data_2lp2_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 2lp2 _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 ' 3' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 . . . . . 0 C--O 1.238 0.45 0 N-CA-C 111.729 0.27 . . . . 0.0 111.729 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.7 tt -61.05 -41.26 96.27 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 -179.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -65.06 -37.59 88.05 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.144 178.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 43.9 m -59.31 -40.96 87.89 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 179.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.3 -45.94 85.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.357 179.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 99.1 mtp -59.85 -41.11 90.72 Favored 'General case' 0 C--O 1.247 0.944 0 CA-C-O 121.581 0.705 . . . . 0.0 109.839 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.17 -35.68 81.83 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.542 -0.753 . . . . 0.0 109.926 177.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 49.4 m -64.03 -42.91 96.92 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 119.73 -0.788 . . . . 0.0 109.913 179.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 36.9 mt -61.7 -42.67 99.24 Favored 'General case' 0 C--O 1.241 0.642 0 C-N-CA 119.286 -0.966 . . . . 0.0 108.846 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.9 mt -61.86 -45.18 99.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.994 178.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -61.97 -40.61 96.2 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.948 0.721 . . . . 0.0 112.948 -179.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.3 m -74.58 -41.55 48.64 Favored 'Isoleucine or valine' 0 C--O 1.255 1.382 0 C-N-CA 119.185 -1.006 . . . . 0.0 111.24 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -60.44 -48.09 83.28 Favored 'General case' 0 CA--C 1.513 -0.465 0 C-N-CA 119.111 -1.035 . . . . 0.0 109.826 177.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -63.76 -34.95 79.05 Favored 'General case' 0 CA--C 1.501 -0.926 0 CA-C-N 115.25 -0.887 . . . . 0.0 110.006 178.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.488 ' O ' ' HB2' ' A' ' 21' ' ' LYS . . . -57.85 -51.63 68.81 Favored 'General case' 0 N--CA 1.434 -1.231 0 C-N-CA 118.69 -1.204 . . . . 0.0 109.431 -178.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.458 ' CD2' ' HG ' ' A' ' 36' ' ' LEU . 23.2 m-70 -79.2 -52.18 8.5 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 114.589 1.329 . . . . 0.0 114.589 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.46 ' OG ' ' O ' ' A' ' 25' ' ' LYS . 22.7 t -57.98 -40.9 81.79 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 118.786 -1.166 . . . . 0.0 108.99 -179.23 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.14 -44.16 68.01 Favored Glycine 0 C--N 1.343 0.918 0 CA-C-N 115.223 -0.899 . . . . 0.0 112.097 178.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.488 ' HB2' ' O ' ' A' ' 17' ' ' ALA . 6.0 ttpm? -59.41 -42.21 91.25 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 120.133 -0.627 . . . . 0.0 112.012 -179.22 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.578 ' OE1' ' NZ ' ' A' ' 31' ' ' LYS . 97.2 mt-10 -129.32 151.87 49.49 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.27 -148.22 29.73 Favored Glycine 0 N--CA 1.464 0.552 0 CA-C-N 115.778 -0.646 . . . . 0.0 112.341 177.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -71.14 139.54 50.28 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 179.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.46 ' O ' ' OG ' ' A' ' 19' ' ' SER . 33.9 mtmt -61.62 -32.45 72.59 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.814 -178.141 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.595 ' OH ' ' CD2' ' B' ' 90' ' ' TRP . 96.2 m-85 -106.7 20.12 19.48 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -177.445 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.602 ' NZ ' ' OD2' ' A' ' 66' ' ' ASP . 3.9 tptt -137.97 137.83 38.32 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 119.437 -0.905 . . . . 0.0 109.017 178.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.5 tp -112.12 128.55 56.25 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 -178.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 92.6 p -101.31 166.8 10.57 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 116.69 -0.232 . . . . 0.0 110.882 -179.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.6 ttpt -53.42 -48.35 68.81 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-O 121.057 0.456 . . . . 0.0 112.077 -177.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.578 ' NZ ' ' OE1' ' A' ' 22' ' ' GLU . 17.5 pttp -61.05 -48.49 81.5 Favored 'General case' 0 N--CA 1.441 -0.899 0 C-N-CA 119.887 -0.725 . . . . 0.0 110.111 -178.606 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.56 ' N ' ' CG ' ' A' ' 31' ' ' LYS . 95.1 mt-10 -63.06 -49.91 72.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.244 -178.407 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.2 pp -60.97 -35.69 77.45 Favored 'General case' 0 CA--C 1.498 -1.033 0 C-N-CA 118.7 -1.2 . . . . 0.0 109.921 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.446 ' HG3' HE21 ' A' ' 38' ' ' GLN . 20.6 tptm -55.49 -37.04 67.3 Favored 'General case' 0 N--CA 1.433 -1.302 0 C-N-CA 118.11 -1.436 . . . . 0.0 108.37 178.452 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -75.9 -41.29 52.44 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 112.984 0.735 . . . . 0.0 112.984 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.458 ' HG ' ' CD2' ' A' ' 18' ' ' HIS . 2.7 tt -65.14 -45.45 84.97 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 120.416 -0.514 . . . . 0.0 111.563 -177.118 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.565 ' CD2' ' N ' ' A' ' 37' ' ' LEU . 1.2 mm? -64.54 -42.78 95.51 Favored 'General case' 0 CA--C 1.521 -0.164 0 C-N-CA 118.536 -1.266 . . . . 0.0 111.243 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.446 HE21 ' HG3' ' A' ' 34' ' ' LYS . 49.0 mt-30 -64.5 -39.54 93.98 Favored 'General case' 0 C--O 1.232 0.142 0 C-N-CA 119.942 -0.703 . . . . 0.0 111.861 179.499 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 66.2 p -70.4 -38.21 74.6 Favored 'General case' 0 C--O 1.232 0.134 0 C-N-CA 120.046 -0.661 . . . . 0.0 111.577 -179.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -92.25 -52.97 4.43 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.539 ' O ' ' O ' ' A' ' 37' ' ' LEU . 30.9 mt -104.17 141.59 35.98 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 121.138 0.494 . . . . 0.0 111.136 -179.336 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 m -113.38 -68.26 0.94 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.511 179.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.42 -37.66 88.58 Favored Glycine 0 CA--C 1.53 0.993 0 CA-C-N 115.521 -0.763 . . . . 0.0 113.853 -178.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -60.26 -53.02 62.62 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 118.086 0.943 . . . . 0.0 112.085 -178.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -75.76 -40.1 55.93 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 120.359 -0.536 . . . . 0.0 111.324 178.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -60.45 -33.34 72.41 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.417 -179.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.12 -34.77 70.58 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 -177.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.516 ' C ' ' H ' ' A' ' 50' ' ' ASP . 93.6 mm-40 -61.73 -34.41 75.75 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.123 -0.631 . . . . 0.0 109.637 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 79.5 tttt 67.59 -32.48 0.2 Allowed 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.299 -0.864 . . . . 0.0 112.095 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.516 ' H ' ' C ' ' A' ' 48' ' ' GLN . 88.1 m-20 -70.54 142.67 51.78 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.452 -0.499 . . . . 0.0 111.311 -179.664 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.7 m -72.72 -29.61 30.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.619 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -83.73 1.87 40.6 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.23 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.18 -38.21 76.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.79 -178.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.531 ' CG1' ' N ' ' A' ' 55' ' ' ASP . 7.3 p -59.76 -43.99 92.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 C-N-CA 119.785 -0.766 . . . . 0.0 110.097 179.222 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.531 ' N ' ' CG1' ' A' ' 54' ' ' VAL . 89.3 m-20 -62.86 -43.59 98.39 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.451 179.583 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 51.5 mttp -61.96 -40.32 95.15 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.951 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 69.9 t -66.76 -46.39 85.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.352 -179.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -65.05 -34.33 78.16 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 -178.253 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.3 mtmt -58.93 -41.14 86.63 Favored 'General case' 0 CA--C 1.52 -0.175 0 C-N-CA 119.192 -1.003 . . . . 0.0 110.923 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -65.52 -39.58 91.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.221 0.534 . . . . 0.0 110.961 178.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 71.7 mt -67.71 -35.43 78.78 Favored 'General case' 0 CA--C 1.51 -0.565 0 CA-C-N 115.485 -0.78 . . . . 0.0 112.651 -178.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -72.2 72.56 0.91 Allowed 'General case' 0 N--CA 1.445 -0.691 0 C-N-CA 118.347 -1.341 . . . . 0.0 110.686 -178.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -62.86 -37.56 87.34 Favored 'General case' 0 CA--C 1.497 -1.065 0 N-CA-C 106.92 -1.511 . . . . 0.0 106.92 175.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.482 ' OD1' ' OD2' ' A' ' 66' ' ' ASP . 18.5 t-20 -57.9 -39.74 78.64 Favored 'General case' 0 N--CA 1.429 -1.487 0 CA-C-N 111.567 -2.56 . . . . 0.0 111.28 178.552 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 79.87 18.72 71.98 Favored Glycine 0 CA--C 1.529 0.959 0 C-N-CA 121.396 -0.43 . . . . 0.0 112.94 177.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.602 ' OD2' ' NZ ' ' A' ' 27' ' ' LYS . 54.9 p30 -89.47 2.3 54.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 117.536 0.668 . . . . 0.0 112.508 -179.576 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 87.14 -2.61 86.92 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.655 -0.978 . . . . 0.0 110.655 178.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.505 ' OE1' ' O ' ' A' ' 66' ' ' ASP . 58.6 mp0 -121.2 160.32 24.07 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 115.419 -0.39 . . . . 0.0 110.517 179.532 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 48.3 t -102.87 130.23 53.28 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.584 0 N-CA-C 106.832 -1.544 . . . . 0.0 106.832 176.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 49.0 t0 -100.6 160.94 13.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.127 0.489 . . . . 0.0 111.601 -177.604 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.511 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 1.0 OUTLIER -50.58 -44.11 56.7 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.264 -178.792 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -61.83 -40.47 95.41 Favored 'General case' 0 C--O 1.245 0.847 0 C-N-CA 119.733 -0.787 . . . . 0.0 110.834 178.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 79.5 mt-10 -64.33 -42.69 96.16 Favored 'General case' 0 C--O 1.243 0.714 0 CA-C-O 122.374 1.083 . . . . 0.0 109.698 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.401 ' HH ' ' CD2' ' A' ' 36' ' ' LEU . 62.5 t80 -63.31 -40.82 98.4 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 114.299 -1.318 . . . . 0.0 110.106 178.646 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -60.37 -47.83 90.81 Favored 'Isoleucine or valine' 0 C--O 1.248 1.012 0 CA-C-N 113.779 -1.555 . . . . 0.0 109.825 -178.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 16.8 m -67.29 -34.97 72.43 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.572 0 C-N-CA 117.82 -1.552 . . . . 0.0 109.374 178.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 32.5 tp -56.83 -51.35 69.32 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 118.832 -1.147 . . . . 0.0 111.913 178.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.474 ' O ' ' OG1' ' A' ' 82' ' ' THR . 34.3 m -68.4 -36.22 73.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 C-N-CA 118.659 -1.216 . . . . 0.0 111.662 -178.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.86 -49.03 61.8 Favored 'General case' 0 C--O 1.25 1.081 0 C-N-CA 119.002 -1.079 . . . . 0.0 112.064 -179.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.88 -39.47 94.54 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.416 ' N ' HD13 ' A' ' 81' ' ' LEU . 9.7 mp -65.16 -34.3 78.07 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 119.346 -0.941 . . . . 0.0 109.819 176.644 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.474 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 37.4 m -63.06 -49.94 72.56 Favored 'General case' 0 C--O 1.245 0.831 0 C-N-CA 119.765 -0.774 . . . . 0.0 111.194 179.594 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.2 p -63.99 -39.18 84.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 118.95 -1.1 . . . . 0.0 110.73 178.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.49 -30.45 71.22 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-O 121.18 0.514 . . . . 0.0 109.933 178.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 42.4 t -67.81 -54.37 19.66 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.384 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -55.89 -41.34 74.32 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 118.69 -1.204 . . . . 0.0 108.579 178.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.669 ' O ' ' HB2' ' A' ' 91' ' ' GLU . 87.3 m-20 -59.33 -40.65 87.01 Favored 'General case' 0 C--O 1.2 -1.534 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.547 178.027 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.557 ' O ' ' O ' ' A' ' 91' ' ' GLU . 68.3 t80 -63.58 -40.66 97.53 Favored 'General case' 0 C--N 1.302 -1.482 0 C-N-CA 118.172 -1.411 . . . . 0.0 110.71 179.005 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -64.8 -60.29 3.25 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 120.046 -0.662 . . . . 0.0 112.233 -178.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.594 ' CD2' ' OH ' ' B' ' 26' ' ' TYR . 19.8 t-105 -68.73 -44.27 74.19 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 121.734 0.778 . . . . 0.0 111.55 179.186 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.669 ' HB2' ' O ' ' A' ' 87' ' ' ASN . 60.6 mm-40 . . . . . 0 C--N 1.32 -0.675 0 CA-C-N 114.361 -1.291 . . . . 0.0 111.541 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 . . . . . 0 C--O 1.237 0.441 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 5.7 tt -60.97 -41.29 96.11 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 -179.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.08 -37.54 87.85 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.213 178.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 43.6 m -59.26 -40.89 87.46 Favored 'General case' 0 CA--C 1.515 -0.383 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 178.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.55 -45.84 85.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.346 179.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 99.1 mtp -59.88 -41.12 90.87 Favored 'General case' 0 C--O 1.246 0.878 0 CA-C-O 121.579 0.704 . . . . 0.0 109.887 179.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.08 -36.43 84.29 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.834 177.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 47.5 m -63.17 -43.05 99.36 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 119.759 -0.776 . . . . 0.0 110.177 178.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 43.1 mt -61.86 -42.49 99.12 Favored 'General case' 0 C--O 1.241 0.62 0 C-N-CA 119.23 -0.988 . . . . 0.0 108.868 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.9 mt -61.83 -45.17 99.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.029 178.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -61.97 -40.64 96.31 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.964 0.727 . . . . 0.0 112.964 -179.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 17.2 m -74.56 -41.46 48.79 Favored 'Isoleucine or valine' 0 C--O 1.255 1.347 0 C-N-CA 119.147 -1.021 . . . . 0.0 111.278 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -60.57 -47.95 83.94 Favored 'General case' 0 CA--C 1.513 -0.468 0 C-N-CA 119.052 -1.059 . . . . 0.0 109.864 177.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -63.81 -34.91 78.96 Favored 'General case' 0 CA--C 1.501 -0.926 0 CA-C-N 115.254 -0.884 . . . . 0.0 109.987 178.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.482 ' O ' ' HB2' ' B' ' 21' ' ' LYS . . . -57.96 -51.57 69.1 Favored 'General case' 0 N--CA 1.435 -1.21 0 C-N-CA 118.643 -1.223 . . . . 0.0 109.404 -178.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.473 ' CD2' ' HG ' ' B' ' 36' ' ' LEU . 23.0 m-70 -79.18 -52.23 8.44 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 114.545 1.313 . . . . 0.0 114.545 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.452 ' OG ' ' O ' ' B' ' 25' ' ' LYS . 22.8 t -57.97 -40.96 81.92 Favored 'General case' 0 C--N 1.341 0.218 0 C-N-CA 118.852 -1.139 . . . . 0.0 108.939 -179.249 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.09 -44.11 68.64 Favored Glycine 0 C--N 1.343 0.931 0 CA-C-N 115.265 -0.879 . . . . 0.0 112.175 178.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . 0.482 ' HB2' ' O ' ' B' ' 17' ' ' ALA . 6.0 ttpm? -59.43 -42.21 91.35 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 120.144 -0.622 . . . . 0.0 112.023 -179.256 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.586 ' OE1' ' NZ ' ' B' ' 31' ' ' LYS . 97.2 mt-10 -129.33 151.9 49.47 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 112.813 0.672 . . . . 0.0 112.813 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.23 -148.28 29.45 Favored Glycine 0 N--CA 1.465 0.568 0 CA-C-N 115.802 -0.636 . . . . 0.0 112.361 177.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -71.02 139.42 50.48 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 179.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.452 ' O ' ' OG ' ' B' ' 19' ' ' SER . 33.9 mtmt -61.52 -32.53 72.58 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 -178.161 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.594 ' OH ' ' CD2' ' A' ' 90' ' ' TRP . 96.3 m-85 -106.53 20.02 19.62 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 -177.534 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.61 ' NZ ' ' OD2' ' B' ' 66' ' ' ASP . 4.0 tptt -137.93 137.93 38.48 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 119.438 -0.905 . . . . 0.0 109.119 178.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 14.5 tp -112.18 128.48 56.24 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.161 -0.615 . . . . 0.0 109.368 -178.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 94.1 p -101.29 166.74 10.6 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.673 -0.239 . . . . 0.0 110.915 -179.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 24.6 ttpt -53.41 -48.44 68.71 Favored 'General case' 0 C--O 1.24 0.592 0 CA-C-O 121.096 0.474 . . . . 0.0 112.089 -177.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.586 ' NZ ' ' OE1' ' B' ' 22' ' ' GLU . 17.5 pttp -60.99 -48.52 81.45 Favored 'General case' 0 N--CA 1.441 -0.904 0 C-N-CA 119.943 -0.703 . . . . 0.0 110.063 -178.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.552 ' N ' ' CG ' ' B' ' 31' ' ' LYS . 95.0 mt-10 -63.03 -49.92 72.71 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.095 -0.642 . . . . 0.0 112.25 -178.39 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.2 pp -60.97 -35.71 77.5 Favored 'General case' 0 CA--C 1.499 -1.015 0 C-N-CA 118.71 -1.196 . . . . 0.0 109.908 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.449 ' HG3' HE21 ' B' ' 38' ' ' GLN . 20.7 tptm -55.41 -37.06 67.13 Favored 'General case' 0 N--CA 1.432 -1.354 0 C-N-CA 118.189 -1.404 . . . . 0.0 108.364 178.425 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -75.96 -41.14 52.35 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.473 ' HG ' ' CD2' ' B' ' 18' ' ' HIS . 2.7 tt -65.23 -45.49 84.45 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 120.466 -0.494 . . . . 0.0 111.599 -177.17 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.571 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 1.1 mm? -64.57 -42.65 95.52 Favored 'General case' 0 CA--C 1.521 -0.153 0 C-N-CA 118.504 -1.278 . . . . 0.0 111.304 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.449 HE21 ' HG3' ' B' ' 34' ' ' LYS . 49.0 mt-30 -64.66 -39.47 93.74 Favored 'General case' 0 C--O 1.231 0.108 0 C-N-CA 119.925 -0.71 . . . . 0.0 111.75 179.55 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 67.2 p -70.33 -38.33 74.87 Favored 'General case' 0 C--N 1.333 -0.119 0 C-N-CA 120.102 -0.639 . . . . 0.0 111.57 -179.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -92.17 -53.1 4.38 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.538 ' O ' ' O ' ' B' ' 37' ' ' LEU . 30.5 mt -104.06 141.54 36.04 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 121.248 0.546 . . . . 0.0 111.116 -179.27 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.4 m -113.41 -68.06 0.95 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.598 179.094 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.44 -37.72 88.87 Favored Glycine 0 CA--C 1.531 1.05 0 CA-C-N 115.621 -0.718 . . . . 0.0 113.855 -178.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -60.19 -53.11 61.66 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 117.965 0.883 . . . . 0.0 112.14 -178.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -75.69 -40.18 56.28 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 120.381 -0.528 . . . . 0.0 111.331 178.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -60.43 -33.22 72.22 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.513 -179.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.24 -34.63 70.66 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -177.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.515 ' C ' ' H ' ' B' ' 50' ' ' ASP . 93.6 mm-40 -61.85 -34.31 75.75 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.105 -0.638 . . . . 0.0 109.7 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 79.5 tttt 67.59 -32.51 0.2 Allowed 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.28 -0.873 . . . . 0.0 112.091 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . 0.515 ' H ' ' C ' ' B' ' 48' ' ' GLN . 88.1 m-20 -70.55 142.78 51.76 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.417 -0.513 . . . . 0.0 111.32 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 4.7 m -72.81 -29.61 30.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.614 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -83.75 1.82 40.91 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.245 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.11 -38.23 76.07 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.773 -179.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.537 ' CG1' ' N ' ' B' ' 55' ' ' ASP . 7.1 p -59.71 -44.05 92.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 C-N-CA 119.692 -0.803 . . . . 0.0 110.1 179.227 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.537 ' N ' ' CG1' ' B' ' 54' ' ' VAL . 89.2 m-20 -62.81 -43.55 98.51 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.523 179.605 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 51.6 mttp -62.06 -40.27 95.2 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.926 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 70.5 t -66.73 -46.5 85.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.071 -0.513 . . . . 0.0 112.325 -179.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -64.96 -34.36 78.24 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 -178.301 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 14.2 mtmt -58.99 -41.11 86.83 Favored 'General case' 0 CA--C 1.521 -0.148 0 C-N-CA 119.053 -1.059 . . . . 