.0 115.435 -177.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -140.15 -8.73 1.16 Allowed 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.089 1.356 . . . . 10.0 114.382 -178.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -129.43 21.98 5.59 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 124.493 1.117 . . . . 10.0 112.683 178.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.3 m . . . . . 0 C--O 1.252 1.231 0 C-N-CA 126.993 2.117 . . . . 10.0 113.275 178.779 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.8 tpt . . . . . 0 N--CA 1.487 1.409 0 N-CA-C 110.41 -0.219 . . . . 10.0 110.41 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -133.17 52.79 2.06 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.845 1.258 . . . . 10.0 112.837 -177.061 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.9 p -147.86 156.42 9.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 124.957 1.303 . . . . 10.0 111.269 178.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -139.16 65.29 1.45 Allowed 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.602 1.561 . . . . 10.0 109.561 178.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -66.31 139.86 58.08 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.169 1.388 . . . . 10.0 113.309 -177.181 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.6 ptmt -161.68 171.96 17.04 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 127.154 2.181 . . . . 10.0 110.717 175.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 43.2 t -56.56 121.16 9.04 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.084 1.354 . . . . 10.0 109.618 173.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 71.5 p -69.74 -13.36 62.25 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 115.332 1.604 . . . . 10.0 115.332 -175.361 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 25.5 p -121.97 -13.88 8.13 Favored 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 115.028 1.492 . . . . 10.0 115.028 -178.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 31.8 m 55.59 -175.14 0.05 OUTLIER 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 127.2 2.2 . . . . 10.0 115.948 178.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.7 ttp180 -55.11 -29.9 58.62 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 125.084 1.353 . . . . 10.0 113.321 -179.626 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -52.34 -42.33 63.78 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.251 1.421 . . . . 10.0 113.225 -179.421 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 49.2 mtt180 -66.53 -42.4 87.28 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-N 119.59 1.086 . . . . 10.0 111.763 175.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 60.5 m -63.25 -39.27 94.13 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 118.674 0.67 . . . . 10.0 111.166 175.531 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.0 -43.77 98.14 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.958 0.903 . . . . 10.0 111.105 176.145 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -65.02 -42.18 94.61 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.633 -0.667 . . . . 10.0 111.636 176.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.8 -33.55 74.31 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.032 0.933 . . . . 10.0 112.256 175.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 15.8 tp -75.19 -44.98 43.52 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.84 1.656 . . . . 10.0 110.64 177.217 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.19 -24.3 64.67 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 116.566 2.061 . . . . 10.0 116.566 -177.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 42.5 p -78.3 -16.01 58.18 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 113.324 0.861 . . . . 10.0 113.324 178.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 87.2 mt -72.03 155.34 91.95 Favored Pre-proline 0 CA--C 1.547 0.86 0 C-N-CA 124.403 1.081 . . . . 10.0 111.335 177.218 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -54.89 139.28 78.7 Favored 'Trans proline' 0 C--N 1.351 0.701 0 C-N-CA 122.858 2.372 . . . . 10.0 111.55 176.248 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -57.06 -42.0 79.75 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 121.6 -0.687 . . . . 10.0 112.25 -179.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -62.17 -30.98 71.44 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 113.899 1.074 . . . . 10.0 113.899 177.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -69.23 -36.57 77.33 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.136 0.974 . . . . 10.0 111.182 175.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 98.3 t -75.9 -45.25 37.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 124.465 1.106 . . . . 10.0 110.527 176.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -62.43 -36.49 82.56 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.098 1.359 . . . . 10.0 113.915 -178.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 94.0 p -61.51 -35.29 77.29 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 113.065 0.765 . . . . 10.0 113.065 179.234 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 8.9 mm -68.52 -38.25 78.9 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 CA-C-N 119.06 0.846 . . . . 