0.0 110.857 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -65.44 -39.62 92.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.241 0.543 . . . . 0.0 110.947 178.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 71.2 mt -67.72 -35.37 78.65 Favored 'General case' 0 CA--C 1.511 -0.526 0 CA-C-N 115.491 -0.777 . . . . 0.0 112.599 -178.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -72.19 72.34 0.9 Allowed 'General case' 0 N--CA 1.444 -0.74 0 C-N-CA 118.452 -1.299 . . . . 0.0 110.697 -178.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -62.75 -37.54 87.0 Favored 'General case' 0 CA--C 1.497 -1.091 0 N-CA-C 106.943 -1.503 . . . . 0.0 106.943 175.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.479 ' OD1' ' CG ' ' B' ' 66' ' ' ASP . 18.5 t-20 -57.87 -39.75 78.56 Favored 'General case' 0 N--CA 1.431 -1.407 0 CA-C-N 111.554 -2.566 . . . . 0.0 111.257 178.524 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 79.79 18.76 72.1 Favored Glycine 0 CA--C 1.53 1.028 0 C-N-CA 121.399 -0.429 . . . . 0.0 112.983 178.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.61 ' OD2' ' NZ ' ' B' ' 27' ' ' LYS . 54.7 p30 -89.51 2.36 54.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 117.486 0.643 . . . . 0.0 112.59 -179.638 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 87.2 -2.72 86.87 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.692 -0.963 . . . . 0.0 110.692 178.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.499 ' OE1' ' O ' ' B' ' 66' ' ' ASP . 58.5 mp0 -121.24 160.36 24.04 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-N 115.395 -0.403 . . . . 0.0 110.51 179.526 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 48.5 t -102.9 130.37 53.11 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 N-CA-C 106.831 -1.544 . . . . 0.0 106.831 176.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.531 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 48.3 t0 -100.38 160.9 13.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.146 0.498 . . . . 0.0 111.587 -177.57 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.531 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 1.0 OUTLIER -50.59 -44.14 56.82 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.17 -178.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -61.95 -40.34 95.21 Favored 'General case' 0 C--O 1.245 0.857 0 C-N-CA 119.835 -0.746 . . . . 0.0 110.797 178.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 79.5 mt-10 -64.42 -42.71 95.91 Favored 'General case' 0 C--O 1.244 0.783 0 CA-C-O 122.441 1.115 . . . . 0.0 109.664 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . 0.409 ' HH ' ' CD2' ' B' ' 36' ' ' LEU . 62.6 t80 -63.31 -40.86 98.5 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 114.372 -1.285 . . . . 0.0 110.143 178.672 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -60.3 -47.86 90.61 Favored 'Isoleucine or valine' 0 C--O 1.249 1.038 0 CA-C-N 113.736 -1.575 . . . . 0.0 109.874 -179.028 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 16.8 m -67.24 -34.95 72.49 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.561 0 C-N-CA 117.818 -1.553 . . . . 0.0 109.389 178.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 32.6 tp -56.87 -51.31 69.56 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 118.795 -1.162 . . . . 0.0 111.909 178.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.473 ' O ' ' OG1' ' B' ' 82' ' ' THR . 34.3 m -68.41 -36.22 73.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 118.69 -1.204 . . . . 0.0 111.665 -178.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.85 -49.23 60.17 Favored 'General case' 0 C--O 1.251 1.152 0 C-N-CA 119.078 -1.049 . . . . 0.0 111.982 -179.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.68 -39.57 94.36 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.412 ' N ' HD13 ' B' ' 81' ' ' LEU . 9.6 mp -65.08 -34.5 78.57 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 119.363 -0.935 . . . . 0.0 109.742 176.717 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.473 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 37.3 m -62.94 -49.88 73.03 Favored 'General case' 0 C--O 1.244 0.808 0 C-N-CA 119.731 -0.788 . . . . 0.0 111.192 179.708 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 13.1 p -63.97 -39.3 84.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 119.038 -1.065 . . . . 0.0 110.641 178.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.41 -30.47 71.28 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 121.145 0.498 . . . . 0.0 109.901 178.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 42.4 t -67.77 -54.4 19.55 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-N 115.487 -0.778 . . . . 0.0 109.417 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -55.99 -41.33 74.65 Favored 'General case' 0 C--O 1.239 0.517 0 C-N-CA 118.69 -1.204 . . . . 0.0 108.583 178.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . 0.651 ' O ' ' HB2' ' B' ' 91' ' ' GLU . 87.2 m-20 -59.25 -40.78 87.08 Favored 'General case' 0 C--O 1.201 -1.484 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.505 177.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.552 ' O ' ' O ' ' B' ' 91' ' ' GLU . 68.3 t80 -63.58 -40.62 97.43 Favored 'General case' 0 C--N 1.302 -1.49 0 C-N-CA 118.203 -1.399 . . . . 0.0 110.694 179.05 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -64.81 -60.24 3.31 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 120.068 -0.653 . . . . 0.0 112.29 -178.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 90' ' ' TRP . . . . . 0.595 ' CD2' ' OH ' ' A' ' 26' ' ' TYR . 19.8 t-105 -68.78 -44.28 73.97 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.641 0.734 . . . . 0.0 111.485 179.143 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . 0.651 ' HB2' ' O ' ' B' ' 87' ' ' ASN . 61.0 mm-40 . . . . . 0 C--N 1.319 -0.76 0 CA-C-N 114.49 -1.232 . . . . 0.0 111.547 -179.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 . . . . . 0 C--O 1.236 0.37 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.6 tt -61.97 -41.2 97.75 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 118.696 -1.202 . . . . 0.0 107.963 -179.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -65.32 -37.44 87.1 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.124 178.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.2 m -59.09 -41.0 87.04 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 179.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.74 -46.02 84.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.494 179.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 99.1 mtp -59.55 -41.42 90.06 Favored 'General case' 0 C--O 1.247 0.97 0 CA-C-O 121.78 0.8 . . . . 0.0 109.833 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.34 -35.45 81.03 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 115.327 -0.852 . . . . 0.0 110.132 177.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 53.1 m -64.29 -43.07 95.91 Favored 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 119.605 -0.838 . . . . 0.0 110.046 179.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 38.6 mt -61.85 -42.57 99.21 Favored 'General case' 0 C--O 1.239 0.515 0 C-N-CA 119.119 -1.033 . . . . 0.0 108.797 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.2 mt -61.68 -45.15 99.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 C-N-CA 119.732 -0.787 . . . . 0.0 111.176 178.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -62.05 -41.39 98.08 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 -179.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.8 m -73.65 -41.2 55.17 Favored 'Isoleucine or valine' 0 C--O 1.256 1.432 0 C-N-CA 119.128 -1.029 . . . . 0.0 110.938 -179.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -60.59 -47.43 86.23 Favored 'General case' 0 CA--C 1.513 -0.455 0 C-N-CA 119.388 -0.925 . . . . 0.0 109.767 177.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -63.52 -34.73 78.43 Favored 'General case' 0 CA--C 1.502 -0.894 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.839 177.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.501 ' O ' ' HB2' ' A' ' 21' ' ' LYS . . . -57.63 -51.85 67.84 Favored 'General case' 0 N--CA 1.436 -1.172 0 C-N-CA 118.746 -1.181 . . . . 0.0 109.333 -179.059 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.467 ' ND1' ' HG ' ' A' ' 36' ' ' LEU . 46.9 m80 -78.41 -52.89 7.89 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 114.772 1.397 . . . . 0.0 114.772 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.485 ' HG ' ' N ' ' A' ' 27' ' ' LYS . 24.7 t -58.04 -40.91 82.08 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 118.889 -1.124 . . . . 0.0 109.1 -179.153 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.13 -43.93 69.28 Favored Glycine 0 C--N 1.343 0.969 0 CA-C-N 115.316 -0.856 . . . . 0.0 112.12 178.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.501 ' HB2' ' O ' ' A' ' 17' ' ' ALA . 6.1 ttpm? -59.39 -42.27 91.33 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 120.112 -0.635 . . . . 0.0 111.814 -179.297 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.443 ' C ' ' OE2' ' A' ' 32' ' ' GLU . 76.9 mm-40 -129.94 151.4 50.54 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.2 -149.3 31.52 Favored Glycine 0 N--CA 1.464 0.558 0 CA-C-N 115.848 -0.615 . . . . 0.0 112.306 177.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -70.98 140.1 50.77 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 179.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.422 ' O ' ' OG ' ' A' ' 19' ' ' SER . 34.4 mtmt -61.73 -32.78 73.03 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 -177.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.604 ' OH ' ' CD2' ' B' ' 90' ' ' TRP . 93.7 m-85 -107.72 19.76 19.71 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 -177.153 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.485 ' N ' ' HG ' ' A' ' 19' ' ' SER . 34.0 tptt -139.92 143.95 36.88 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.459 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.5 tp -116.57 132.32 56.71 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 120.537 -0.465 . . . . 0.0 111.277 -175.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.9 t -99.71 158.59 15.67 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.566 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.9 ttpt -52.72 -45.75 67.08 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-O 121.267 0.556 . . . . 0.0 110.947 -177.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.585 ' CG ' ' N ' ' A' ' 32' ' ' GLU . 25.6 pttm -59.92 -48.02 83.39 Favored 'General case' 0 N--CA 1.437 -1.077 0 CA-C-N 115.564 -0.743 . . . . 0.0 109.675 -178.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.585 ' N ' ' CG ' ' A' ' 31' ' ' LYS . 95.2 mt-10 -63.31 -49.03 75.57 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 115.541 -0.754 . . . . 0.0 112.335 -178.489 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 pp -61.52 -34.65 75.89 Favored 'General case' 0 CA--C 1.501 -0.905 0 C-N-CA 118.577 -1.249 . . . . 0.0 109.963 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.561 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 0.3 OUTLIER -54.9 -37.38 66.25 Favored 'General case' 0 N--CA 1.436 -1.149 0 C-N-CA 118.058 -1.457 . . . . 0.0 108.004 178.046 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.46 ' O ' ' CG2' ' A' ' 39' ' ' THR . 97.4 mt-10 -74.88 -40.81 60.74 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 179.226 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.467 ' HG ' ' ND1' ' A' ' 18' ' ' HIS . 3.6 tt -66.07 -46.14 78.81 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 119.754 -0.778 . . . . 0.0 111.813 -176.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.571 ' CD2' ' N ' ' A' ' 37' ' ' LEU . 1.3 mm? -64.0 -43.23 96.28 Favored 'General case' 0 CA--C 1.519 -0.235 0 C-N-CA 118.578 -1.249 . . . . 0.0 111.13 -179.708 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.561 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 27.1 mt-30 -64.36 -39.43 93.86 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.584 -0.446 . . . . 0.0 112.141 179.651 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.46 ' CG2' ' O ' ' A' ' 35' ' ' GLU . 64.0 p -70.61 -38.62 74.0 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.039 -0.664 . . . . 0.0 111.432 -179.649 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -92.85 -53.03 4.33 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.535 0.568 . . . . 0.0 112.535 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.557 ' O ' ' O ' ' A' ' 37' ' ' LEU . 29.9 mt -103.83 142.37 34.5 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.292 0.568 . . . . 0.0 111.417 -178.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.518 ' OG ' ' N ' ' A' ' 43' ' ' GLY . 51.8 p -115.81 -66.54 1.07 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.616 178.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.518 ' N ' ' OG ' ' A' ' 42' ' ' SER . . . -58.48 -37.76 89.2 Favored Glycine 0 CA--C 1.531 1.036 0 CA-C-N 115.664 -0.698 . . . . 0.0 113.777 -178.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -60.34 -52.91 63.26 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 117.938 0.869 . . . . 0.0 112.248 -178.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -74.58 -39.11 62.44 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 120.398 -0.521 . . . . 0.0 111.406 178.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -60.41 -32.63 71.53 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.648 -0.705 . . . . 0.0 112.636 -178.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.66 -33.59 68.48 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -177.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -61.69 -36.55 81.21 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 119.824 -0.75 . . . . 0.0 109.495 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.533 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 68.8 mttm 61.29 36.95 17.49 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.144 -0.935 . . . . 0.0 112.396 179.063 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.533 ' OD1' ' O ' ' A' ' 49' ' ' LYS . 91.7 m-20 -142.22 148.43 38.14 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 120.995 -0.282 . . . . 0.0 110.374 178.165 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.6 m -74.07 -31.29 29.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.558 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -82.85 -2.77 55.64 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.91 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.71 -38.57 78.58 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.491 -0.484 . . . . 0.0 110.735 -178.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.535 ' CG1' ' N ' ' A' ' 55' ' ' ASP . 10.0 p -60.92 -43.89 96.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 C-N-CA 119.815 -0.754 . . . . 0.0 110.616 179.644 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.535 ' N ' ' CG1' ' A' ' 54' ' ' VAL . 56.6 t0 -63.13 -45.03 93.9 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 120.168 -0.613 . . . . 0.0 110.387 179.692 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -62.6 -39.47 93.85 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 120.361 -0.536 . . . . 0.0 111.143 179.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 74.5 t -64.89 -45.31 95.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 C-N-CA 120.561 -0.456 . . . . 0.0 111.683 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.538 ' CE ' ' O ' ' A' ' 67' ' ' GLY . 0.9 OUTLIER -65.58 -33.59 76.25 Favored 'General case' 0 C--O 1.236 0.394 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 -178.838 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.5 mtmt -59.18 -40.98 87.37 Favored 'General case' 0 CA--C 1.52 -0.176 0 C-N-CA 119.398 -0.921 . . . . 0.0 111.186 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -64.8 -39.16 93.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.203 0.525 . . . . 0.0 110.704 179.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 62.1 mt -67.82 -35.12 78.04 Favored 'General case' 0 CA--C 1.508 -0.645 0 CA-C-N 115.428 -0.805 . . . . 0.0 112.112 -179.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.574 ' OD2' ' N ' ' A' ' 66' ' ' ASP . 31.1 t0 -72.22 76.85 0.98 Allowed 'General case' 0 N--CA 1.443 -0.786 0 C-N-CA 118.605 -1.238 . . . . 0.0 111.231 -178.027 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -63.44 -37.07 85.88 Favored 'General case' 0 CA--C 1.5 -0.954 0 CA-C-O 123.105 1.431 . . . . 0.0 107.284 175.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.493 ' OD1' ' OD2' ' A' ' 66' ' ' ASP . 15.6 t-20 -57.33 -38.86 74.75 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-N 111.464 -2.607 . . . . 0.0 112.077 179.277 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.445 ' C ' ' OD2' ' A' ' 62' ' ' ASP . . . 86.9 13.06 67.41 Favored Glycine 0 CA--C 1.529 0.951 0 C-N-CA 121.042 -0.599 . . . . 0.0 112.51 178.545 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.574 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 54.1 p30 -89.38 6.35 41.03 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.119 0.415 . . . . 0.0 112.119 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.538 ' O ' ' CE ' ' A' ' 58' ' ' MET . . . 68.96 -1.93 9.47 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.432 -1.067 . . . . 0.0 110.432 179.616 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.494 ' O ' ' OD1' ' A' ' 66' ' ' ASP . 83.8 tt0 -117.45 144.76 44.69 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 47.9 t -96.48 133.33 38.21 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.44 0 C-N-CA 120.145 -0.622 . . . . 0.0 110.912 -176.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.551 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 51.1 t0 -100.2 159.49 15.07 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.333 0.587 . . . . 0.0 111.651 -178.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.551 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 1.0 OUTLIER -50.67 -43.97 57.6 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.618 -178.504 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -61.71 -40.31 94.58 Favored 'General case' 0 C--O 1.245 0.83 0 C-N-CA 119.673 -0.811 . . . . 0.0 110.899 179.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 -64.27 -42.82 96.26 Favored 'General case' 0 C--O 1.245 0.822 0 CA-C-O 122.497 1.141 . . . . 0.0 109.584 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -63.04 -41.11 99.42 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-N 114.268 -1.333 . . . . 0.0 110.413 178.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -60.23 -47.53 91.8 Favored 'Isoleucine or valine' 0 C--O 1.248 0.979 0 CA-C-N 113.706 -1.588 . . . . 0.0 109.784 -178.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 17.4 m -67.06 -34.92 72.88 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.597 0 C-N-CA 117.705 -1.598 . . . . 0.0 109.218 178.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 34.5 tp -56.5 -51.79 67.15 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 118.682 -1.207 . . . . 0.0 112.0 178.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.465 ' O ' ' OG1' ' A' ' 82' ' ' THR . 34.9 m -68.41 -36.2 73.89 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 C-N-CA 118.385 -1.326 . . . . 0.0 111.749 -178.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.57 -48.68 63.59 Favored 'General case' 0 C--O 1.249 1.039 0 C-N-CA 119.123 -1.031 . . . . 0.0 111.998 -179.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.99 -39.72 95.58 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 9.6 mp -65.0 -34.93 79.62 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 119.304 -0.958 . . . . 0.0 109.961 176.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.465 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 37.0 m -62.92 -50.32 71.33 Favored 'General case' 0 C--O 1.246 0.911 0 C-N-CA 119.655 -0.818 . . . . 0.0 111.484 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.5 p -63.98 -38.67 83.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 C-N-CA 119.129 -1.028 . . . . 0.0 110.682 178.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.66 -30.6 71.33 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 121.052 0.453 . . . . 0.0 109.897 178.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 24.8 t -68.34 -54.8 14.92 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.685 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -56.19 -41.08 74.98 Favored 'General case' 0 C--O 1.243 0.712 0 C-N-CA 118.748 -1.181 . . . . 0.0 108.666 178.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.667 ' O ' ' HB2' ' A' ' 91' ' ' GLU . 87.4 m-20 -59.46 -40.64 87.54 Favored 'General case' 0 C--O 1.199 -1.569 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.307 177.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.56 ' O ' ' O ' ' A' ' 91' ' ' GLU . 68.2 t80 -63.43 -40.2 96.55 Favored 'General case' 0 C--N 1.3 -1.557 0 C-N-CA 118.103 -1.439 . . . . 0.0 110.374 178.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -64.05 -61.28 2.36 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 120.023 -0.671 . . . . 0.0 112.354 -178.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.604 ' CE3' ' OH ' ' B' ' 26' ' ' TYR . 21.2 t-105 -69.23 -43.39 74.15 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 119.76 -0.776 . . . . 0.0 111.701 179.076 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.667 ' HB2' ' O ' ' A' ' 87' ' ' ASN . 93.8 mt-10 . . . . . 0 C--N 1.319 -0.758 0 CA-C-N 114.391 -1.277 . . . . 0.0 111.692 -179.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 . . . . . 0 C--O 1.237 0.397 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 5.6 tt -61.93 -41.24 97.73 Favored 'General case' 0 C--O 1.238 0.48 0 C-N-CA 118.722 -1.191 . . . . 0.0 107.971 -179.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -65.26 -37.48 87.35 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.096 178.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 45.7 m -59.07 -40.87 86.52 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 179.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.9 -46.02 83.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.391 179.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 99.1 mtp -59.65 -41.45 90.6 Favored 'General case' 0 C--O 1.249 1.056 0 CA-C-O 121.651 0.739 . . . . 0.0 109.75 179.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.13 -36.28 83.77 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.122 177.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 51.2 m -63.35 -43.36 97.93 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 119.712 -0.795 . . . . 0.0 110.254 179.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 44.7 mt -61.86 -42.49 99.11 Favored 'General case' 0 C--O 1.238 0.495 0 C-N-CA 119.185 -1.006 . . . . 0.0 108.773 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.413 HG21 HD13 ' B' ' 12' ' ' ILE . 97.2 mt -61.65 -45.18 99.21 Favored 'Isoleucine or valine' 0 C--O 1.232 0.163 0 CA-C-N 115.432 -0.803 . . . . 0.0 111.162 178.476 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -62.2 -41.36 98.28 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 -178.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 15.8 m -73.63 -41.21 55.31 Favored 'Isoleucine or valine' 0 C--O 1.256 1.399 0 C-N-CA 119.15 -1.02 . . . . 0.0 110.914 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -60.59 -47.37 86.51 Favored 'General case' 0 CA--C 1.513 -0.48 0 C-N-CA 119.416 -0.913 . . . . 0.0 109.77 177.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -63.59 -34.75 78.51 Favored 'General case' 0 CA--C 1.502 -0.9 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.8 177.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.49 ' O ' ' HB2' ' B' ' 21' ' ' LYS . . . -57.68 -51.73 68.34 Favored 'General case' 0 N--CA 1.435 -1.183 0 C-N-CA 118.746 -1.182 . . . . 0.0 109.356 -179.059 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.475 ' ND1' ' HG ' ' B' ' 36' ' ' LEU . 46.9 m80 -78.46 -52.93 7.82 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.497 ' HG ' ' N ' ' B' ' 27' ' ' LYS . 24.7 t -58.08 -40.98 82.46 Favored 'General case' 0 C--O 1.232 0.172 0 C-N-CA 118.989 -1.085 . . . . 0.0 109.083 -179.152 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.01 -44.06 69.42 Favored Glycine 0 C--N 1.342 0.909 0 O-C-N 124.093 0.871 . . . . 0.0 112.104 178.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . 0.49 ' HB2' ' O ' ' B' ' 17' ' ' ALA . 6.1 ttpm? -59.32 -42.32 91.14 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.145 -0.622 . . . . 