10.0 110.591 177.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 64.2 mt -62.1 -30.36 70.96 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.191 -0.943 . . . . 10.0 112.224 175.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.48 -6.2 57.8 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 124.778 1.231 . . . . 10.0 114.051 176.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -124.86 -26.65 3.72 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 114.602 1.334 . . . . 10.0 114.602 -177.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -138.79 -25.96 0.88 Allowed 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 114.25 1.204 . . . . 10.0 114.25 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.06 -2.93 88.01 Favored Glycine 0 CA--C 1.538 1.483 0 N-CA-C 115.667 1.027 . . . . 10.0 115.667 178.056 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -151.17 163.0 39.84 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.938 1.695 . . . . 10.0 111.22 179.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 73.4 mt -131.24 136.47 57.64 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 C-N-CA 126.159 1.783 . . . . 10.0 109.116 179.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -108.05 133.06 52.88 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 125.363 1.465 . . . . 10.0 109.014 176.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 14.9 ttt -136.6 139.32 42.03 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.646 0.779 . . . . 10.0 111.841 -177.529 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 15.6 t60 -94.64 134.63 37.0 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.656 1.183 . . . . 10.0 111.472 -178.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 41.9 t -80.18 80.8 6.55 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.514 1.526 . . . . 10.0 108.607 175.24 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -57.23 -20.94 30.37 Favored 'General case' 0 CA--C 1.548 0.867 0 O-C-N 121.321 -0.862 . . . . 10.0 112.423 178.328 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -68.58 -39.59 80.89 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.544 1.938 . . . . 10.0 113.991 178.039 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 28.1 m -127.06 -28.64 2.86 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 116.303 1.964 . . . . 10.0 116.303 -173.459 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 116.05 -9.91 18.1 Favored Glycine 0 CA--C 1.54 1.599 0 C-N-CA 125.537 1.542 . . . . 10.0 115.258 179.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 54.9 t30 -75.21 -173.95 2.18 Favored 'General case' 0 CA--C 1.555 1.144 0 C-N-CA 125.336 1.454 . . . . 10.0 112.658 179.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -143.53 163.11 34.09 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.355 1.462 . . . . 10.0 109.742 173.378 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -147.46 153.97 40.22 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 124.739 1.215 . . . . 10.0 109.508 -177.404 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 94.3 mt -114.45 147.5 39.2 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.892 0.877 . . . . 10.0 110.487 179.022 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -134.59 139.27 45.22 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 125.252 1.421 . . . . 10.0 110.222 179.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.4 p30 -121.71 -178.97 3.96 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.306 1.043 . . . . 10.0 113.091 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.8 -38.33 69.82 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 113.559 0.948 . . . . 10.0 113.559 179.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 65.0 mtt -70.42 -38.71 74.62 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.46 0.704 . . . . 10.0 111.667 177.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -63.21 -46.79 85.33 Favored 'General case' 0 N--CA 1.467 0.411 0 O-C-N 121.706 -0.621 . . . . 10.0 110.367 175.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 48.3 mt -63.83 -38.39 82.22 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 C-N-CA 124.665 1.186 . . . . 10.0 110.856 178.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.69 -36.04 79.73 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 118.765 0.711 . . . . 10.0 111.894 175.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -73.43 -43.67 59.9 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 121.562 -0.711 . . . . 10.0 110.821 174.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 71.8 mt -58.23 -36.42 57.66 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.824 0 O-C-N 120.876 -1.14 . . . . 10.0 110.531 175.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 84.3 mtt180 -64.37 -15.94 61.37 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 126.159 1.783 . . . . 10.0 113.727 175.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . 0.25 12.8 p30 -111.1 25.54 11.65 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 125.499 1.519 . . . . 10.0 111.535 173.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 61.6 t30 62.13 35.13 15.89 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 128.331 2.652 . . . . 10.0 114.844 177.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.9 -13.68 61.97 Favored 'General case' 0 CA--C 1.553 1.067 0 N-CA-C 114.372 1.249 . . . . 10.0 114.372 177.34 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 48.5 m . . . . . 0 C--O 1.25 1.088 0 C-N-CA 126.749 2.019 . . . . 10.0 111.183 179.607 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.9 tpt . . . . . 0 N--CA 1.485 1.282 0 N-CA-C 110.271 -0.27 . . . . 10.0 110.271 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -155.22 151.53 28.23 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.931 1.693 . . . . 10.0 110.699 179.248 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.9 p -64.89 133.99 29.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 123.754 0.822 . . . . 10.0 112.101 -179.194 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -150.16 157.92 43.62 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.304 1.442 . . . . 10.0 110.595 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -136.16 52.01 2.0 Allowed 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 126.86 2.064 . . . . 10.0 110.18 -178.431 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.2 ttmt -134.08 24.45 3.89 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 126.946 2.098 . . . . 10.0 113.158 -173.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 7.7 t -49.82 110.18 0.36 Allowed 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 127.335 2.254 . . . . 10.0 113.464 -177.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.0 t -77.03 -34.46 57.31 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.697 0.799 . . . . 10.0 112.835 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 6.9 p -83.57 -5.52 59.19 Favored 'General case' 0 CA--C 1.555 1.14 0 C-N-CA 126.116 1.766 . . . . 10.0 114.16 179.145 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.6 t 76.15 171.54 0.25 Allowed 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 128.44 2.696 . . . . 10.0 117.68 173.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 32.6 ttt180 -54.66 -30.29 54.94 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 128.307 2.643 . . . . 10.0 112.626 177.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -56.99 -35.22 68.94 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.979 0.912 . . . . 10.0 112.335 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.8 mmp_? -69.23 -45.95 68.56 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.712 0.805 . . . . 10.0 111.665 176.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 8.6 t -63.83 -37.83 88.84 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.386 1.074 . . . . 10.0 111.339 176.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.62 -44.53 93.66 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.721 1.208 . . . . 10.0 110.758 175.602 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -63.23 -37.6 87.89 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.566 -0.709 . . . . 10.0 111.546 176.009 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.06 -33.83 76.29 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 123.493 0.717 . . . . 10.0 112.0 175.062 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.3 tp -76.06 -43.04 45.6 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.713 1.605 . . . . 10.0 110.742 176.005 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -50.93 -36.6 39.42 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 127.636 2.374 . . . . 10.0 114.605 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 52.0 p -77.77 -13.06 60.01 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 114.547 1.314 . . . . 10.0 114.547 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 78.5 mt -70.63 154.01 94.61 Favored Pre-proline 0 CA--C 1.55 0.976 0 CA-C-N 119.539 1.063 . . . . 10.0 111.194 177.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -53.72 132.19 47.98 Favored 'Trans proline' 0 C--N 1.352 0.719 0 C-N-CA 123.253 2.635 . . . . 10.0 113.083 179.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -57.49 -40.28 78.29 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.782 0.833 . . . . 10.0 113.028 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -63.85 -38.45 91.15 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.64 1.176 . . . . 10.0 112.672 177.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -69.26 -43.59 73.63 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.487 -0.758 . . . . 10.0 110.618 178.023 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 71.0 t -61.47 -48.68 87.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 123.69 0.796 . . . . 10.0 109.905 176.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -60.17 -39.92 88.1 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.012 0.925 . . . . 10.0 112.478 177.544 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.6 t -60.25 -45.72 92.27 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.801 0.84 . . . . 10.0 112.104 178.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 63.1 mt -65.12 -44.35 95.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 O-C-N 121.438 -0.789 . . . . 10.0 110.366 177.019 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 72.1 mt -59.81 -35.04 73.88 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 121.382 -0.824 . . . . 10.0 112.271 177.301 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.78 -8.44 54.26 Favored 'General case' 0 CA--C 1.55 0.974 0 N-CA-C 114.337 1.236 . . . . 