0.0 111.858 -179.286 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.441 ' C ' ' OE2' ' B' ' 32' ' ' GLU . 76.9 mm-40 -129.91 151.45 50.45 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 179.785 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.15 -149.22 31.5 Favored Glycine 0 CA--C 1.524 0.608 0 CA-C-N 115.835 -0.621 . . . . 0.0 112.338 177.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -70.94 140.12 50.85 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 179.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.417 ' O ' ' OG ' ' B' ' 19' ' ' SER . 34.4 mtmt -61.8 -32.82 73.15 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 -177.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.604 ' OH ' ' CE3' ' A' ' 90' ' ' TRP . 93.8 m-85 -107.62 19.69 19.84 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 113.067 0.766 . . . . 0.0 113.067 -177.12 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.497 ' N ' ' HG ' ' B' ' 19' ' ' SER . 34.8 tptt -139.82 144.04 37.12 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 179.497 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 14.5 tp -116.66 132.33 56.72 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 120.519 -0.472 . . . . 0.0 111.276 -175.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 33.0 t -99.69 158.65 15.63 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.527 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 19.9 ttpt -52.78 -45.74 67.29 Favored 'General case' 0 C--O 1.24 0.572 0 CA-C-O 121.212 0.53 . . . . 0.0 110.992 -177.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.582 ' CG ' ' N ' ' B' ' 32' ' ' GLU . 25.6 pttm -59.9 -48.1 83.05 Favored 'General case' 0 N--CA 1.438 -1.049 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.593 -178.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.582 ' N ' ' CG ' ' B' ' 31' ' ' LYS . 95.1 mt-10 -63.19 -49.15 75.4 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.317 -178.459 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 pp -61.42 -34.63 75.71 Favored 'General case' 0 CA--C 1.501 -0.926 0 C-N-CA 118.537 -1.265 . . . . 0.0 110.03 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.564 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 0.3 OUTLIER -54.94 -37.4 66.37 Favored 'General case' 0 N--CA 1.437 -1.111 0 C-N-CA 118.048 -1.461 . . . . 0.0 107.995 178.042 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . 0.456 ' O ' ' CG2' ' B' ' 39' ' ' THR . 97.4 mt-10 -74.84 -40.88 60.79 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 179.218 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.475 ' HG ' ' ND1' ' B' ' 18' ' ' HIS . 3.6 tt -66.08 -46.09 78.95 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 119.723 -0.791 . . . . 0.0 111.833 -176.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.574 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 1.2 mm? -64.09 -43.19 96.13 Favored 'General case' 0 CA--C 1.52 -0.195 0 C-N-CA 118.623 -1.231 . . . . 0.0 111.056 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.564 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 27.1 mt-30 -64.44 -39.44 93.82 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.538 -0.465 . . . . 0.0 112.134 179.663 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.456 ' CG2' ' O ' ' B' ' 35' ' ' GLU . 64.4 p -70.51 -38.63 74.31 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 120.082 -0.647 . . . . 0.0 111.385 -179.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -92.84 -53.01 4.34 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.538 0.569 . . . . 0.0 112.538 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.556 ' O ' ' O ' ' B' ' 37' ' ' LEU . 29.9 mt -103.86 142.36 34.53 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 121.181 0.515 . . . . 0.0 111.443 -178.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.521 ' OG ' ' N ' ' B' ' 43' ' ' GLY . 51.8 p -115.89 -66.48 1.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.603 178.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . 0.521 ' N ' ' OG ' ' B' ' 42' ' ' SER . . . -58.54 -37.81 89.66 Favored Glycine 0 CA--C 1.531 1.04 0 CA-C-N 115.733 -0.667 . . . . 0.0 113.639 -178.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -60.35 -52.85 63.48 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 118.007 0.904 . . . . 0.0 112.285 -178.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -74.5 -39.14 62.6 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.12 0.486 . . . . 0.0 111.393 178.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -60.42 -32.65 71.56 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.646 -178.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.66 -33.57 68.45 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -177.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 94.0 mm-40 -61.73 -36.59 81.4 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 119.768 -0.773 . . . . 0.0 109.376 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.536 ' O ' ' OD1' ' B' ' 50' ' ' ASP . 68.8 mttm 61.27 36.98 17.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.2 -0.909 . . . . 0.0 112.414 179.092 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . 0.536 ' OD1' ' O ' ' B' ' 49' ' ' LYS . 92.0 m-20 -142.22 148.45 38.16 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 120.974 -0.291 . . . . 0.0 110.32 178.142 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 5.6 m -74.12 -31.18 28.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.564 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -82.85 -2.74 55.57 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.913 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.63 -38.62 78.47 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.466 -0.494 . . . . 0.0 110.786 -179.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.536 ' CG1' ' N ' ' B' ' 55' ' ' ASP . 9.9 p -60.88 -43.96 96.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 C-N-CA 119.779 -0.769 . . . . 0.0 110.622 179.62 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.536 ' N ' ' CG1' ' B' ' 54' ' ' VAL . 56.5 t0 -63.05 -45.12 93.73 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 120.264 -0.574 . . . . 0.0 110.401 179.647 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -62.53 -39.52 93.84 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 120.489 -0.484 . . . . 0.0 111.148 179.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 74.7 t -64.86 -45.3 95.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 C-N-CA 120.519 -0.473 . . . . 0.0 111.671 -179.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' MET . . . . . 0.535 ' CE ' ' O ' ' B' ' 67' ' ' GLY . 0.9 OUTLIER -65.55 -33.76 76.67 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 113.526 0.936 . . . . 0.0 113.526 -178.792 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 12.5 mtmt -59.2 -40.93 87.3 Favored 'General case' 0 CA--C 1.522 -0.117 0 C-N-CA 119.39 -0.924 . . . . 0.0 111.116 -179.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -64.85 -39.15 93.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.192 0.52 . . . . 0.0 110.667 179.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 61.8 mt -67.81 -35.18 78.16 Favored 'General case' 0 CA--C 1.508 -0.649 0 CA-C-N 115.386 -0.825 . . . . 0.0 112.093 -179.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.579 ' OD2' ' N ' ' B' ' 66' ' ' ASP . 31.4 t0 -72.18 76.7 0.97 Allowed 'General case' 0 N--CA 1.443 -0.813 0 C-N-CA 118.724 -1.191 . . . . 0.0 111.236 -177.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -63.28 -37.17 86.19 Favored 'General case' 0 CA--C 1.5 -0.946 0 CA-C-O 123.219 1.485 . . . . 0.0 107.335 175.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.501 ' OD1' ' OD2' ' B' ' 66' ' ' ASP . 15.6 t-20 -57.28 -38.8 74.48 Favored 'General case' 0 C--N 1.304 -1.379 0 CA-C-N 111.393 -2.639 . . . . 0.0 112.101 179.204 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.453 ' C ' ' OD2' ' B' ' 62' ' ' ASP . . . 86.8 13.1 67.61 Favored Glycine 0 CA--C 1.529 0.943 0 C-N-CA 121.045 -0.598 . . . . 0.0 112.512 178.556 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.579 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 54.2 p30 -89.38 6.35 41.01 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -179.757 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.535 ' O ' ' CE ' ' B' ' 58' ' ' MET . . . 69.0 -1.98 9.48 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.337 -1.105 . . . . 0.0 110.337 179.624 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.497 ' O ' ' OD1' ' B' ' 66' ' ' ASP . 83.8 tt0 -117.45 144.86 44.59 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 47.9 t -96.61 133.29 38.54 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.492 0 C-N-CA 120.162 -0.615 . . . . 0.0 110.866 -176.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.553 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 50.4 t0 -99.86 159.46 15.06 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.361 0.6 . . . . 0.0 111.617 -178.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.553 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 1.0 OUTLIER -50.76 -44.01 58.47 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.693 -178.746 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -61.6 -40.34 94.43 Favored 'General case' 0 C--O 1.247 0.949 0 C-N-CA 119.666 -0.813 . . . . 0.0 110.911 178.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 -64.29 -42.8 96.21 Favored 'General case' 0 C--O 1.244 0.78 0 CA-C-O 122.509 1.147 . . . . 0.0 109.532 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -63.05 -41.11 99.4 Favored 'General case' 0 C--O 1.24 0.598 0 CA-C-N 114.288 -1.324 . . . . 0.0 110.4 178.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -60.36 -47.45 92.38 Favored 'Isoleucine or valine' 0 C--O 1.248 1.01 0 CA-C-N 113.701 -1.59 . . . . 0.0 109.751 -178.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 17.2 m -67.04 -34.89 72.75 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.644 0 C-N-CA 117.713 -1.595 . . . . 0.0 109.31 178.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 33.9 tp -56.56 -51.71 67.53 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 118.732 -1.187 . . . . 0.0 112.055 178.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.459 ' O ' ' OG1' ' B' ' 82' ' ' THR . 34.8 m -68.37 -36.23 74.09 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 C-N-CA 118.465 -1.294 . . . . 0.0 111.799 -178.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.63 -48.67 63.47 Favored 'General case' 0 C--O 1.249 1.055 0 C-N-CA 119.056 -1.058 . . . . 0.0 112.004 -179.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.89 -39.79 95.56 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 9.5 mp -64.95 -35.08 80.01 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 119.217 -0.993 . . . . 0.0 109.927 176.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.459 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 36.5 m -62.72 -50.41 71.23 Favored 'General case' 0 C--O 1.247 0.947 0 C-N-CA 119.749 -0.78 . . . . 0.0 111.409 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 13.3 p -63.88 -38.82 83.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 119.112 -1.035 . . . . 0.0 110.672 178.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.59 -30.51 71.24 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-O 121.138 0.494 . . . . 0.0 109.995 178.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 25.0 t -68.41 -54.91 13.98 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.517 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -56.12 -41.13 74.81 Favored 'General case' 0 C--O 1.242 0.694 0 C-N-CA 118.792 -1.163 . . . . 0.0 108.688 179.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . 0.65 ' O ' ' HB2' ' B' ' 91' ' ' GLU . 87.3 m-20 -59.35 -40.7 87.25 Favored 'General case' 0 C--O 1.199 -1.559 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.427 177.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.558 ' O ' ' O ' ' B' ' 91' ' ' GLU . 68.6 t80 -63.48 -39.98 95.89 Favored 'General case' 0 C--N 1.301 -1.514 0 C-N-CA 118.1 -1.44 . . . . 0.0 110.452 178.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -64.26 -61.2 2.4 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 120.033 -0.667 . . . . 0.0 112.328 -178.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 90' ' ' TRP . . . . . 0.604 ' CD2' ' OH ' ' A' ' 26' ' ' TYR . 21.4 t-105 -69.26 -43.45 73.9 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 119.793 -0.763 . . . . 0.0 111.623 179.064 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . 0.65 ' HB2' ' O ' ' B' ' 87' ' ' ASN . 93.9 mt-10 . . . . . 0 C--N 1.317 -0.81 0 CA-C-N 114.391 -1.277 . . . . 0.0 111.713 -179.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 . . . . . 0 C--O 1.238 0.46 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.6 tt -59.65 -41.87 91.53 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 119.032 -1.067 . . . . 0.0 108.172 -178.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.413 ' OE2' ' CD2' ' B' ' 41' ' ' LEU . 71.5 mm-40 -65.84 -36.31 83.11 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.786 177.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 42.6 m -58.74 -41.29 86.12 Favored 'General case' 0 C--O 1.238 0.46 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 178.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.72 -46.08 83.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.724 179.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 99.4 mtp -59.45 -41.3 89.34 Favored 'General case' 0 C--O 1.247 0.957 0 CA-C-O 121.732 0.777 . . . . 0.0 109.608 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.21 -35.77 82.08 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.987 177.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 53.6 m -63.46 -43.12 98.27 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 119.494 -0.882 . . . . 0.0 109.92 179.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 36.9 mt -61.58 -42.49 98.92 Favored 'General case' 0 C--O 1.241 0.653 0 C-N-CA 119.16 -1.016 . . . . 0.0 108.703 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.412 HG21 HD13 ' A' ' 12' ' ' ILE . 97.9 mt -61.2 -45.25 98.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.035 178.458 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -62.13 -40.9 97.46 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -179.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.9 m -74.41 -41.44 49.81 Favored 'Isoleucine or valine' 0 C--O 1.256 1.441 0 C-N-CA 119.165 -1.014 . . . . 0.0 111.238 -179.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -60.37 -47.8 84.49 Favored 'General case' 0 CA--C 1.512 -0.494 0 C-N-CA 119.105 -1.038 . . . . 0.0 109.701 177.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -63.9 -34.66 78.46 Favored 'General case' 0 CA--C 1.5 -0.955 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.942 177.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.487 ' O ' ' HB2' ' A' ' 21' ' ' LYS . . . -57.99 -51.78 68.22 Favored 'General case' 0 N--CA 1.434 -1.234 0 C-N-CA 118.532 -1.267 . . . . 0.0 109.513 -178.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.466 ' CD2' ' HG ' ' A' ' 36' ' ' LEU . 25.4 m-70 -79.07 -53.37 7.07 Favored 'General case' 0 C--O 1.242 0.7 0 N-CA-C 114.658 1.355 . . . . 0.0 114.658 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.469 ' OG ' ' O ' ' A' ' 25' ' ' LYS . 25.7 t -57.67 -40.07 78.52 Favored 'General case' 0 CA--C 1.519 -0.222 0 C-N-CA 118.738 -1.185 . . . . 0.0 108.574 -179.478 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.13 -43.68 89.37 Favored Glycine 0 C--N 1.341 0.838 0 CA-C-N 115.197 -0.911 . . . . 0.0 111.544 178.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.487 ' HB2' ' O ' ' A' ' 17' ' ' ALA . 5.9 ttpm? -59.52 -42.19 91.67 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.219 -0.592 . . . . 0.0 112.377 -178.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -128.8 148.97 50.91 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 114.028 1.122 . . . . 0.0 114.028 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.17 -133.8 50.8 Favored Glycine 0 N--CA 1.465 0.609 0 CA-C-N 115.062 -0.972 . . . . 0.0 113.312 176.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -79.51 127.93 32.74 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 114.726 -0.737 . . . . 0.0 109.8 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.469 ' O ' ' OG ' ' A' ' 19' ' ' SER . 33.2 mtmt -57.79 -31.94 67.05 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.229 -0.896 . . . . 0.0 112.933 -177.139 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.602 ' OH ' ' CE3' ' B' ' 90' ' ' TRP . 98.8 m-85 -106.3 19.85 19.87 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -177.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.437 ' CG ' ' OE2' ' A' ' 68' ' ' GLU . 16.8 tptm -139.99 143.27 36.39 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.287 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.1 tp -116.31 130.46 56.79 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.905 -176.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 35.1 t -102.14 162.34 12.99 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 -179.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.7 ttpt -52.1 -46.31 65.2 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-O 121.161 0.505 . . . . 0.0 111.204 -178.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.583 ' CG ' ' N ' ' A' ' 32' ' ' GLU . 54.3 pttt -60.4 -48.6 81.03 Favored 'General case' 0 N--CA 1.437 -1.08 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.004 -178.673 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.583 ' N ' ' CG ' ' A' ' 31' ' ' LYS . 93.7 mt-10 -64.13 -52.13 60.61 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.3 -178.122 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.0 pp -60.38 -36.38 77.92 Favored 'General case' 0 CA--C 1.499 -1.008 0 C-N-CA 119.29 -0.964 . . . . 0.0 110.731 -179.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.8 tptm -55.79 -36.45 67.4 Favored 'General case' 0 N--CA 1.432 -1.351 0 C-N-CA 117.759 -1.576 . . . . 0.0 107.97 178.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -75.14 -40.61 59.57 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 179.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.466 ' HG ' ' CD2' ' A' ' 18' ' ' HIS . 3.0 tt -65.51 -46.04 81.21 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 120.322 -0.551 . . . . 0.0 111.458 -177.309 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.582 ' O ' ' N ' ' A' ' 41' ' ' LEU . 1.1 mm? -64.44 -41.94 96.27 Favored 'General case' 0 CA--C 1.519 -0.221 0 C-N-CA 118.858 -1.137 . . . . 0.0 110.84 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -64.01 -39.78 94.87 Favored 'General case' 0 C--O 1.231 0.129 0 C-N-CA 120.358 -0.537 . . . . 0.0 111.948 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 71.6 p -71.1 -38.5 72.36 Favored 'General case' 0 C--N 1.334 -0.101 0 C-N-CA 119.999 -0.68 . . . . 0.0 111.536 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -91.09 -50.77 5.67 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.582 ' N ' ' O ' ' A' ' 37' ' ' LEU . 29.5 mt -107.42 143.12 36.21 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 121.245 0.545 . . . . 0.0 111.57 -179.152 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.1 -66.51 1.08 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.229 178.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.29 -37.87 92.5 Favored Glycine 0 CA--C 1.533 1.186 0 CA-C-N 115.663 -0.699 . . . . 0.0 113.834 -179.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -60.05 -52.62 64.57 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 118.071 0.935 . . . . 0.0 112.203 -177.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -74.23 -40.89 62.11 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 120.281 -0.567 . . . . 0.0 111.151 178.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -61.28 -33.58 73.8 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.611 -0.722 . . . . 0.0 112.071 -179.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.63 -32.85 69.43 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -177.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.415 ' C ' ' H ' ' A' ' 50' ' ' ASP . 94.7 mm-40 -60.72 -33.77 73.4 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.138 -0.625 . . . . 0.0 109.864 -179.721 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.5 tttp 71.09 -35.8 0.34 Allowed 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.488 -0.778 . . . . 0.0 112.23 179.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.415 ' H ' ' C ' ' A' ' 48' ' ' GLN . 88.2 m-20 -70.15 142.59 52.49 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.305 -0.558 . . . . 0.0 111.231 -179.59 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.8 m -72.72 -30.05 32.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.801 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -86.63 5.3 36.54 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.254 0.55 . . . . 0.0 110.081 179.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.62 -38.77 72.54 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.852 -178.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.511 ' CG1' ' N ' ' A' ' 55' ' ' ASP . 7.0 p -60.3 -43.74 94.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.671 0 C-N-CA 119.788 -0.765 . . . . 0.0 110.168 179.223 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.511 ' N ' ' CG1' ' A' ' 54' ' ' VAL . 91.7 m-20 -61.49 -43.24 99.22 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.059 179.365 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -62.67 -37.52 86.76 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.112 -0.635 . . . . 0.0 109.816 178.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 68.0 t -64.21 -45.72 95.49 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 CA-C-N 115.699 -0.682 . . . . 0.0 112.733 -178.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.505 ' CE ' ' O ' ' A' ' 67' ' ' GLY . 2.2 ptp -66.66 -33.62 76.06 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 118.818 -1.153 . . . . 0.0 113.113 -178.722 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 35.8 mmtt -59.25 -42.02 90.17 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 119.363 -0.935 . . . . 0.0 112.069 -178.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -66.2 -41.44 90.19 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.095 -0.642 . . . . 0.0 110.896 179.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.436 ' O ' ' CD ' ' A' ' 73' ' ' GLU . 78.5 mt -68.81 -32.11 71.58 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.82 -1.082 . . . . 0.0 112.741 -179.377 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.611 ' OD2' ' N ' ' A' ' 66' ' ' ASP . 50.7 t0 -74.3 94.13 2.47 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 -175.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 -65.68 -46.85 77.54 Favored 'General case' 0 CA--C 1.509 -0.632 0 CA-C-O 122.613 1.197 . . . . 0.0 110.622 175.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 31.5 m120 -59.57 -35.27 73.94 Favored 'General case' 0 C--N 1.304 -1.41 0 CA-C-N 112.493 -2.14 . . . . 0.0 112.183 -178.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.451 ' C ' ' OD2' ' A' ' 62' ' ' ASP . . . 86.1 14.91 65.85 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 108.988 -1.645 . . . . 0.0 108.988 -177.729 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.611 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 27.0 p-10 -87.6 6.46 34.42 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 115.085 -0.558 . . . . 0.0 112.279 -179.017 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.505 ' O ' ' CE ' ' A' ' 58' ' ' MET . . . 64.76 -2.53 2.55 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.198 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.488 ' H ' ' C ' ' A' ' 66' ' ' ASP . 82.5 tt0 -112.8 144.22 42.72 Favored 'General case' 0 C--O 1.241 0.62 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 45.7 t -102.35 132.92 47.39 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.656 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.279 -176.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.492 ' C ' ' OD1' ' A' ' 70' ' ' ASP . 39.6 p30 -100.16 171.6 7.7 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.215 0.531 . . . . 0.0 110.352 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -54.51 -45.45 73.3 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.765 -178.477 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -61.87 -41.15 97.51 Favored 'General case' 0 C--O 1.243 0.76 0 C-N-CA 120.054 -0.659 . . . . 0.0 112.163 -179.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.436 ' CD ' ' O ' ' A' ' 61' ' ' LEU . 96.7 mt-10 -64.82 -41.61 95.63 Favored 'General case' 0 C--O 1.243 0.712 0 CA-C-O 122.139 0.971 . . . . 0.0 109.877 179.175 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 68.8 t80 -63.37 -41.36 98.8 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-N 114.933 -1.031 . . . . 0.0 110.241 178.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -60.16 -47.64 91.24 Favored 'Isoleucine or valine' 0 C--O 1.248 1.003 0 CA-C-N 113.86 -1.518 . . . . 0.0 110.064 -179.013 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 13.5 m -67.59 -34.54 68.83 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.495 0 C-N-CA 117.804 -1.559 . . . . 0.0 109.279 178.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 32.7 tp -56.64 -50.77 71.08 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 118.676 -1.21 . . . . 0.0 111.666 178.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.429 ' O ' ' OG1' ' A' ' 82' ' ' THR . 35.2 m -68.44 -36.66 75.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 118.403 -1.319 . . . . 0.0 111.7 -179.019 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.41 -48.2 65.27 Favored 'General case' 0 C--O 1.252 1.218 0 C-N-CA 119.146 -1.022 . . . . 0.0 112.007 -179.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.403 ' O ' HG11 ' A' ' 83' ' ' VAL . . . -62.78 -39.84 95.48 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.09 179.544 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 9.3 mp -65.3 -35.22 80.33 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 119.302 -0.959 . . . . 0.0 109.965 176.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.429 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 35.8 m -62.29 -50.63 70.92 Favored 'General case' 0 C--O 1.249 1.072 0 C-N-CA 119.692 -0.803 . . . . 0.0 111.393 179.673 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.403 HG11 ' O ' ' A' ' 80' ' ' ALA . 13.8 p -63.59 -38.25 81.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 119.175 -1.01 . . . . 0.0 110.548 178.699 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.45 -31.44 72.53 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.236 178.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 4.8 t -69.87 -55.09 10.67 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.881 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 53.8 t-20 -56.8 -40.93 76.83 Favored 'General case' 0 C--O 1.243 0.713 0 C-N-CA 118.029 -1.468 . . . . 0.0 108.969 179.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.599 ' ND2' ' OE1' ' A' ' 91' ' ' GLU . 8.4 t-20 -60.49 -37.73 82.0 Favored 'General case' 0 C--O 1.201 -1.493 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 178.25 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.519 ' O ' ' O ' ' A' ' 91' ' ' GLU . 67.7 t80 -60.33 -41.59 93.86 Favored 'General case' 0 C--N 1.313 -0.997 0 C-N-CA 118.712 -1.195 . . . . 0.0 109.432 179.53 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -65.88 -59.7 3.6 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 112.943 0.72 . . . . 0.0 112.943 -179.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.597 ' CE3' ' OH ' ' B' ' 26' ' ' TYR . 20.4 t-105 -69.35 -46.26 67.44 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-O 121.885 0.85 . . . . 0.0 111.63 179.599 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.599 ' OE1' ' ND2' ' A' ' 87' ' ' ASN . 36.4 mt-10 . . . . . 0 C--N 1.317 -0.834 0 CA-C-N 114.129 -1.396 . . . . 0.0 111.033 179.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 . . . . . 0 C--O 1.239 0.514 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 5.6 tt -59.58 -41.99 91.47 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 119.054 -1.058 . . . . 0.0 108.147 -178.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . 0.411 ' OE2' ' CD2' ' A' ' 41' ' ' LEU . 71.5 mm-40 -65.76 -36.38 83.39 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.786 177.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 44.9 m -58.75 -41.04 85.57 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 178.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.03 -45.96 83.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.64 179.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 99.3 mtp -59.53 -41.29 89.67 Favored 'General case' 0 C--O 1.247 0.955 0 CA-C-O 121.664 0.745 . . . . 0.0 109.639 179.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.2 -36.46 84.25 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.918 177.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 52.5 m -62.69 -43.36 99.02 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 119.487 -0.885 . . . . 0.0 110.088 179.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 42.7 mt -61.62 -42.39 98.81 Favored 'General case' 0 C--O 1.241 0.654 0 C-N-CA 119.172 -1.011 . . . . 0.0 108.64 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 98.0 mt -61.15 -45.26 98.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.026 178.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -62.16 -40.87 97.43 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 -178.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 15.8 m -74.37 -41.43 50.12 Favored 'Isoleucine or valine' 0 C--O 1.255 1.368 0 C-N-CA 119.189 -1.004 . . . . 0.0 111.27 -179.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -60.39 -47.84 84.31 Favored 'General case' 0 CA--C 1.511 -0.535 0 C-N-CA 119.066 -1.054 . . . . 0.0 109.682 177.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -63.75 -34.72 78.51 Favored 'General case' 0 CA--C 1.501 -0.931 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.972 177.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.492 ' O ' ' HB2' ' B' ' 21' ' ' LYS . . . -58.03 -51.69 68.63 Favored 'General case' 0 N--CA 1.434 -1.262 0 C-N-CA 118.42 -1.312 . . . . 0.0 109.577 -178.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.478 ' CD2' ' HG ' ' B' ' 36' ' ' LEU . 25.2 m-70 -79.02 -53.42 7.04 Favored 'General case' 0 C--O 1.241 0.623 0 N-CA-C 114.606 1.336 . . . . 0.0 114.606 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.462 ' OG ' ' O ' ' B' ' 25' ' ' LYS . 26.0 t -57.82 -39.99 78.91 Favored 'General case' 0 C--O 1.232 0.182 0 C-N-CA 118.713 -1.195 . . . . 0.0 108.535 -179.395 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.25 -43.55 88.61 Favored Glycine 0 C--N 1.341 0.807 0 CA-C-N 115.23 -0.895 . . . . 0.0 111.557 178.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . 0.492 ' HB2' ' O ' ' B' ' 17' ' ' ALA . 5.9 ttpm? -59.5 -42.25 91.73 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.232 -0.587 . . . . 0.0 112.352 -179.01 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -128.76 148.94 50.89 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 113.968 1.099 . . . . 0.0 113.968 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.23 -133.72 50.97 Favored Glycine 0 CA--C 1.524 0.635 0 CA-C-N 115.02 -0.991 . . . . 0.0 113.238 176.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -79.56 127.97 32.8 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 114.728 -0.736 . . . . 0.0 109.844 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.462 ' O ' ' OG ' ' B' ' 19' ' ' SER . 33.2 mtmt -57.9 -31.87 67.18 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.252 -0.886 . . . . 0.0 112.947 -177.051 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.597 ' OH ' ' CE3' ' A' ' 90' ' ' TRP . 98.9 m-85 -106.18 19.73 20.07 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 113.178 0.807 . . . . 0.0 113.178 -178.002 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.432 ' CG ' ' OE2' ' B' ' 68' ' ' GLU . 16.8 tptm -140.07 143.41 36.3 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 179.276 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 13.1 tp -116.3 130.48 56.8 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.984 -176.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 35.2 t -102.21 162.3 13.02 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 122.839 0.456 . . . . 0.0 111.112 -179.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 23.6 ttpt -52.02 -46.33 64.94 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-O 121.177 0.513 . . . . 0.0 111.185 -178.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.582 ' CG ' ' N ' ' B' ' 32' ' ' GLU . 54.6 pttt -60.49 -48.58 81.13 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.891 -178.586 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.582 ' N ' ' CG ' ' B' ' 31' ' ' LYS . 93.6 mt-10 -64.12 -52.13 60.64 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.261 -178.092 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 2.0 pp -60.41 -36.37 77.98 Favored 'General case' 0 CA--C 1.499 -1.004 0 C-N-CA 119.236 -0.986 . . . . 0.0 110.759 -179.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 10.7 tptm -55.83 -36.32 67.36 Favored 'General case' 0 N--CA 1.432 -1.338 0 C-N-CA 117.723 -1.591 . . . . 0.0 107.984 178.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -75.25 -40.46 58.93 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 112.754 0.649 . . . . 0.0 112.754 179.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.478 ' HG ' ' CD2' ' B' ' 18' ' ' HIS . 3.0 tt -65.54 -46.06 81.03 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 120.328 -0.549 . . . . 0.0 111.495 -177.364 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.581 ' O ' ' N ' ' B' ' 41' ' ' LEU . 1.2 mm? -64.44 -41.94 96.28 Favored 'General case' 0 CA--C 1.52 -0.184 0 C-N-CA 118.881 -1.127 . . . . 0.0 110.762 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -64.05 -39.75 94.78 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 120.381 -0.528 . . . . 0.0 111.972 179.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 70.1 p -71.09 -38.49 72.41 Favored 'General case' 0 N--CA 1.461 0.099 0 C-N-CA 119.979 -0.688 . . . . 0.0 111.585 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -91.14 -50.75 5.67 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.689 -0.404 . . . . 0.0 112.008 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.581 ' N ' ' O ' ' B' ' 37' ' ' LEU . 29.3 mt -107.31 143.14 36.0 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.321 0.581 . . . . 0.0 111.617 -179.175 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.15 -66.47 1.08 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.193 178.805 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.34 -37.86 92.54 Favored Glycine 0 CA--C 1.533 1.179 0 CA-C-N 115.721 -0.672 . . . . 0.0 113.828 -179.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -60.01 -52.63 64.57 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 118.086 0.943 . . . . 0.0 112.199 -178.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -74.2 -40.99 62.11 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 120.307 -0.557 . . . . 0.0 111.088 178.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -61.26 -33.6 73.79 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.634 -0.712 . . . . 0.0 112.056 -179.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.57 -32.86 69.32 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -177.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.423 ' C ' ' H ' ' B' ' 50' ' ' ASP . 94.8 mm-40 -60.76 -33.79 73.48 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.143 -0.623 . . . . 0.0 109.85 -179.682 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 37.6 tttp 71.14 -35.73 0.34 Allowed 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.482 -0.781 . . . . 0.0 112.191 179.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . 0.423 ' H ' ' C ' ' B' ' 48' ' ' GLN . 88.4 m-20 -70.28 142.64 52.25 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.218 -0.593 . . . . 0.0 111.177 -179.545 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 4.7 m -72.63 -30.13 32.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.861 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -86.6 5.3 36.39 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.23 0.538 . . . . 0.0 110.084 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.59 -38.84 72.56 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.835 -178.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.508 ' CG1' ' N ' ' B' ' 55' ' ' ASP . 7.2 p -60.21 -43.78 94.04 Favored 'Isoleucine or valine' 0 C--O 1.242 0.704 0 C-N-CA 119.783 -0.767 . . . . 0.0 110.173 179.211 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.508 ' N ' ' CG1' ' B' ' 54' ' ' VAL . 91.7 m-20 -61.49 -43.27 99.16 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.043 179.379 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -62.62 -37.57 86.79 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.101 -0.64 . . . . 0.0 109.757 178.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 68.2 t -64.16 -45.77 95.44 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 CA-C-N 115.738 -0.665 . . . . 0.0 112.745 -178.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' MET . . . . . 0.496 ' CE ' ' O ' ' B' ' 67' ' ' GLY . 2.2 ptp -66.57 -33.68 76.2 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 118.821 -1.152 . . . . 0.0 113.162 -178.751 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 35.7 mmtt -59.28 -42.01 90.25 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 119.357 -0.937 . . . . 0.0 112.047 -178.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -66.19 -41.42 90.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.486 0.66 . . . . 0.0 110.887 179.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.44 ' O ' ' CD ' ' B' ' 73' ' ' GLU . 78.4 mt -68.8 -32.2 71.75 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.869 -1.06 . . . . 0.0 112.701 -179.328 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.604 ' OD2' ' N ' ' B' ' 66' ' ' ASP . 50.8 t0 -74.24 94.11 2.44 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 113.087 0.773 . . . . 0.0 113.087 -175.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 78.7 tt0 -65.76 -46.9 77.07 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-O 122.645 1.212 . . . . 0.0 110.505 175.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 31.5 m120 -59.38 -35.33 73.71 Favored 'General case' 0 C--N 1.305 -1.361 0 CA-C-N 112.513 -2.13 . . . . 0.0 112.298 -178.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.451 ' C ' ' OD2' ' B' ' 62' ' ' ASP . . . 86.08 14.9 65.91 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 108.975 -1.65 . . . . 0.0 108.975 -177.683 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.604 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 27.0 p-10 -87.61 6.45 34.5 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 115.151 -0.524 . . . . 0.0 112.358 -179.088 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.498 ' N ' ' OD2' ' B' ' 62' ' ' ASP . . . 64.82 -2.51 2.6 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.091 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.496 ' H ' ' C ' ' B' ' 66' ' ' ASP . 82.5 tt0 -112.79 144.28 42.6 Favored 'General case' 0 C--O 1.24 0.566 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 46.1 t -102.4 133.0 47.29 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.717 0 C-N-CA 120.622 -0.431 . . . . 0.0 111.22 -176.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.493 ' C ' ' OD1' ' B' ' 70' ' ' ASP . 39.5 p30 -100.16 171.61 7.7 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 121.251 0.548 . . . . 0.0 110.353 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -54.49 -45.49 73.26 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.7 -178.494 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -61.86 -41.2 97.55 Favored 'General case' 0 C--O 1.244 0.8 0 C-N-CA 120.084 -0.646 . . . . 0.0 112.099 -179.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.44 ' CD ' ' O ' ' B' ' 61' ' ' LEU . 96.7 mt-10 -64.88 -41.55 95.54 Favored 'General case' 0 C--O 1.242 0.697 0 CA-C-O 122.092 0.949 . . . . 0.0 109.864 179.226 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -63.45 -41.27 98.65 Favored 'General case' 0 C--O 1.242 0.694 0 CA-C-O 122.219 1.009 . . . . 0.0 110.265 178.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -60.18 -47.64 91.29 Favored 'Isoleucine or valine' 0 C--O 1.249 1.037 0 CA-C-N 113.858 -1.519 . . . . 0.0 110.047 -179.055 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 13.4 m -67.75 -34.42 67.59 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 C-N-CA 117.835 -1.546 . . . . 0.0 109.29 178.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 32.5 tp -56.68 -50.76 71.18 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 118.62 -1.232 . . . . 0.0 111.638 178.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.426 ' O ' ' OG1' ' B' ' 82' ' ' THR . 35.2 m -68.5 -36.54 75.17 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 C-N-CA 118.359 -1.336 . . . . 0.0 111.746 -179.009 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.49 -48.23 64.99 Favored 'General case' 0 C--O 1.251 1.169 0 C-N-CA 119.092 -1.043 . . . . 0.0 111.914 -179.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . 0.4 ' O ' HG11 ' B' ' 83' ' ' VAL . . . -62.81 -39.81 95.42 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.597 -0.728 . . . . 0.0 109.042 179.591 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 9.2 mp -65.24 -35.3 80.61 Favored 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 119.272 -0.971 . . . . 0.0 109.963 176.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 35.6 m -62.31 -50.57 71.13 Favored 'General case' 0 C--O 1.249 1.045 0 C-N-CA 119.634 -0.826 . . . . 0.0 111.343 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . 0.4 HG11 ' O ' ' B' ' 80' ' ' ALA . 13.6 p -63.58 -38.23 81.69 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 C-N-CA 119.188 -1.005 . . . . 0.0 110.536 178.646 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.46 -31.34 72.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.273 178.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 4.8 t -69.97 -55.05 10.62 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.87 -179.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 53.9 t-20 -56.84 -40.82 76.76 Favored 'General case' 0 C--O 1.241 0.646 0 C-N-CA 117.923 -1.511 . . . . 0.0 109.007 179.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . 0.605 ' ND2' ' OE1' ' B' ' 91' ' ' GLU . 8.4 t-20 -60.54 -37.73 82.17 Favored 'General case' 0 C--O 1.201 -1.464 0 N-CA-C 107.75 -1.204 . . . . 0.0 107.75 178.251 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.514 ' O ' ' O ' ' B' ' 91' ' ' GLU . 67.3 t80 -60.17 -41.7 93.41 Favored 'General case' 0 C--N 1.313 -0.985 0 C-N-CA 118.783 -1.167 . . . . 0.0 109.49 179.441 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -65.87 -59.66 3.64 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 112.897 0.703 . . . . 0.0 112.897 -178.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 90' ' ' TRP . . . . . 0.602 ' CE3' ' OH ' ' A' ' 26' ' ' TYR . 20.3 t-105 -69.47 -46.19 67.26 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-O 121.774 0.797 . . . . 0.0 111.601 179.651 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . 0.605 ' OE1' ' ND2' ' B' ' 87' ' ' ASN . 36.4 mt-10 . . . . . 0 C--N 1.317 -0.842 0 CA-C-N 114.151 -1.386 . . . . 0.0 111.184 179.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 . . . . . 0 C--O 1.233 0.207 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.3 tt -63.65 -41.98 98.15 Favored 'General case' 0 C--O 1.24 0.556 0 C-N-CA 119.299 -0.96 . . . . 0.0 108.681 -179.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.445 ' C ' ' OE1' ' A' ' 5' ' ' GLU . 6.1 tm-20 -63.87 -40.0 95.52 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 114.698 -1.137 . . . . 0.0 109.267 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 44.5 m -60.27 -40.44 90.38 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.305 178.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.43 -44.13 95.43 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.04 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 98.8 mtp -59.34 -40.69 87.2 Favored 'General case' 0 C--O 1.248 1.007 0 CA-C-O 121.732 0.777 . . . . 0.0 109.288 178.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -64.82 -35.91 82.63 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.048 177.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 50.9 m -64.22 -43.21 95.66 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 119.779 -0.769 . . . . 0.0 110.167 179.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 38.0 mt -62.04 -42.65 99.4 Favored 'General case' 0 C--O 1.243 0.714 0 C-N-CA 119.243 -0.983 . . . . 0.0 109.058 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.404 HG21 HD12 ' A' ' 12' ' ' ILE . 97.8 mt -61.99 -45.93 97.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.428 178.596 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -61.98 -41.18 97.74 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 -178.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.8 m -73.31 -41.33 57.61 Favored 'Isoleucine or valine' 0 C--O 1.255 1.355 0 C-N-CA 119.2 -1.0 . . . . 0.0 111.398 -179.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -59.94 -47.5 85.52 Favored 'General case' 0 CA--C 1.512 -0.487 0 C-N-CA 118.962 -1.095 . . . . 0.0 109.768 177.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -63.31 -35.46 80.43 Favored 'General case' 0 CA--C 1.503 -0.857 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.86 178.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.495 ' O ' ' HB2' ' A' ' 21' ' ' LYS . . . -57.2 -51.57 68.8 Favored 'General case' 0 N--CA 1.436 -1.142 0 C-N-CA 118.962 -1.095 . . . . 0.0 109.602 -178.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.462 ' ND1' ' HG ' ' A' ' 36' ' ' LEU . 46.2 m80 -79.22 -52.3 8.33 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 114.754 1.39 . . . . 0.0 114.754 -179.759 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' A' ' 24' ' ' ASP . 23.1 t -58.34 -40.95 83.51 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 118.864 -1.135 . . . . 0.0 109.184 -179.069 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -71.81 -43.95 49.07 Favored Glycine 0 C--N 1.344 0.979 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.433 178.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.495 ' HB2' ' O ' ' A' ' 17' ' ' ALA . 6.8 ttpm? -58.78 -44.26 90.64 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 120.046 -0.661 . . . . 0.0 112.069 -179.68 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.54 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 84.7 tt0 -135.86 140.47 44.18 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.369 -0.532 . . . . 0.0 111.128 -179.571 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.88 -162.92 52.13 Favored Glycine 0 CA--C 1.521 0.416 0 C-N-CA 120.799 -0.715 . . . . 0.0 111.341 178.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.4 ' O ' ' OG ' ' A' ' 19' ' ' SER . 88.3 m-20 -67.4 141.79 56.93 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 178.643 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.2 mtmt -60.56 -32.22 71.29 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.075 -0.511 . . . . 0.0 112.201 -177.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.6 ' OH ' ' CD2' ' B' ' 90' ' ' TRP . 96.9 m-85 -107.23 19.13 20.78 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 -177.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.3 tptt -137.84 138.15 38.85 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 118.956 -1.098 . . . . 0.0 108.988 178.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.0 tp -113.66 126.28 55.08 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 -178.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 87.3 p -98.24 167.63 10.74 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.74 -0.209 . . . . 0.0 110.975 -179.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.8 ttpt -53.27 -49.28 67.25 Favored 'General case' 0 C--O 1.241 0.645 0 CA-C-O 121.121 0.486 . . . . 0.0 112.263 -178.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.545 ' HG3' ' N ' ' A' ' 32' ' ' GLU . 23.9 pttm -61.48 -48.01 83.06 Favored 'General case' 0 N--CA 1.441 -0.896 0 C-N-CA 120.053 -0.659 . . . . 0.0 110.372 -178.794 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.545 ' N ' ' HG3' ' A' ' 31' ' ' LYS . 94.4 mt-10 -62.69 -49.8 73.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.808 -0.633 . . . . 0.0 112.06 -178.644 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 pp -61.11 -36.68 80.37 Favored 'General case' 0 CA--C 1.499 -1.001 0 C-N-CA 118.673 -1.211 . . . . 0.0 110.095 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.746 ' NZ ' HE21 ' A' ' 38' ' ' GLN . 15.6 tptp -56.0 -36.41 67.89 Favored 'General case' 0 N--CA 1.434 -1.226 0 C-N-CA 118.058 -1.457 . . . . 