10.0 114.337 177.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -122.68 -23.62 5.07 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 114.571 1.323 . . . . 10.0 114.571 -179.048 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -139.1 -17.57 1.04 Allowed 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 115.233 1.568 . . . . 10.0 115.233 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 77.02 -1.08 64.48 Favored Glycine 0 CA--C 1.539 1.554 0 N-CA-C 116.123 1.209 . . . . 10.0 116.123 178.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -151.39 160.51 43.71 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 118.904 1.352 . . . . 10.0 113.178 179.276 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 95.4 mt -134.24 136.32 53.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 126.494 1.918 . . . . 10.0 110.421 -177.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -96.4 127.15 42.13 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.342 1.457 . . . . 10.0 107.841 172.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 13.4 tpt -137.04 160.36 39.16 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.022 1.329 . . . . 10.0 111.623 -176.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -126.29 140.21 52.7 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.171 0.988 . . . . 10.0 112.114 177.766 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 36.6 t -60.51 116.88 4.66 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 126.599 1.96 . . . . 10.0 110.461 179.119 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -63.74 -13.89 47.67 Favored 'General case' 0 CA--C 1.549 0.934 0 N-CA-C 113.764 1.024 . . . . 10.0 113.764 -179.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -89.13 -37.71 14.86 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.976 1.71 . . . . 10.0 114.519 -177.088 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 23.0 p -139.19 -0.46 1.83 Allowed 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 116.582 2.067 . . . . 10.0 116.582 -177.401 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 81.32 -2.59 81.28 Favored Glycine 0 CA--C 1.537 1.459 0 N-CA-C 116.251 1.26 . . . . 10.0 116.251 177.008 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -61.49 134.85 57.34 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 118.881 1.34 . . . . 10.0 111.653 178.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -87.24 154.53 20.64 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 113.666 0.987 . . . . 10.0 113.666 -179.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -152.8 159.44 43.07 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 127.189 2.196 . . . . 10.0 108.649 177.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.416 ' H ' HD23 ' A' ' 48' ' ' LEU . 1.9 pt? -114.77 145.35 42.2 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.336 1.055 . . . . 10.0 110.512 175.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -132.84 145.23 50.79 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.856 1.262 . . . . 10.0 110.898 -179.374 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 14.7 m-80 -118.16 170.47 8.84 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.867 1.267 . . . . 10.0 111.152 -177.113 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.72 -37.35 68.31 Favored 'General case' 0 CA--C 1.546 0.808 0 O-C-N 121.481 -0.762 . . . . 10.0 111.933 176.036 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 77.3 mtm -64.73 -39.38 93.53 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.562 1.145 . . . . 10.0 112.228 176.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -69.44 -46.01 67.76 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.455 0.702 . . . . 10.0 110.713 176.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 47.7 mt -62.1 -36.92 76.88 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 C-N-CA 125.15 1.38 . . . . 10.0 111.582 -178.311 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.65 -38.09 83.71 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 118.338 0.517 . . . . 10.0 111.762 174.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -73.37 -43.75 60.03 Favored 'General case' 0 N--CA 1.467 0.419 0 O-C-N 121.536 -0.728 . . . . 10.0 110.538 175.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 71.7 mt -57.98 -37.36 60.71 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 124.844 1.258 . . . . 10.0 111.352 178.156 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -67.65 -13.29 61.96 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 125.7 1.6 . . . . 10.0 113.173 175.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 64.4 m-80 -119.58 24.13 10.8 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 127.702 2.401 . . . . 10.0 110.389 175.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 26.5 t30 47.31 32.28 2.12 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 128.18 2.592 . . . . 10.0 114.589 -178.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 44.33 37.89 2.22 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 127.203 2.201 . . . . 10.0 114.457 -178.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 70.8 m . . . . . 0 C--O 1.252 1.195 0 C-N-CA 126.215 1.806 . . . . 10.0 113.052 -177.182 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_