0.0 108.073 178.389 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.462 ' O ' ' CG2' ' A' ' 39' ' ' THR . 97.4 mt-10 -73.84 -40.04 63.59 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 112.697 0.628 . . . . 0.0 112.697 179.205 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.462 ' HG ' ' ND1' ' A' ' 18' ' ' HIS . 3.8 tt -65.9 -45.36 82.24 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 119.849 -0.74 . . . . 0.0 111.325 -177.268 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.569 ' O ' ' O ' ' A' ' 41' ' ' LEU . 1.2 mm? -64.48 -43.13 95.15 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 118.76 -1.176 . . . . 0.0 110.937 179.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.746 HE21 ' NZ ' ' A' ' 34' ' ' LYS . 97.8 mt-30 -63.48 -39.32 94.15 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.349 -0.54 . . . . 0.0 111.592 179.461 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.462 ' CG2' ' O ' ' A' ' 35' ' ' GLU . 66.3 p -71.84 -33.08 68.16 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.726 -0.39 . . . . 0.0 111.558 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -101.65 -60.01 1.6 Allowed 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 -178.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.569 ' O ' ' O ' ' A' ' 37' ' ' LEU . 53.2 mt -99.56 140.73 33.33 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.258 0.552 . . . . 0.0 111.71 -178.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -110.72 -60.95 1.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.708 179.52 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.8 -39.52 93.88 Favored Glycine 0 CA--C 1.532 1.107 0 CA-C-N 115.823 -0.626 . . . . 0.0 114.397 -177.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -61.54 -52.27 65.16 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 118.124 0.962 . . . . 0.0 112.534 -177.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -73.04 -38.92 66.35 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.292 -0.563 . . . . 0.0 111.55 178.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 57.0 t0 -60.46 -30.73 69.85 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.554 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.55 -29.74 62.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 112.098 -177.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 90.4 mm-40 -91.41 117.89 30.07 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 119.503 -0.879 . . . . 0.0 110.038 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -63.49 -36.28 83.25 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 -179.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -69.89 142.31 53.02 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -177.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.3 m -73.93 -26.93 21.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.223 178.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -79.75 1.51 26.39 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.18 -0.918 . . . . 0.0 109.612 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.95 -36.72 70.6 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.832 -179.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.529 ' CG1' ' N ' ' A' ' 55' ' ' ASP . 7.7 p -59.75 -44.07 93.02 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 C-N-CA 119.965 -0.694 . . . . 0.0 109.877 178.672 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.529 ' N ' ' CG1' ' A' ' 54' ' ' VAL . 90.6 m-20 -61.45 -42.3 98.55 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.443 179.133 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 69.2 mttm -60.81 -38.73 86.4 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.003 179.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 78.2 t -65.11 -44.69 95.56 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.341 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.537 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -69.99 -32.92 71.36 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 114.457 1.28 . . . . 0.0 114.457 -178.642 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 17.0 mtmm -58.41 -41.17 84.36 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 119.714 -0.794 . . . . 0.0 113.064 -177.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -72.35 -35.09 68.45 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 119.657 -0.817 . . . . 0.0 110.501 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.468 ' O ' ' CD ' ' A' ' 73' ' ' GLU . 93.0 mt -67.42 -35.08 78.54 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-N 115.78 -0.645 . . . . 0.0 112.567 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.502 ' OD1' ' OD1' ' A' ' 66' ' ' ASP . 47.3 t0 -73.19 90.72 1.6 Allowed 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 118.406 -1.317 . . . . 0.0 111.368 -177.516 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -65.31 -47.52 76.27 Favored 'General case' 0 CA--C 1.509 -0.598 0 CA-C-O 122.676 1.226 . . . . 0.0 111.476 176.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 31.8 m120 -59.61 -34.74 73.15 Favored 'General case' 0 C--N 1.3 -1.564 0 CA-C-N 112.53 -2.123 . . . . 0.0 112.999 -178.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 89.19 3.88 75.19 Favored Glycine 0 CA--C 1.529 0.922 0 N-CA-C 107.994 -2.042 . . . . 0.0 107.994 -176.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.638 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 50.1 p30 -61.79 -31.98 72.23 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 113.858 -1.171 . . . . 0.0 112.967 -179.687 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.638 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 99.35 -4.52 58.48 Favored Glycine 0 CA--C 1.521 0.438 0 N-CA-C 109.026 -1.63 . . . . 0.0 109.026 -178.175 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.515 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 55.8 mp0 -112.85 154.84 25.67 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-N 114.493 -0.853 . . . . 0.0 110.908 178.096 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 46.8 t -106.83 131.2 57.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 177.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.501 ' C ' ' OD1' ' A' ' 70' ' ' ASP . 24.8 p30 -101.54 171.23 7.69 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 119.842 -0.743 . . . . 0.0 110.565 -178.685 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -53.48 -44.92 69.37 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.094 -178.508 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -62.1 -40.94 97.55 Favored 'General case' 0 C--O 1.241 0.637 0 C-N-CA 120.379 -0.528 . . . . 0.0 112.203 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.468 ' CD ' ' O ' ' A' ' 61' ' ' LEU . 92.4 mt-10 -65.04 -41.44 95.21 Favored 'General case' 0 C--O 1.241 0.611 0 CA-C-O 122.2 1.0 . . . . 0.0 109.658 179.538 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.406 ' CZ ' HD12 ' A' ' 36' ' ' LEU . 59.6 t80 -63.51 -41.45 98.51 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-N 114.68 -1.145 . . . . 0.0 109.985 178.322 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -60.31 -47.79 90.88 Favored 'Isoleucine or valine' 0 C--O 1.247 0.925 0 CA-C-N 113.813 -1.54 . . . . 0.0 110.236 -178.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 13.4 m -68.15 -34.07 64.44 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 C-N-CA 118.021 -1.472 . . . . 0.0 109.229 178.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 23.9 tp -57.16 -51.09 70.7 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 118.819 -1.152 . . . . 0.0 111.391 178.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.491 ' O ' ' OG1' ' A' ' 82' ' ' THR . 34.3 m -68.79 -36.44 74.27 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 C-N-CA 118.6 -1.24 . . . . 0.0 111.781 -179.272 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.47 -49.21 61.45 Favored 'General case' 0 C--O 1.251 1.136 0 C-N-CA 119.113 -1.035 . . . . 0.0 111.882 -179.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.01 -38.95 93.23 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 179.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.409 HD11 ' N ' ' A' ' 81' ' ' LEU . 10.3 mp -65.57 -34.36 78.07 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 119.152 -1.019 . . . . 0.0 109.713 176.671 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.491 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 34.5 m -62.68 -50.56 70.68 Favored 'General case' 0 C--O 1.247 0.934 0 C-N-CA 119.9 -0.72 . . . . 0.0 111.127 179.738 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.4 p -64.06 -39.8 86.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 119.14 -1.024 . . . . 0.0 110.986 179.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.91 -30.17 70.72 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 121.044 0.45 . . . . 0.0 110.064 178.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 24.3 t -68.48 -55.41 11.86 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.821 -179.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 53.9 t-20 -56.96 -40.61 76.8 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 118.375 -1.33 . . . . 0.0 108.765 179.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -59.07 -38.49 79.57 Favored 'General case' 0 CA--C 1.522 -0.124 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.792 178.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.546 ' O ' ' O ' ' A' ' 91' ' ' GLU . 67.7 t80 -63.89 -45.87 87.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.312 179.678 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -64.42 -51.65 62.08 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.402 -0.519 . . . . 0.0 111.857 -178.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.591 ' CD2' ' OH ' ' B' ' 26' ' ' TYR . 22.2 t-105 -65.59 -39.81 92.02 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-O 121.216 0.531 . . . . 0.0 112.113 179.504 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.546 ' O ' ' O ' ' A' ' 88' ' ' PHE . 3.7 tm-20 . . . . . 0 C--N 1.321 -0.635 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.835 -176.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 . . . . . 0 C--O 1.234 0.256 0 N-CA-C 112.408 0.522 . . . . 0.0 112.408 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 5.3 tt -63.57 -42.04 98.35 Favored 'General case' 0 C--O 1.24 0.575 0 C-N-CA 119.388 -0.925 . . . . 0.0 108.714 -179.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . 0.454 ' OE1' ' C ' ' B' ' 5' ' ' GLU . 6.1 tm-20 -63.85 -39.96 95.46 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 114.654 -1.157 . . . . 0.0 109.23 179.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 45.7 m -60.51 -40.14 90.33 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.284 178.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.68 -44.09 94.75 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.063 179.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 98.7 mtp -59.25 -40.83 87.21 Favored 'General case' 0 C--O 1.248 0.978 0 CA-C-O 121.713 0.768 . . . . 0.0 109.33 178.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -64.79 -36.46 84.38 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.272 -0.876 . . . . 0.0 109.981 178.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 48.3 m -63.49 -43.5 97.09 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 119.814 -0.754 . . . . 0.0 110.347 179.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 43.1 mt -62.03 -42.55 99.3 Favored 'General case' 0 C--O 1.242 0.661 0 C-N-CA 119.3 -0.96 . . . . 0.0 109.074 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.9 mt -61.92 -45.97 97.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.395 -0.821 . . . . 0.0 111.424 178.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -62.0 -41.27 97.87 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 -178.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 14.9 m -73.22 -41.37 58.19 Favored 'Isoleucine or valine' 0 C--O 1.256 1.423 0 C-N-CA 119.144 -1.023 . . . . 0.0 111.419 -179.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -59.9 -47.49 85.56 Favored 'General case' 0 CA--C 1.512 -0.488 0 C-N-CA 118.929 -1.108 . . . . 0.0 109.867 177.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -63.19 -35.54 80.65 Favored 'General case' 0 CA--C 1.503 -0.846 0 CA-C-N 115.241 -0.89 . . . . 0.0 109.798 178.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.503 ' O ' ' HB2' ' B' ' 21' ' ' LYS . . . -57.27 -51.47 69.23 Favored 'General case' 0 N--CA 1.437 -1.118 0 C-N-CA 118.875 -1.13 . . . . 0.0 109.641 -178.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.464 ' ND1' ' HG ' ' B' ' 36' ' ' LEU . 46.0 m80 -79.07 -52.51 8.11 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 114.737 1.384 . . . . 0.0 114.737 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.411 ' OG ' ' O ' ' B' ' 25' ' ' LYS . 23.1 t -58.23 -41.05 83.26 Favored 'General case' 0 C--N 1.34 0.169 0 C-N-CA 118.827 -1.149 . . . . 0.0 109.276 -179.072 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -71.7 -44.04 49.82 Favored Glycine 0 C--N 1.344 0.977 0 CA-C-N 115.497 -0.774 . . . . 0.0 112.461 178.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . 0.503 ' HB2' ' O ' ' B' ' 17' ' ' ALA . 6.8 ttpm? -58.79 -44.2 90.65 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 120.015 -0.674 . . . . 0.0 112.086 -179.654 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.533 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 84.7 tt0 -135.84 140.57 44.29 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.279 -0.568 . . . . 0.0 111.086 -179.579 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.83 -162.9 52.17 Favored Glycine 0 CA--C 1.521 0.428 0 C-N-CA 120.823 -0.703 . . . . 0.0 111.399 178.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -67.39 141.74 56.96 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 178.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.411 ' O ' ' OG ' ' B' ' 19' ' ' SER . 32.3 mtmt -60.58 -32.18 71.29 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.105 -0.498 . . . . 0.0 112.194 -177.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.591 ' OH ' ' CD2' ' A' ' 90' ' ' TRP . 96.9 m-85 -107.22 19.18 20.72 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 -177.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 28.5 tptt -137.85 138.11 38.8 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 118.943 -1.103 . . . . 0.0 109.032 178.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 14.0 tp -113.55 126.28 55.12 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 -178.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 87.2 p -98.29 167.59 10.76 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.507 0.194 . . . . 0.0 110.898 -179.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 24.8 ttpt -53.21 -49.29 67.05 Favored 'General case' 0 C--O 1.241 0.632 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -178.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.536 ' HG3' ' N ' ' B' ' 32' ' ' GLU . 23.7 pttm -61.55 -48.03 82.86 Favored 'General case' 0 N--CA 1.441 -0.878 0 C-N-CA 120.102 -0.639 . . . . 0.0 110.262 -178.697 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.536 ' N ' ' HG3' ' B' ' 31' ' ' LYS . 94.4 mt-10 -62.64 -49.8 73.73 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.165 -0.614 . . . . 0.0 111.985 -178.628 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 pp -61.19 -36.64 80.42 Favored 'General case' 0 CA--C 1.499 -0.983 0 C-N-CA 118.673 -1.211 . . . . 0.0 110.066 -179.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.739 ' NZ ' HE21 ' B' ' 38' ' ' GLN . 15.6 tptp -56.02 -36.33 67.84 Favored 'General case' 0 N--CA 1.435 -1.196 0 C-N-CA 118.083 -1.447 . . . . 0.0 108.074 178.421 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . 0.469 ' O ' ' CG2' ' B' ' 39' ' ' THR . 97.4 mt-10 -73.96 -39.95 63.38 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 179.177 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.464 ' HG ' ' ND1' ' B' ' 18' ' ' HIS . 3.9 tt -65.87 -45.38 82.31 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 119.809 -0.756 . . . . 0.0 111.314 -177.308 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.563 ' O ' ' O ' ' B' ' 41' ' ' LEU . 1.2 mm? -64.53 -43.07 95.17 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 118.682 -1.207 . . . . 0.0 110.942 179.758 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.739 HE21 ' NZ ' ' B' ' 34' ' ' LYS . 97.7 mt-30 -63.46 -39.23 93.9 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 120.316 -0.554 . . . . 0.0 111.678 179.432 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.469 ' CG2' ' O ' ' B' ' 35' ' ' GLU . 67.7 p -71.91 -33.09 68.02 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.686 -0.405 . . . . 0.0 111.574 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -101.65 -59.99 1.61 Allowed 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 -178.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.563 ' O ' ' O ' ' B' ' 37' ' ' LEU . 53.3 mt -99.55 140.78 33.24 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.317 0.58 . . . . 0.0 111.798 -178.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -110.82 -60.95 1.75 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.679 179.614 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.86 -39.45 93.93 Favored Glycine 0 CA--C 1.531 1.04 0 CA-C-N 115.886 -0.597 . . . . 0.0 114.426 -177.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -61.57 -52.23 65.28 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 118.16 0.98 . . . . 0.0 112.539 -178.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -73.06 -38.88 66.3 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.321 -0.552 . . . . 0.0 111.544 178.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -60.54 -30.73 69.94 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.587 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.46 -29.83 62.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.061 -0.518 . . . . 0.0 112.137 -177.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -91.38 118.04 30.19 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 119.453 -0.899 . . . . 0.0 110.023 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -63.59 -36.25 83.19 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 113.796 1.035 . . . . 0.0 113.796 -179.052 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -69.86 142.31 53.07 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -177.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 4.4 m -73.94 -26.88 21.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.228 178.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -79.82 1.52 26.57 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.531 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.95 -36.74 70.63 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.9 -179.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.526 ' CG1' ' N ' ' B' ' 55' ' ' ASP . 7.8 p -59.7 -43.96 92.58 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 C-N-CA 119.873 -0.731 . . . . 0.0 109.96 178.625 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.526 ' N ' ' CG1' ' B' ' 54' ' ' VAL . 90.7 m-20 -61.57 -42.25 98.57 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.479 179.138 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -60.85 -38.64 86.21 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.028 179.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 77.9 t -65.17 -44.71 95.33 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.319 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.514 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -69.96 -32.94 71.44 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 -178.639 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 17.0 mtmm -58.49 -41.13 84.61 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 119.768 -0.773 . . . . 0.0 113.026 -177.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -72.35 -35.09 68.44 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 119.616 -0.834 . . . . 0.0 110.493 179.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.465 ' O ' ' CD ' ' B' ' 73' ' ' GLU . 92.8 mt -67.38 -35.12 78.69 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.602 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.509 ' OD1' ' OD1' ' B' ' 66' ' ' ASP . 47.1 t0 -73.09 90.64 1.55 Allowed 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 118.412 -1.315 . . . . 0.0 111.393 -177.531 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -65.37 -47.47 76.3 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 122.59 1.186 . . . . 0.0 111.415 176.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 31.8 m120 -59.65 -34.68 73.13 Favored 'General case' 0 C--N 1.3 -1.587 0 CA-C-N 112.565 -2.107 . . . . 0.0 113.036 -178.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 89.25 3.73 75.22 Favored Glycine 0 CA--C 1.528 0.896 0 N-CA-C 108.003 -2.039 . . . . 0.0 108.003 -176.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.65 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 50.1 p30 -61.74 -31.96 72.17 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 113.85 -1.175 . . . . 0.0 113.041 -179.673 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.65 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 99.51 -4.71 58.32 Favored Glycine 0 CA--C 1.521 0.442 0 N-CA-C 109.004 -1.638 . . . . 0.0 109.004 -178.189 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.489 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 55.8 mp0 -112.86 154.72 25.87 Favored 'General case' 0 C--O 1.241 0.613 0 CA-C-N 114.531 -0.835 . . . . 0.0 110.965 178.208 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 46.6 t -106.69 131.19 57.16 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 177.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.494 ' C ' ' OD1' ' B' ' 70' ' ' ASP . 25.5 p30 -101.34 171.21 7.73 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 119.836 -0.746 . . . . 0.0 110.601 -178.732 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -53.6 -44.77 69.69 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.09 -178.597 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -62.13 -41.05 97.88 Favored 'General case' 0 C--O 1.242 0.669 0 C-N-CA 120.401 -0.52 . . . . 0.0 112.235 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.465 ' CD ' ' O ' ' B' ' 61' ' ' LEU . 92.4 mt-10 -64.95 -41.45 95.49 Favored 'General case' 0 C--O 1.24 0.565 0 CA-C-O 122.253 1.025 . . . . 0.0 109.671 179.529 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 59.7 t80 -63.49 -41.41 98.55 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-N 114.666 -1.152 . . . . 0.0 110.015 178.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -60.31 -47.84 90.7 Favored 'Isoleucine or valine' 0 C--O 1.247 0.931 0 CA-C-N 113.766 -1.561 . . . . 0.0 110.245 -178.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 13.1 m -68.04 -34.17 65.33 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 C-N-CA 118.024 -1.47 . . . . 0.0 109.273 178.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 23.8 tp -57.08 -51.14 70.47 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 118.793 -1.163 . . . . 0.0 111.456 178.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.484 ' O ' ' OG1' ' B' ' 82' ' ' THR . 34.3 m -68.77 -36.37 73.99 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 C-N-CA 118.557 -1.257 . . . . 0.0 111.822 -179.306 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.44 -49.24 61.36 Favored 'General case' 0 C--O 1.251 1.144 0 C-N-CA 119.121 -1.032 . . . . 0.0 111.935 -179.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.01 -38.85 92.83 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.418 ' N ' HD11 ' B' ' 81' ' ' LEU . 10.2 mp -65.59 -34.5 78.39 Favored 'General case' 0 C--O 1.217 -0.655 0 C-N-CA 119.154 -1.018 . . . . 0.0 109.67 176.643 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.484 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 34.2 m -62.59 -50.53 70.91 Favored 'General case' 0 C--O 1.246 0.896 0 C-N-CA 119.872 -0.731 . . . . 0.0 111.075 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 13.2 p -64.11 -39.7 86.43 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 119.135 -1.026 . . . . 0.0 111.029 179.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.95 -30.18 70.71 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.062 178.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 24.0 t -68.43 -55.47 11.78 Favored 'General case' 0 CA--C 1.509 -0.608 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.836 -179.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 53.9 t-20 -56.96 -40.62 76.8 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 118.362 -1.335 . . . . 0.0 108.725 179.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -59.18 -38.29 79.43 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.805 178.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.545 ' O ' ' O ' ' B' ' 91' ' ' GLU . 67.8 t80 -63.93 -45.91 87.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.289 179.6 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -64.39 -51.75 61.66 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.416 -0.514 . . . . 0.0 111.773 -178.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 90' ' ' TRP . . . . . 0.6 ' CD2' ' OH ' ' A' ' 26' ' ' TYR . 21.9 t-105 -65.61 -39.68 91.78 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-O 121.181 0.515 . . . . 0.0 112.142 179.572 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . 0.545 ' O ' ' O ' ' B' ' 88' ' ' PHE . 3.7 tm-20 . . . . . 0 C--N 1.322 -0.618 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.86 -176.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 78.1 tt0 . . . . . 0 C--O 1.245 0.843 0 CA-C-O 120.871 0.367 . . . . 0.0 111.847 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.3 tt -54.55 -41.2 69.5 Favored 'General case' 0 C--O 1.242 0.683 0 N-CA-C 107.713 -1.217 . . . . 0.0 107.713 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.412 ' OE2' ' CD2' ' B' ' 41' ' ' LEU . 71.7 mm-40 -64.38 -35.72 81.82 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.349 177.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 43.6 m -58.24 -42.1 85.62 Favored 'General case' 0 C--O 1.238 0.481 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 178.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.18 -44.22 92.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.576 178.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 99.2 mtp -59.38 -41.19 88.76 Favored 'General case' 0 C--O 1.249 1.078 0 CA-C-O 121.816 0.817 . . . . 0.0 109.621 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -64.76 -35.55 81.45 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-N 115.133 -0.94 . . . . 0.0 109.459 177.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 55.3 m -63.34 -43.44 97.72 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 119.2 -1.0 . . . . 0.0 110.39 179.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 38.2 mt -61.03 -42.56 98.71 Favored 'General case' 0 C--O 1.241 0.632 0 C-N-CA 119.101 -1.04 . . . . 0.0 108.459 -179.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.9 mt -61.12 -45.55 98.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.261 178.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -62.49 -41.52 98.86 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 113.237 0.828 . . . . 0.0 113.237 -178.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.4 m -73.54 -41.99 55.91 Favored 'Isoleucine or valine' 0 C--O 1.26 1.618 0 C-N-CA 119.195 -1.002 . . . . 0.0 110.822 -179.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -60.63 -46.59 89.71 Favored 'General case' 0 CA--C 1.509 -0.613 0 C-N-CA 119.39 -0.924 . . . . 0.0 109.381 177.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -62.04 -36.42 81.56 Favored 'General case' 0 CA--C 1.503 -0.853 0 CA-C-N 114.997 -1.001 . . . . 0.0 109.756 178.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.51 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . -57.39 -51.27 70.08 Favored 'General case' 0 N--CA 1.435 -1.206 0 C-N-CA 119.065 -1.054 . . . . 0.0 109.598 -178.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.433 ' ND1' ' HG ' ' A' ' 36' ' ' LEU . 30.4 m80 -79.27 -52.58 7.94 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 114.809 1.411 . . . . 0.0 114.809 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.518 ' HG ' ' C ' ' A' ' 25' ' ' LYS . 20.0 t -58.31 -40.19 81.39 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 119.319 -0.952 . . . . 0.0 109.498 -178.733 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.17 -44.96 27.28 Favored Glycine 0 C--N 1.345 1.07 0 CA-C-N 115.847 -0.615 . . . . 0.0 112.468 178.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.51 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 6.7 ttpm? -58.18 -44.07 87.83 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 120.183 -0.607 . . . . 0.0 111.802 -179.64 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.535 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 84.7 tt0 -133.33 137.06 45.76 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.204 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.57 -164.16 53.97 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 178.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.513 ' O ' ' OG ' ' A' ' 19' ' ' SER . 88.3 m-20 -70.08 142.97 52.57 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 178.62 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.518 ' C ' ' HG ' ' A' ' 19' ' ' SER . 51.0 mttm -60.54 -32.95 71.98 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.82 0.819 . . . . 0.0 110.344 -178.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.602 ' OH ' ' CD2' ' B' ' 90' ' ' TRP . 97.9 m-85 -102.71 15.9 27.99 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 114.666 -1.152 . . . . 0.0 112.939 -175.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.595 ' NZ ' ' OD2' ' A' ' 66' ' ' ASP . 5.1 tptt -140.8 138.39 34.03 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 118.948 -1.101 . . . . 0.0 109.39 178.745 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.3 tp -113.43 129.55 56.52 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 -178.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.4 t -102.11 159.59 15.25 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.662 -0.245 . . . . 0.0 110.456 -179.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.9 ttpt -52.35 -46.78 66.27 Favored 'General case' 0 C--O 1.239 0.541 0 C-N-CA 120.439 -0.504 . . . . 0.0 111.231 -178.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.556 ' CG ' ' N ' ' A' ' 32' ' ' GLU . 21.7 pttm -60.36 -48.25 82.55 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.116 -178.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.556 ' N ' ' CG ' ' A' ' 31' ' ' LYS . 94.7 mt-10 -62.97 -48.48 78.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.031 -178.653 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 pp -62.25 -34.3 76.26 Favored 'General case' 0 CA--C 1.497 -1.082 0 C-N-CA 118.699 -1.2 . . . . 0.0 110.368 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.705 ' NZ ' HE22 ' A' ' 38' ' ' GLN . 0.8 OUTLIER -54.92 -36.67 65.5 Favored 'General case' 0 N--CA 1.435 -1.211 0 C-N-CA 117.743 -1.583 . . . . 0.0 107.583 178.25 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.46 ' O ' ' CG2' ' A' ' 39' ' ' THR . 97.2 mt-10 -75.62 -41.31 54.66 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 178.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.433 ' HG ' ' ND1' ' A' ' 18' ' ' HIS . 2.4 tt -66.19 -46.77 76.13 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 120.097 -0.641 . . . . 0.0 111.879 -176.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.583 ' CD2' ' N ' ' A' ' 37' ' ' LEU . 1.2 mm? -65.01 -41.75 95.06 Favored 'General case' 0 CA--C 1.52 -0.206 0 C-N-CA 118.611 -1.235 . . . . 0.0 110.872 -179.657 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.705 HE22 ' NZ ' ' A' ' 34' ' ' LYS . 95.8 mt-30 -64.34 -39.78 94.56 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.418 -0.513 . . . . 0.0 111.924 179.425 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.46 ' CG2' ' O ' ' A' ' 35' ' ' GLU . 63.9 p -70.97 -39.24 72.64 Favored 'General case' 0 C--N 1.334 -0.105 0 C-N-CA 120.215 -0.594 . . . . 0.0 111.568 -179.659 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.427 ' N ' ' HG1' ' A' ' 39' ' ' THR . 80.1 mm-40 -90.87 -48.98 6.69 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.69 -0.404 . . . . 0.0 111.908 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.572 ' N ' ' O ' ' A' ' 37' ' ' LEU . 26.3 mt -107.62 142.5 37.47 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.24 0.543 . . . . 0.0 111.377 -179.403 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.7 t -115.87 -65.86 1.14 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.329 178.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.85 -38.03 91.64 Favored Glycine 0 CA--C 1.532 1.104 0 CA-C-N 115.73 -0.668 . . . . 0.0 113.712 -179.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -60.77 -53.41 57.69 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 117.954 0.877 . . . . 0.0 112.132 -178.043 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -74.24 -39.71 62.87 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 120.36 -0.536 . . . . 0.0 111.068 178.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -61.34 -30.03 70.26 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.503 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.83 -29.29 59.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.118 -0.492 . . . . 0.0 112.012 -177.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -90.08 118.96 30.02 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 119.467 -0.893 . . . . 0.0 109.687 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.1 tttp -62.72 -39.69 94.86 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 -178.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -70.36 142.41 52.13 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 -177.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.6 m -73.01 -27.62 24.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 178.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -72.54 -6.27 42.75 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 114.887 -1.051 . . . . 0.0 109.391 179.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.44 -37.75 68.11 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.198 -178.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.498 ' CG1' ' N ' ' A' ' 55' ' ' ASP . 9.9 p -59.95 -42.99 91.3 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 C-N-CA 119.609 -0.836 . . . . 0.0 109.888 178.285 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.498 ' N ' ' CG1' ' A' ' 54' ' ' VAL . 88.3 m-20 -61.52 -42.36 98.69 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.652 179.485 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 53.4 mttp -60.95 -39.16 88.44 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.254 -0.578 . . . . 0.0 110.237 179.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 75.0 t -66.15 -45.09 91.15 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.499 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.418 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -70.72 -35.86 72.93 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 114.506 1.299 . . . . 0.0 114.506 -178.142 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.7 mmtm -60.47 -40.44 91.23 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 119.852 -0.739 . . . . 0.0 112.94 -179.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -71.24 -35.76 71.55 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 119.425 -0.91 . . . . 0.0 110.435 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 63' ' ' GLU . 97.6 mt -67.16 -36.14 81.19 Favored 'General case' 0 CA--C 1.509 -0.616 0 CA-C-N 116.001 -0.545 . . . . 0.0 112.028 179.447 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -71.51 71.39 0.68 Allowed 'General case' 0 N--CA 1.444 -0.74 0 C-N-CA 118.312 -1.355 . . . . 0.0 110.634 -178.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 61' ' ' LEU . 86.8 tt0 -62.71 -36.99 84.77 Favored 'General case' 0 CA--C 1.497 -1.07 0 N-CA-C 107.15 -1.426 . . . . 0.0 107.15 175.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.481 ' OD1' ' OD2' ' A' ' 66' ' ' ASP . 17.7 t-20 -57.31 -39.6 76.15 Favored 'General case' 0 N--CA 1.429 -1.488 0 CA-C-N 111.582 -2.553 . . . . 0.0 111.275 178.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.07 18.49 71.99 Favored Glycine 0 CA--C 1.529 0.935 0 C-N-CA 121.314 -0.47 . . . . 0.0 112.781 178.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.595 ' OD2' ' NZ ' ' A' ' 27' ' ' LYS . 53.8 p30 -88.79 2.02 54.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 117.41 0.605 . . . . 0.0 112.328 -179.716 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 86.46 -2.48 87.41 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.519 -1.033 . . . . 0.0 110.519 178.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.509 ' OE1' ' O ' ' A' ' 66' ' ' ASP . 55.9 mp0 -122.09 161.14 23.61 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 115.38 -0.41 . . . . 0.0 110.398 179.594 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 47.9 t -101.82 130.26 51.8 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 N-CA-C 106.326 -1.731 . . . . 0.0 106.326 176.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.524 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 49.6 t0 -99.94 161.88 13.34 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.233 0.54 . . . . 0.0 111.823 -177.133 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.524 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 1.0 OUTLIER -50.36 -44.66 54.7 Favored 'General case' 0 C--O 1.217 -0.654 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.695 -178.451 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -61.98 -40.37 95.38 Favored 'General case' 0 C--O 1.244 0.814 0 C-N-CA 119.731 -0.788 . . . . 0.0 110.741 178.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -64.15 -42.97 96.55 Favored 'General case' 0 C--O 1.244 0.798 0 CA-C-O 122.53 1.157 . . . . 0.0 109.733 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.414 ' CE1' HD13 ' A' ' 36' ' ' LEU . 64.5 t80 -63.34 -41.02 98.85 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 114.232 -1.349 . . . . 0.0 110.256 178.592 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -59.91 -47.72 90.51 Favored 'Isoleucine or valine' 0 C--O 1.247 0.972 0 CA-C-N 113.771 -1.559 . . . . 0.0 109.661 -178.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 17.1 m -67.13 -34.71 71.34 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.587 0 C-N-CA 117.794 -1.563 . . . . 0.0 109.466 178.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 25.7 tp -57.59 -50.25 73.73 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 118.826 -1.15 . . . . 0.0 111.866 178.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.466 ' O ' ' OG1' ' A' ' 82' ' ' THR . 35.1 m -69.02 -36.0 71.69 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.254 0 C-N-CA 118.658 -1.217 . . . . 0.0 111.587 -179.223 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.48 -48.03 65.54 Favored 'General case' 0 C--O 1.248 0.996 0 C-N-CA 118.996 -1.082 . . . . 0.0 111.691 -179.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.26 -39.79 95.57 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.13 179.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.412 ' N ' HD12 ' A' ' 81' ' ' LEU . 10.3 mp -65.27 -34.77 79.13 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 119.425 -0.91 . . . . 0.0 109.909 176.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.466 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 35.9 m -63.47 -50.3 70.26 Favored 'General case' 0 C--O 1.245 0.852 0 C-N-CA 119.845 -0.742 . . . . 0.0 111.454 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.459 ' O ' ' OD1' ' A' ' 87' ' ' ASN . 13.7 p -63.74 -38.93 83.59 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 C-N-CA 119.042 -1.063 . . . . 0.0 110.524 178.742 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.51 -30.62 71.4 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.832 178.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 38.7 t -67.57 -54.31 20.94 Favored 'General case' 0 CA--C 1.51 -0.588 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.43 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -55.9 -41.07 73.96 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 118.635 -1.226 . . . . 0.0 108.563 178.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.459 ' OD1' ' O ' ' A' ' 83' ' ' VAL . 25.1 m120 -59.22 -38.24 79.46 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.768 178.18 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -63.42 -46.97 83.89 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.936 179.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -62.87 -49.6 74.23 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -178.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.602 ' CD2' ' OH ' ' B' ' 26' ' ' TYR . 11.0 t-105 -71.75 -51.1 24.47 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-O 121.296 0.569 . . . . 0.0 112.421 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.447 ' C ' ' OE1' ' A' ' 91' ' ' GLU . 7.9 tm-20 . . . . . 0 C--N 1.313 -1.001 0 CA-C-N 115.229 -0.896 . . . . 0.0 112.135 -177.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 . . . . . 0 C--O 1.246 0.901 0 CA-C-O 120.792 0.33 . . . . 0.0 111.791 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 6.3 tt -54.54 -41.23 69.49 Favored 'General case' 0 C--O 1.243 0.718 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . 0.402 ' OE2' ' CD2' ' A' ' 41' ' ' LEU . 71.5 mm-40 -64.41 -35.67 81.67 Favored 'General case' 0 CA--C 1.512 -0.501 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.426 177.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 42.7 m -58.28 -41.9 85.36 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 178.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.36 -44.14 92.36 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.573 178.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 99.2 mtp -59.45 -41.17 89.05 Favored 'General case' 0 C--O 1.25 1.107 0 CA-C-O 121.77 0.795 . . . . 0.0 109.642 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -64.69 -36.2 83.52 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.372 177.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 54.0 m -62.56 -43.77 97.99 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 119.329 -0.948 . . . . 0.0 110.438 178.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 42.4 mt -60.99 -42.41 98.33 Favored 'General case' 0 C--O 1.241 0.608 0 C-N-CA 119.07 -1.052 . . . . 0.0 108.545 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.442 HG21 HD12 ' B' ' 12' ' ' ILE . 97.8 mt -61.27 -45.51 98.46 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.131 178.5 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -62.46 -41.54 98.83 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -178.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 14.5 m -73.66 -41.85 55.07 Favored 'Isoleucine or valine' 0 C--O 1.26 1.617 0 C-N-CA 119.17 -1.012 . . . . 0.0 110.793 -179.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -60.68 -46.63 89.63 Favored 'General case' 0 CA--C 1.508 -0.636 0 C-N-CA 119.348 -0.941 . . . . 0.0 109.414 177.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -61.94 -36.4 81.27 Favored 'General case' 0 CA--C 1.502 -0.878 0 CA-C-N 114.988 -1.005 . . . . 0.0 109.847 178.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.513 ' O ' ' CB ' ' B' ' 21' ' ' LYS . . . -57.37 -51.32 69.86 Favored 'General case' 0 N--CA 1.435 -1.185 0 C-N-CA 119.104 -1.038 . . . . 0.0 109.609 -179.063 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.443 ' ND1' ' HG ' ' B' ' 36' ' ' LEU . 30.3 m80 -79.19 -52.61 7.93 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 114.794 1.405 . . . . 0.0 114.794 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.525 ' HG ' ' C ' ' B' ' 25' ' ' LYS . 20.0 t -58.37 -40.26 81.79 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 119.457 -0.897 . . . . 0.0 109.444 -178.701 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.15 -44.95 27.41 Favored Glycine 0 C--N 1.345 1.053 0 CA-C-N 115.826 -0.625 . . . . 0.0 112.432 178.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . 0.513 ' CB ' ' O ' ' B' ' 17' ' ' ALA . 6.7 ttpm? -58.22 -44.05 88.02 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 120.161 -0.616 . . . . 0.0 111.783 -179.567 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.543 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 84.7 tt0 -133.31 137.14 45.84 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.503 -0.479 . . . . 0.0 110.172 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.49 -164.13 54.03 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 178.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . 0.518 ' O ' ' OG ' ' B' ' 19' ' ' SER . 88.6 m-20 -70.14 142.94 52.47 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 178.7 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.525 ' C ' ' HG ' ' B' ' 19' ' ' SER . 51.0 mttm -60.51 -32.97 71.96 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.682 0.753 . . . . 0.0 110.275 -178.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.602 ' OH ' ' CD2' ' A' ' 90' ' ' TRP . 97.8 m-85 -102.62 15.9 27.94 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 114.704 -1.135 . . . . 0.0 112.954 -175.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.604 ' NZ ' ' OD2' ' B' ' 66' ' ' ASP . 5.0 tptt -140.75 138.44 34.16 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 118.909 -1.117 . . . . 0.0 109.483 178.758 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 15.3 tp -113.55 129.43 56.56 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 -178.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 24.2 t -102.06 159.59 15.24 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.495 -179.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 23.0 ttpt -52.33 -46.72 66.17 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-O 121.205 0.526 . . . . 0.0 111.319 -178.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.543 ' CG ' ' N ' ' B' ' 32' ' ' GLU . 21.7 pttm -60.53 -48.1 83.27 Favored 'General case' 0 N--CA 1.44 -0.975 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.018 -178.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.543 ' N ' ' CG ' ' B' ' 31' ' ' LYS . 94.7 mt-10 -63.07 -48.52 78.3 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.963 -178.63 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 pp -62.2 -34.32 76.24 Favored 'General case' 0 CA--C 1.498 -1.051 0 C-N-CA 118.755 -1.178 . . . . 0.0 110.398 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.711 ' NZ ' HE22 ' B' ' 38' ' ' GLN . 0.8 OUTLIER -54.93 -36.68 65.53 Favored 'General case' 0 N--CA 1.435 -1.19 0 C-N-CA 117.729 -1.588 . . . . 0.0 107.574 178.249 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . 0.449 ' O ' ' CG2' ' B' ' 39' ' ' THR . 97.3 mt-10 -75.59 -41.31 54.88 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 178.755 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.443 ' HG ' ' ND1' ' B' ' 18' ' ' HIS . 2.5 tt -66.19 -46.79 76.08 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 120.155 -0.618 . . . . 0.0 111.901 -176.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.584 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 1.1 mm? -64.91 -41.82 95.26 Favored 'General case' 0 CA--C 1.52 -0.211 0 C-N-CA 118.74 -1.184 . . . . 0.0 110.891 -179.727 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.711 HE22 ' NZ ' ' B' ' 34' ' ' LYS . 95.8 mt-30 -64.4 -39.79 94.53 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.405 -0.518 . . . . 0.0 111.85 179.485 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.449 ' CG2' ' O ' ' B' ' 35' ' ' GLU . 63.0 p -70.95 -39.26 72.7 Favored 'General case' 0 C--O 1.232 0.158 0 C-N-CA 120.21 -0.596 . . . . 0.0 111.594 -179.63 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.409 ' N ' ' HG1' ' B' ' 39' ' ' THR . 80.1 mm-40 -90.84 -49.04 6.66 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.752 -0.379 . . . . 0.0 111.938 179.723 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.567 ' N ' ' O ' ' B' ' 37' ' ' LEU . 26.3 mt -107.47 142.51 37.23 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.17 0.509 . . . . 0.0 111.409 -179.448 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 6.7 t -115.96 -65.8 1.15 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.268 178.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.87 -38.01 91.73 Favored Glycine 0 CA--C 1.531 1.066 0 CA-C-N 115.84 -0.618 . . . . 0.0 113.71 -179.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -60.74 -53.52 56.34 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 117.991 0.895 . . . . 0.0 112.145 -178.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -74.06 -39.83 63.22 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 120.427 -0.509 . . . . 0.0 111.121 178.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -61.23 -30.05 70.21 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.609 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.83 -29.25 59.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.041 -0.527 . . . . 0.0 112.052 -177.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 90.4 mm-40 -90.2 119.0 30.15 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 119.488 -0.885 . . . . 0.0 109.725 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 37.1 tttp -62.77 -39.6 94.69 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 -178.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -70.38 142.42 52.1 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -177.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 4.6 m -73.01 -27.63 24.98 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 178.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -72.56 -6.18 42.22 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 114.889 -1.05 . . . . 0.0 109.378 179.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.43 -37.76 68.1 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.137 -178.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.498 ' CG1' ' N ' ' B' ' 55' ' ' ASP . 9.9 p -59.97 -43.0 91.44 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 C-N-CA 119.573 -0.851 . . . . 0.0 109.827 178.354 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.498 ' N ' ' CG1' ' B' ' 54' ' ' VAL . 88.3 m-20 -61.5 -42.32 98.62 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.67 179.561 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 53.5 mttp -60.93 -39.21 88.55 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.248 -0.581 . . . . 0.0 110.265 179.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 75.1 t -66.08 -45.19 91.16 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.488 0 CA-C-N 115.87 -0.605 . . . . 0.0 112.422 -179.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -70.67 -35.84 73.04 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 114.517 1.303 . . . . 0.0 114.517 -178.132 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 28.7 mmtm -60.55 -40.43 91.55 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 119.777 -0.769 . . . . 0.0 112.965 -179.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -71.22 -35.7 71.6 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 119.412 -0.915 . . . . 0.0 110.475 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' B' ' 63' ' ' GLU . 97.7 mt -67.2 -36.15 81.13 Favored 'General case' 0 CA--C 1.509 -0.635 0 CA-C-N 116.044 -0.525 . . . . 0.0 112.069 179.407 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -71.48 71.38 0.67 Allowed 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 118.312 -1.355 . . . . 0.0 110.56 -178.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' B' ' 61' ' ' LEU . 86.8 tt0 -62.62 -37.21 85.4 Favored 'General case' 0 CA--C 1.498 -1.026 0 N-CA-C 107.078 -1.453 . . . . 0.0 107.078 175.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.482 ' OD1' ' OD2' ' B' ' 66' ' ' ASP . 17.7 t-20 -57.21 -39.53 75.63 Favored 'General case' 0 N--CA 1.429 -1.484 0 CA-C-N 111.515 -2.584 . . . . 0.0 111.388 178.797 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.06 18.4 72.23 Favored Glycine 0 CA--C 1.529 0.958 0 C-N-CA 121.391 -0.433 . . . . 0.0 112.808 177.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.604 ' OD2' ' NZ ' ' B' ' 27' ' ' LYS . 54.2 p30 -88.6 1.94 54.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 117.373 0.586 . . . . 0.0 112.309 -179.742 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 86.47 -2.58 87.41 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.538 -1.025 . . . . 0.0 110.538 179.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.514 ' OE1' ' O ' ' B' ' 66' ' ' ASP . 55.9 mp0 -122.08 161.18 23.53 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 115.371 -0.414 . . . . 0.0 110.381 179.608 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 48.0 t -101.83 130.29 51.75 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 N-CA-C 106.337 -1.727 . . . . 0.0 106.337 176.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.542 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 49.0 t0 -99.83 161.82 13.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.267 0.556 . . . . 0.0 111.809 -177.058 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.542 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 1.0 OUTLIER -50.48 -44.62 55.85 Favored 'General case' 0 C--O 1.217 -0.64 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.598 -178.509 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -61.9 -40.33 95.06 Favored 'General case' 0 C--O 1.246 0.901 0 C-N-CA 119.733 -0.787 . . . . 0.0 110.799 178.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -64.24 -43.07 96.03 Favored 'General case' 0 C--O 1.243 0.746 0 CA-C-O 122.518 1.151 . . . . 0.0 109.614 -179.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . 0.41 ' CE1' HD13 ' B' ' 36' ' ' LEU . 64.3 t80 -63.17 -41.11 99.18 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.281 -1.327 . . . . 0.0 110.252 178.581 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -59.97 -47.66 90.83 Favored 'Isoleucine or valine' 0 C--O 1.248 0.978 0 CA-C-N 113.805 -1.543 . . . . 0.0 109.663 -178.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 17.2 m -67.23 -34.62 70.4 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.584 0 C-N-CA 117.722 -1.591 . . . . 0.0 109.473 178.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 25.7 tp -57.56 -50.36 73.36 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 118.886 -1.125 . . . . 0.0 111.791 178.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.463 ' O ' ' OG1' ' B' ' 82' ' ' THR . 34.9 m -68.88 -36.14 72.68 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 C-N-CA 118.78 -1.168 . . . . 0.0 111.596 -179.225 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.4 -48.03 65.74 Favored 'General case' 0 C--O 1.25 1.084 0 C-N-CA 118.965 -1.094 . . . . 0.0 111.814 -179.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.23 -39.8 95.63 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.65 -0.704 . . . . 0.0 109.163 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.425 ' N ' HD12 ' B' ' 81' ' ' LEU . 10.2 mp -65.3 -34.81 79.22 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 119.509 -0.877 . . . . 0.0 109.881 176.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.463 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 36.8 m -63.43 -50.3 70.32 Favored 'General case' 0 C--O 1.246 0.908 0 C-N-CA 119.803 -0.759 . . . . 0.0 111.39 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . 0.467 ' O ' ' OD1' ' B' ' 87' ' ' ASN . 13.8 p -63.7 -38.96 83.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 C-N-CA 119.057 -1.057 . . . . 0.0 110.535 178.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.45 -30.66 71.47 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.82 178.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 38.6 t -67.53 -54.47 19.72 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.384 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -55.82 -41.03 73.6 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 118.63 -1.228 . . . . 0.0 108.651 178.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . 0.467 ' OD1' ' O ' ' B' ' 83' ' ' VAL . 25.1 m120 -59.19 -38.33 79.59 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.816 178.141 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -63.39 -47.0 83.86 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.888 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -62.85 -49.6 74.25 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -178.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 90' ' ' TRP . . . . . 0.602 ' CD2' ' OH ' ' A' ' 26' ' ' TYR . 10.9 t-105 -71.84 -50.99 24.65 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-O 121.24 0.543 . . . . 0.0 112.388 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . 0.45 ' OE1' ' C ' ' B' ' 91' ' ' GLU . 7.9 tm-20 . . . . . 0 C--N 1.313 -1.012 0 CA-C-N 115.284 -0.871 . . . . 0.0 112.197 -177.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 55.7 mp0 . . . . . 0 C--O 1.241 0.636 0 N-CA-C 111.838 0.311 . . . . 0.0 111.838 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.7 tt -60.24 -40.12 89.13 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 107.583 -1.265 . . . . 0.0 107.583 -179.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.47 -37.43 87.49 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.002 178.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.1 m -59.12 -41.91 89.32 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 179.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.61 -45.07 88.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.549 179.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 99.2 mtp -59.65 -41.3 90.22 Favored 'General case' 0 C--O 1.248 0.991 0 CA-C-O 121.584 0.707 . . . . 0.0 109.733 179.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.84 -35.74 82.09 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.839 177.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 41.5 m -63.77 -43.23 97.01 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 119.523 -0.871 . . . . 0.0 110.145 179.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 37.4 mt -61.57 -42.53 98.98 Favored 'General case' 0 C--O 1.242 0.702 0 C-N-CA 119.295 -0.962 . . . . 0.0 108.821 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 99.5 mt -61.81 -46.78 95.78 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 C-N-CA 119.509 -0.876 . . . . 0.0 110.85 178.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -61.91 -40.78 96.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.885 -179.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.0 m -72.9 -39.78 59.06 Favored 'Isoleucine or valine' 0 C--O 1.246 0.888 0 C-N-CA 118.726 -1.19 . . . . 0.0 111.067 -179.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -60.88 -48.17 83.03 Favored 'General case' 0 C--N 1.345 0.374 0 C-N-CA 118.577 -1.249 . . . . 0.0 110.163 177.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -63.06 -36.0 82.11 Favored 'General case' 0 CA--C 1.504 -0.817 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.052 178.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.54 ' O ' ' HB2' ' A' ' 21' ' ' LYS . . . -55.37 -50.57 69.35 Favored 'General case' 0 CA--C 1.492 -1.27 0 C-N-CA 118.781 -1.168 . . . . 0.0 108.623 -179.213 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.671 ' NE2' ' O ' ' A' ' 32' ' ' GLU . 13.4 t-80 -76.81 -55.54 5.39 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 116.256 1.947 . . . . 0.0 116.256 -177.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.43 ' OG ' ' O ' ' A' ' 25' ' ' LYS . 23.0 t -58.79 -41.21 86.15 Favored 'General case' 0 CA--C 1.509 -0.608 0 N-CA-C 107.88 -1.156 . . . . 0.0 107.88 -179.046 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.55 -43.41 94.64 Favored Glycine 0 C--N 1.349 1.258 0 O-C-N 124.642 1.214 . . . . 0.0 111.182 177.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.54 ' HB2' ' O ' ' A' ' 17' ' ' ALA . 5.4 ttpm? -60.08 -44.13 95.01 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 -178.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -131.97 141.84 49.42 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 113.709 1.004 . . . . 0.0 113.709 -177.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 63.83 -131.47 40.12 Favored Glycine 0 CA--C 1.524 0.603 0 CA-C-N 115.093 -0.958 . . . . 0.0 112.992 177.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -79.41 125.16 29.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.066 -0.567 . . . . 0.0 110.251 -179.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.43 ' O ' ' OG ' ' A' ' 19' ' ' SER . 35.3 mtmt -58.53 -32.46 68.88 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.38 -0.827 . . . . 0.0 112.914 -177.512 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.607 ' OH ' ' CH2' ' B' ' 90' ' ' TRP . 97.3 m-85 -107.85 19.71 19.72 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 -178.034 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.418 ' NZ ' ' OD2' ' A' ' 66' ' ' ASP . 34.6 tptt -143.23 145.56 32.87 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 119.154 -1.018 . . . . 0.0 109.447 179.231 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.581 HD12 ' HD1' ' A' ' 18' ' ' HIS . 5.7 tp -112.29 128.95 56.42 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 119.977 -0.689 . . . . 0.0 109.996 -177.593 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.8 t -103.66 156.9 17.44 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.4 ttpm? -53.75 -47.17 70.92 Favored 'General case' 0 C--O 1.244 0.789 0 CA-C-O 121.43 0.633 . . . . 0.0 111.948 -177.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.599 ' CG ' ' N ' ' A' ' 32' ' ' GLU . 55.1 pttt -59.41 -47.57 84.95 Favored 'General case' 0 N--CA 1.44 -0.939 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.367 -178.668 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.671 ' O ' ' NE2' ' A' ' 18' ' ' HIS . 94.8 mt-10 -62.7 -48.83 77.57 Favored 'General case' 0 C--O 1.244 0.8 0 CA-C-N 115.035 -0.984 . . . . 0.0 112.158 -178.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.8 pp -62.25 -33.47 74.67 Favored 'General case' 0 CA--C 1.499 -1.015 0 C-N-CA 118.462 -1.295 . . . . 0.0 110.424 -179.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.706 ' HZ3' ' NE2' ' A' ' 38' ' ' GLN . 1.1 tptp -53.54 -36.93 62.35 Favored 'General case' 0 N--CA 1.439 -1.025 0 C-N-CA 117.458 -1.697 . . . . 0.0 107.718 177.433 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.413 ' O ' ' CG2' ' A' ' 39' ' ' THR . 97.0 mt-10 -74.63 -42.84 57.87 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 178.697 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.488 ' HB2' ' CG ' ' A' ' 18' ' ' HIS . 3.3 tt -63.21 -45.66 90.63 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 118.599 -1.24 . . . . 0.0 111.057 -177.642 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.588 ' O ' ' O ' ' A' ' 41' ' ' LEU . 1.3 mm? -61.71 -43.54 98.66 Favored 'General case' 0 CA--C 1.515 -0.401 0 C-N-CA 118.694 -1.202 . . . . 0.0 110.997 -179.024 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.706 ' NE2' ' HZ3' ' A' ' 34' ' ' LYS . 96.0 mt-30 -62.89 -37.65 87.77 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.16 -0.616 . . . . 0.0 111.088 178.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.413 ' CG2' ' O ' ' A' ' 35' ' ' GLU . 72.6 p -71.02 -34.03 70.93 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 120.648 -0.421 . . . . 0.0 112.032 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -102.51 -59.0 1.77 Allowed 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 113.048 0.758 . . . . 0.0 113.048 -179.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.588 ' O ' ' O ' ' A' ' 37' ' ' LEU . 31.3 mt -98.29 142.53 29.83 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.358 0.599 . . . . 0.0 111.163 -178.702 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.549 ' OG ' ' N ' ' A' ' 43' ' ' GLY . 83.0 p -110.8 -77.02 0.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.146 179.78 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.549 ' N ' ' OG ' ' A' ' 42' ' ' SER . . . -56.63 -35.73 68.4 Favored Glycine 0 CA--C 1.53 1.028 0 CA-C-N 115.691 -0.686 . . . . 0.0 113.899 -178.413 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -61.25 -59.09 5.84 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 118.144 0.972 . . . . 0.0 112.731 -177.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.96 -39.47 69.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.544 0.688 . . . . 0.0 109.789 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.437 ' CB ' ' O ' ' A' ' 42' ' ' SER . 59.2 t0 -62.45 -27.13 68.9 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.923 179.067 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.21 -26.54 18.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.203 -0.453 . . . . 0.0 112.028 -176.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 91.5 mm-40 -85.72 117.34 24.54 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 119.334 -0.946 . . . . 0.0 109.765 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -63.01 -35.81 81.47 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 113.715 1.005 . . . . 0.0 113.715 -179.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -69.36 142.33 54.0 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 -177.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.3 m -74.04 -27.72 22.63 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.123 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.67 178.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -80.7 2.79 24.5 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 115.333 -0.849 . . . . 0.0 109.325 179.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.93 -37.61 71.73 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.197 -0.91 . . . . 0.0 109.741 -179.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.468 ' CG1' ' N ' ' A' ' 55' ' ' ASP . 10.6 p -60.85 -42.86 94.13 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 C-N-CA 119.718 -0.793 . . . . 0.0 110.293 178.557 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.468 ' N ' ' CG1' ' A' ' 54' ' ' VAL . 87.0 m-20 -60.41 -44.31 95.86 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 120.009 -0.676 . . . . 0.0 109.189 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 69.3 mttm -63.8 -39.43 94.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.473 179.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 67.9 t -65.41 -46.87 88.87 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.206 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 -177.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.7 ppp? -67.0 -34.22 77.28 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 113.693 0.997 . . . . 0.0 113.693 -178.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 36.3 mmtt -60.51 -40.45 91.49 Favored 'General case' 0 N--CA 1.465 0.275 0 C-N-CA 119.27 -0.972 . . . . 0.0 111.07 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -64.56 -40.45 95.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.211 0.529 . . . . 0.0 110.804 179.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 63' ' ' GLU . 79.6 mt -68.31 -34.68 76.57 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.379 -0.828 . . . . 0.0 112.399 -179.325 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -69.94 72.01 0.39 Allowed 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 118.525 -1.27 . . . . 0.0 110.288 -178.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 61' ' ' LEU . 87.6 tt0 -63.78 -38.4 90.96 Favored 'General case' 0 CA--C 1.498 -1.034 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 176.211 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.46 ' OD1' ' CG ' ' A' ' 66' ' ' ASP . 18.8 t-20 -58.21 -39.79 79.96 Favored 'General case' 0 C--N 1.304 -1.389 0 CA-C-N 111.618 -2.537 . . . . 0.0 111.371 178.431 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.8 18.6 69.87 Favored Glycine 0 CA--C 1.53 1.028 0 C-N-CA 121.452 -0.404 . . . . 0.0 112.949 178.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.501 ' O ' ' OE1' ' A' ' 68' ' ' GLU . 57.0 p30 -89.4 2.48 54.39 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 117.646 0.723 . . . . 0.0 112.489 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 88.71 -4.28 85.01 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.582 -1.007 . . . . 0.0 110.582 178.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.501 ' OE1' ' O ' ' A' ' 66' ' ' ASP . 53.9 mp0 -122.62 160.06 26.54 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.239 0.543 . . . . 0.0 110.868 179.594 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 74.5 t -104.14 129.68 56.02 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.632 0 N-CA-C 106.621 -1.622 . . . . 0.0 106.621 176.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.499 ' C ' ' OD1' ' A' ' 70' ' ' ASP . 21.6 p30 -103.44 173.32 6.36 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 120.031 -0.668 . . . . 0.0 111.155 -177.157 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -53.78 -45.66 70.74 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.156 -179.112 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -62.23 -40.81 97.37 Favored 'General case' 0 C--O 1.243 0.757 0 C-N-CA 120.248 -0.581 . . . . 0.0 111.682 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.442 ' OE1' ' O ' ' A' ' 61' ' ' LEU . 72.1 mt-10 -64.64 -42.01 95.75 Favored 'General case' 0 C--O 1.242 0.697 0 CA-C-O 122.329 1.062 . . . . 0.0 109.525 179.61 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.409 ' CE1' HD11 ' A' ' 36' ' ' LEU . 68.8 t80 -63.08 -41.3 99.38 Favored 'General case' 0 C--O 1.241 0.613 0 CA-C-N 114.404 -1.271 . . . . 0.0 110.169 178.537 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -60.64 -47.59 92.3 Favored 'Isoleucine or valine' 0 C--O 1.246 0.902 0 CA-C-N 113.652 -1.613 . . . . 0.0 110.086 -178.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 15.5 m -67.28 -35.21 73.25 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.512 0 C-N-CA 117.848 -1.541 . . . . 0.0 109.314 178.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 28.8 tp -56.2 -51.56 67.62 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 118.965 -1.094 . . . . 0.0 111.727 178.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.5 ' O ' ' OG1' ' A' ' 82' ' ' THR . 33.9 m -68.9 -35.89 71.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 C-N-CA 118.487 -1.285 . . . . 0.0 111.894 -178.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.45 -48.65 63.99 Favored 'General case' 0 C--O 1.249 1.051 0 C-N-CA 119.028 -1.069 . . . . 0.0 111.889 -179.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.14 -40.18 96.82 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.111 -0.699 . . . . 0.0 109.111 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.423 HD13 ' N ' ' A' ' 81' ' ' LEU . 10.2 mp -65.09 -34.45 78.45 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 119.354 -0.939 . . . . 0.0 109.871 176.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.5 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 37.5 m -63.33 -50.54 69.63 Favored 'General case' 0 C--O 1.248 1.0 0 C-N-CA 119.772 -0.771 . . . . 0.0 111.382 179.751 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.8 p -63.55 -39.15 84.28 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 C-N-CA 119.13 -1.028 . . . . 0.0 110.75 178.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.484 ' O ' ' CD2' ' A' ' 88' ' ' PHE . . . -65.02 -34.78 79.24 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 120.296 -0.562 . . . . 0.0 109.85 178.703 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 42.1 t -62.35 -54.75 35.91 Favored 'General case' 0 CA--C 1.506 -0.744 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.366 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.403 HD21 HG22 ' B' ' 12' ' ' ILE . 19.3 t-20 -56.38 -40.25 74.3 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 118.717 -1.193 . . . . 0.0 109.178 179.079 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -59.18 -40.61 86.19 Favored 'General case' 0 CA--C 1.527 0.079 0 C-N-CA 120.34 -0.544 . . . . 0.0 111.004 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.529 ' O ' ' O ' ' A' ' 91' ' ' GLU . 63.2 m-85 -68.19 -40.76 82.14 Favored 'General case' 0 CA--C 1.523 -0.095 0 C-N-CA 120.054 -0.658 . . . . 0.0 111.507 178.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -63.38 -53.45 52.32 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 119.729 -0.788 . . . . 0.0 111.408 -179.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.604 ' CZ3' ' OH ' ' B' ' 26' ' ' TYR . 28.9 t-105 -67.16 -40.24 86.61 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 121.011 0.434 . . . . 0.0 112.134 178.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.529 ' O ' ' O ' ' A' ' 88' ' ' PHE . 2.9 tm-20 . . . . . 0 C--N 1.324 -0.506 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.564 -177.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 55.6 mp0 . . . . . 0 C--O 1.241 0.651 0 CA-C-O 120.777 0.322 . . . . 0.0 111.843 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 5.7 tt -60.32 -40.07 89.3 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 -179.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.48 -37.5 87.74 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.013 178.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 44.8 m -59.06 -41.8 88.8 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.72 -45.02 88.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.503 -0.772 . . . . 0.0 110.54 179.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 99.3 mtp -59.82 -41.21 90.79 Favored 'General case' 0 C--O 1.248 1.022 0 CA-C-O 121.609 0.718 . . . . 0.0 109.706 179.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -64.87 -36.36 84.11 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.773 177.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 40.6 m -62.93 -43.51 98.59 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 119.575 -0.85 . . . . 0.0 110.314 179.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 42.9 mt -61.66 -42.34 98.78 Favored 'General case' 0 C--O 1.243 0.738 0 C-N-CA 119.316 -0.953 . . . . 0.0 108.866 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.403 HG22 HD21 ' A' ' 86' ' ' ASN . 99.5 mt -61.81 -46.86 95.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 C-N-CA 119.624 -0.83 . . . . 0.0 110.836 178.639 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -61.87 -40.78 96.56 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.918 0.71 . . . . 0.0 112.918 -179.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 13.9 m -72.9 -39.74 59.02 Favored 'Isoleucine or valine' 0 C--O 1.247 0.921 0 C-N-CA 118.746 -1.182 . . . . 0.0 111.007 -179.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -60.99 -48.14 83.21 Favored 'General case' 0 C--N 1.343 0.288 0 C-N-CA 118.506 -1.277 . . . . 0.0 110.204 177.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -62.97 -36.25 82.87 Favored 'General case' 0 CA--C 1.505 -0.782 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.066 178.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.541 ' O ' ' HB2' ' B' ' 21' ' ' LYS . . . -55.2 -50.69 68.73 Favored 'General case' 0 CA--C 1.494 -1.194 0 C-N-CA 118.822 -1.151 . . . . 0.0 108.666 -179.354 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.672 ' NE2' ' O ' ' B' ' 32' ' ' GLU . 14.0 t-80 -76.64 -55.52 5.43 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 116.166 1.913 . . . . 0.0 116.166 -177.743 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.427 ' OG ' ' O ' ' B' ' 25' ' ' LYS . 23.1 t -58.96 -41.22 86.97 Favored 'General case' 0 CA--C 1.512 -0.511 0 C-N-CA 118.91 -1.116 . . . . 0.0 107.999 -179.152 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.54 -43.44 94.61 Favored Glycine 0 C--N 1.347 1.187 0 O-C-N 124.814 1.321 . . . . 0.0 111.189 178.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . 0.541 ' HB2' ' O ' ' B' ' 17' ' ' ALA . 5.4 ttpm? -60.05 -44.14 94.9 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 -178.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -131.88 141.87 49.51 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 -177.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 63.79 -131.49 40.26 Favored Glycine 0 CA--C 1.524 0.641 0 CA-C-N 115.148 -0.933 . . . . 0.0 112.948 177.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -79.27 125.11 29.06 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.043 -0.578 . . . . 0.0 110.272 -179.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.427 ' O ' ' OG ' ' B' ' 19' ' ' SER . 35.3 mtmt -58.56 -32.32 68.8 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.307 -0.86 . . . . 0.0 112.922 -177.589 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.604 ' OH ' ' CZ3' ' A' ' 90' ' ' TRP . 97.3 m-85 -107.96 19.7 19.69 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 -178.117 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.424 ' NZ ' ' OD2' ' B' ' 66' ' ' ASP . 34.9 tptt -143.21 145.66 32.97 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 119.064 -1.054 . . . . 0.0 109.444 179.176 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.586 HD12 ' HD1' ' B' ' 18' ' ' HIS . 5.7 tp -112.32 128.9 56.41 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 119.967 -0.693 . . . . 0.0 110.036 -177.598 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 23.5 t -103.69 156.93 17.42 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 5.3 ttpm? -53.77 -47.19 70.98 Favored 'General case' 0 C--O 1.245 0.848 0 CA-C-O 121.392 0.615 . . . . 0.0 111.912 -177.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.598 ' CG ' ' N ' ' B' ' 32' ' ' GLU . 54.8 pttt -59.42 -47.55 85.04 Favored 'General case' 0 N--CA 1.441 -0.912 0 C-N-CA 119.893 -0.723 . . . . 0.0 109.434 -178.75 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.672 ' O ' ' NE2' ' B' ' 18' ' ' HIS . 94.8 mt-10 -62.66 -48.8 77.74 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 115.042 -0.981 . . . . 0.0 112.166 -178.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.8 pp -62.23 -33.48 74.67 Favored 'General case' 0 CA--C 1.499 -1.006 0 C-N-CA 118.513 -1.275 . . . . 0.0 110.386 -179.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.71 ' HZ3' ' NE2' ' B' ' 38' ' ' GLN . 1.1 tptp -53.52 -37.0 62.38 Favored 'General case' 0 N--CA 1.439 -0.995 0 C-N-CA 117.466 -1.694 . . . . 0.0 107.636 177.524 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . 0.404 ' O ' ' CG2' ' B' ' 39' ' ' THR . 97.1 mt-10 -74.66 -42.85 57.74 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 178.71 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.495 ' HB2' ' CG ' ' B' ' 18' ' ' HIS . 3.8 tt -62.99 -45.84 90.5 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 118.681 -1.207 . . . . 0.0 110.889 -177.549 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.586 ' O ' ' O ' ' B' ' 41' ' ' LEU . 1.3 mm? -61.74 -43.61 98.53 Favored 'General case' 0 CA--C 1.514 -0.42 0 C-N-CA 118.787 -1.165 . . . . 0.0 111.073 -178.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.71 ' NE2' ' HZ3' ' B' ' 34' ' ' LYS . 96.1 mt-30 -62.83 -37.7 87.84 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.118 -0.633 . . . . 0.0 111.031 178.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.404 ' CG2' ' O ' ' B' ' 35' ' ' GLU . 72.9 p -70.89 -34.04 71.17 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 120.648 -0.421 . . . . 0.0 112.038 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -102.59 -58.98 1.78 Allowed 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 113.032 0.752 . . . . 0.0 113.032 -179.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.586 ' O ' ' O ' ' B' ' 37' ' ' LEU . 31.4 mt -98.24 142.59 29.71 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.321 0.581 . . . . 0.0 111.133 -178.73 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.547 ' OG ' ' N ' ' B' ' 43' ' ' GLY . 82.9 p -110.89 -76.98 0.59 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.199 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . 0.547 ' N ' ' OG ' ' B' ' 42' ' ' SER . . . -56.74 -35.61 68.4 Favored Glycine 0 CA--C 1.529 0.958 0 CA-C-N 115.683 -0.69 . . . . 0.0 113.923 -178.402 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -61.28 -59.09 5.83 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 118.144 0.972 . . . . 0.0 112.649 -177.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.02 -39.49 69.14 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 121.5 0.667 . . . . 0.0 109.706 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.448 ' CB ' ' O ' ' B' ' 42' ' ' SER . 59.1 t0 -62.4 -27.14 68.88 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 114.885 -1.052 . . . . 0.0 111.945 179.078 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.21 -26.59 18.13 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.164 -0.471 . . . . 0.0 112.024 -176.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -85.7 117.4 24.56 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 119.296 -0.962 . . . . 0.0 109.717 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -62.96 -35.88 81.62 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 -179.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -69.36 142.33 53.99 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -177.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 4.4 m -74.13 -27.63 22.28 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.136 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.625 178.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -80.71 2.78 24.58 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.354 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.89 -37.51 71.48 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 115.142 -0.935 . . . . 0.0 109.848 -179.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.465 ' CG1' ' N ' ' B' ' 55' ' ' ASP . 10.5 p -60.91 -42.88 94.41 Favored 'Isoleucine or valine' 0 C--O 1.242 0.664 0 C-N-CA 119.799 -0.761 . . . . 0.0 110.31 178.485 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.465 ' N ' ' CG1' ' B' ' 54' ' ' VAL . 86.8 m-20 -60.44 -44.3 95.95 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 120.009 -0.676 . . . . 0.0 109.218 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 69.3 mttm -63.77 -39.45 94.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.487 179.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 67.6 t -65.34 -47.05 88.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 -177.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 1.6 ppp? -66.98 -34.17 77.16 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 -178.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 36.3 mmtt -60.63 -40.41 91.86 Favored 'General case' 0 N--CA 1.463 0.184 0 C-N-CA 119.281 -0.968 . . . . 0.0 111.095 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -64.59 -40.41 95.48 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.728 179.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' B' ' 63' ' ' GLU . 79.6 mt -68.29 -34.7 76.63 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.476 -0.784 . . . . 0.0 112.41 -179.325 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -69.99 72.05 0.4 Allowed 'General case' 0 N--CA 1.446 -0.647 0 C-N-CA 118.51 -1.276 . . . . 0.0 110.327 -178.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' B' ' 61' ' ' LEU . 87.6 tt0 -63.7 -38.47 91.25 Favored 'General case' 0 CA--C 1.498 -1.038 0 CA-C-O 123.104 1.431 . . . . 0.0 107.155 176.18 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.464 ' OD1' ' CG ' ' B' ' 66' ' ' ASP . 18.8 t-20 -58.21 -39.74 79.8 Favored 'General case' 0 N--CA 1.43 -1.426 0 CA-C-N 111.605 -2.543 . . . . 0.0 111.41 178.465 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.8 18.49 70.14 Favored Glycine 0 CA--C 1.531 1.056 0 C-N-CA 121.362 -0.446 . . . . 0.0 112.964 178.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.5 ' O ' ' OE1' ' B' ' 68' ' ' GLU . 57.3 p30 -89.28 2.46 54.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 117.652 0.726 . . . . 0.0 112.503 -179.704 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 88.72 -4.35 85.0 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.558 -1.017 . . . . 0.0 110.558 178.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.5 ' OE1' ' O ' ' B' ' 66' ' ' ASP . 53.9 mp0 -122.51 160.07 26.38 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-O 121.212 0.529 . . . . 0.0 110.945 179.554 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 73.8 t -104.07 129.85 55.64 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.591 0 N-CA-C 106.702 -1.592 . . . . 0.0 106.702 176.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.487 ' C ' ' OD1' ' B' ' 70' ' ' ASP . 21.1 p30 -103.76 173.14 6.43 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 120.083 -0.647 . . . . 0.0 111.274 -177.213 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -53.64 -45.59 70.24 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.205 -179.022 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -62.41 -40.72 97.43 Favored 'General case' 0 C--O 1.243 0.732 0 C-N-CA 120.164 -0.614 . . . . 0.0 111.639 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.445 ' OE1' ' O ' ' B' ' 61' ' ' LEU . 72.3 mt-10 -64.67 -41.96 95.72 Favored 'General case' 0 C--O 1.241 0.646 0 CA-C-O 122.322 1.058 . . . . 0.0 109.551 179.573 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . 0.402 ' CE1' HD11 ' B' ' 36' ' ' LEU . 68.8 t80 -63.16 -41.21 99.21 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-N 114.375 -1.284 . . . . 0.0 110.145 178.534 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -60.77 -47.53 92.78 Favored 'Isoleucine or valine' 0 C--O 1.246 0.881 0 CA-C-N 113.666 -1.606 . . . . 0.0 110.126 -178.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 15.5 m -67.34 -35.24 73.16 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 C-N-CA 117.886 -1.526 . . . . 0.0 109.244 178.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 28.3 tp -56.16 -51.52 67.7 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 118.919 -1.112 . . . . 0.0 111.772 178.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.494 ' O ' ' OG1' ' B' ' 82' ' ' THR . 33.9 m -68.93 -35.79 70.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 C-N-CA 118.396 -1.322 . . . . 0.0 111.905 -178.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.55 -48.58 63.92 Favored 'General case' 0 C--O 1.249 1.035 0 C-N-CA 119.015 -1.074 . . . . 0.0 111.872 -179.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.18 -40.09 96.53 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.411 ' N ' HD13 ' B' ' 81' ' ' LEU . 10.1 mp -65.01 -34.6 78.82 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 119.358 -0.937 . . . . 0.0 109.861 176.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.494 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 38.5 m -63.3 -50.48 69.93 Favored 'General case' 0 C--O 1.248 0.998 0 C-N-CA 119.752 -0.779 . . . . 0.0 111.342 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 13.9 p -63.58 -39.2 84.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 119.138 -1.025 . . . . 0.0 110.74 178.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . 0.484 ' O ' ' CD2' ' B' ' 88' ' ' PHE . . . -65.03 -34.73 79.13 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 120.282 -0.567 . . . . 0.0 109.793 178.71 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 42.1 t -62.37 -54.64 37.43 Favored 'General case' 0 CA--C 1.505 -0.776 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.432 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -56.48 -40.27 74.63 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 118.733 -1.187 . . . . 0.0 109.135 179.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -59.23 -40.55 86.23 Favored 'General case' 0 C--O 1.231 0.098 0 C-N-CA 120.283 -0.567 . . . . 0.0 111.033 179.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.54 ' O ' ' O ' ' B' ' 91' ' ' GLU . 63.3 m-85 -68.13 -40.81 82.37 Favored 'General case' 0 CA--C 1.523 -0.093 0 C-N-CA 120.106 -0.638 . . . . 0.0 111.478 178.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -63.42 -53.38 53.28 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 119.71 -0.796 . . . . 0.0 111.381 -178.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 90' ' ' TRP . . . . . 0.607 ' CH2' ' OH ' ' A' ' 26' ' ' TYR . 28.7 t-105 -67.19 -40.27 86.51 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-O 120.987 0.422 . . . . 0.0 112.122 178.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . 0.54 ' O ' ' O ' ' B' ' 88' ' ' PHE . 2.9 tm-20 . . . . . 0 C--N 1.323 -0.545 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.622 -177.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 . . . . . 0 N--CA 1.462 0.166 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.6 tt -65.76 -42.04 91.36 Favored 'General case' 0 C--O 1.242 0.681 0 C-N-CA 118.127 -1.429 . . . . 0.0 108.061 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.443 ' C ' ' OE1' ' A' ' 5' ' ' GLU . 6.1 tm-20 -63.9 -40.05 95.59 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 114.342 -1.299 . . . . 0.0 109.277 179.52 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 43.4 m -60.23 -40.36 89.92 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.463 178.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.73 -44.76 92.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.081 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 98.4 mtp -59.52 -41.19 89.4 Favored 'General case' 0 C--O 1.248 1.019 0 CA-C-O 121.736 0.779 . . . . 0.0 109.453 179.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -64.75 -35.68 81.85 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.139 178.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 54.3 m -64.42 -43.07 95.54 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 119.744 -0.782 . . . . 0.0 110.257 179.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 36.8 mt -62.07 -42.29 99.05 Favored 'General case' 0 C--O 1.242 0.699 0 C-N-CA 119.053 -1.059 . . . . 0.0 108.734 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 98.0 mt -61.72 -45.69 98.14 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 C-N-CA 119.682 -0.807 . . . . 0.0 111.216 178.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -62.02 -41.4 98.03 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 -178.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.8 m -73.36 -41.24 57.26 Favored 'Isoleucine or valine' 0 C--O 1.256 1.414 0 C-N-CA 119.267 -0.973 . . . . 0.0 111.185 -179.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -60.39 -47.57 85.49 Favored 'General case' 0 CA--C 1.512 -0.488 0 C-N-CA 119.107 -1.037 . . . . 0.0 109.84 177.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -62.7 -35.47 79.8 Favored 'General case' 0 CA--C 1.5 -0.953 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.615 178.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.501 ' O ' ' HB2' ' A' ' 21' ' ' LYS . . . -57.4 -51.36 69.73 Favored 'General case' 0 N--CA 1.435 -1.223 0 C-N-CA 118.753 -1.179 . . . . 0.0 109.599 -179.128 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.446 ' ND1' ' HG ' ' A' ' 36' ' ' LEU . 33.8 m80 -78.39 -54.04 6.62 Favored 'General case' 0 C--O 1.245 0.861 0 N-CA-C 114.895 1.443 . . . . 0.0 114.895 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.506 ' OG ' ' O ' ' A' ' 25' ' ' LYS . 23.1 t -57.86 -41.91 83.4 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 118.393 -1.323 . . . . 0.0 108.739 -178.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.15 -43.87 92.31 Favored Glycine 0 C--N 1.342 0.914 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.722 178.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.501 ' HB2' ' O ' ' A' ' 17' ' ' ALA . 7.4 ttpm? -59.77 -42.66 93.79 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 113.302 0.853 . . . . 0.0 113.302 -179.004 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.529 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 84.8 tt0 -129.72 142.76 50.65 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 -177.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.49 -130.1 49.74 Favored Glycine 0 CA--C 1.523 0.564 0 CA-C-N 115.209 -0.905 . . . . 0.0 113.406 177.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -79.27 124.99 28.9 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 114.868 -0.666 . . . . 0.0 110.119 -179.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.506 ' O ' ' OG ' ' A' ' 19' ' ' SER . 34.4 mtmt -58.36 -31.27 67.45 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.212 -0.904 . . . . 0.0 112.842 -177.563 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.621 ' OH ' ' CD2' ' B' ' 90' ' ' TRP . 93.2 m-85 -105.93 18.31 22.3 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 -177.496 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.3 tptt -140.45 139.44 35.2 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 119.662 -0.815 . . . . 0.0 109.236 178.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.9 tp -108.67 128.37 54.8 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.371 -177.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 95.1 p -103.35 165.55 10.96 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.016 -179.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -53.2 -46.83 69.18 Favored 'General case' 0 C--O 1.24 0.568 0 CA-C-O 120.936 0.398 . . . . 0.0 111.936 -178.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 32' ' ' GLU . 14.8 ptpt -60.69 -39.56 88.91 Favored 'General case' 0 N--CA 1.439 -1.011 0 C-N-CA 119.576 -0.849 . . . . 0.0 109.7 -178.729 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.529 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 96.9 mt-10 -68.2 -52.46 34.02 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 119.679 -0.808 . . . . 0.0 112.275 -179.493 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.78 -36.34 74.25 Favored 'General case' 0 CA--C 1.503 -0.843 0 C-N-CA 118.316 -1.353 . . . . 0.0 110.074 -179.517 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.715 ' NZ ' HE22 ' A' ' 38' ' ' GLN . 0.3 OUTLIER -55.76 -37.69 68.85 Favored 'General case' 0 N--CA 1.435 -1.216 0 C-N-CA 117.87 -1.532 . . . . 0.0 108.425 179.725 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.471 ' O ' ' CG2' ' A' ' 39' ' ' THR . 97.3 mt-10 -76.2 -41.17 50.36 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 178.763 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.446 ' HG ' ' ND1' ' A' ' 18' ' ' HIS . 3.4 tt -66.88 -46.3 75.39 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 120.256 -0.578 . . . . 0.0 112.129 -176.544 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.563 ' CD2' ' N ' ' A' ' 37' ' ' LEU . 1.2 mm? -64.79 -43.11 94.27 Favored 'General case' 0 CA--C 1.518 -0.252 0 C-N-CA 118.798 -1.161 . . . . 0.0 110.867 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.715 HE22 ' NZ ' ' A' ' 34' ' ' LYS . 95.5 mt-30 -64.42 -40.04 94.99 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.6 -0.44 . . . . 0.0 112.132 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.471 ' CG2' ' O ' ' A' ' 35' ' ' GLU . 62.5 p -72.39 -38.21 68.52 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 120.292 -0.563 . . . . 0.0 112.292 -179.231 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -92.65 -55.28 3.44 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 113.042 0.756 . . . . 0.0 113.042 -179.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.555 ' O ' ' O ' ' A' ' 37' ' ' LEU . 53.6 mt -101.47 142.85 32.23 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.255 0.55 . . . . 0.0 111.433 -179.011 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.4 t -112.91 -62.1 1.64 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.531 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.63 -38.84 92.44 Favored Glycine 0 CA--C 1.533 1.163 0 CA-C-N 116.079 -0.51 . . . . 0.0 114.346 -178.006 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -61.8 -53.29 57.95 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 118.117 0.959 . . . . 0.0 112.694 -177.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -73.08 -37.59 66.73 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 120.32 -0.552 . . . . 0.0 111.533 178.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 58.3 t0 -59.26 -30.34 68.21 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.962 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.8 -32.08 63.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.785 -177.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -96.78 116.93 29.98 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 119.32 -0.952 . . . . 0.0 109.268 179.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -63.79 -37.47 87.47 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 114.244 1.201 . . . . 0.0 114.244 -178.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -72.43 142.59 48.65 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -177.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.9 m -72.26 -28.27 28.64 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 177.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -60.74 -24.41 65.7 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 114.298 -1.319 . . . . 0.0 108.912 178.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.85 -35.47 44.82 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.672 -1.149 . . . . 0.0 110.764 -178.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.544 ' CG1' ' N ' ' A' ' 55' ' ' ASP . 7.3 p -58.85 -44.84 91.46 Favored 'Isoleucine or valine' 0 C--O 1.236 0.393 0 C-N-CA 119.259 -0.977 . . . . 0.0 109.567 178.681 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.544 ' N ' ' CG1' ' A' ' 54' ' ' VAL . 92.4 m-20 -62.98 -42.07 99.73 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.923 178.614 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -59.67 -39.48 84.61 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.019 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 72.0 t -65.35 -44.92 94.59 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 C-N-CA 120.412 -0.515 . . . . 0.0 110.397 179.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -71.14 -33.05 69.7 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 114.473 1.286 . . . . 0.0 114.473 -178.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.3 mtmm -58.21 -40.91 82.83 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 119.704 -0.798 . . . . 0.0 113.006 -177.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -71.25 -34.74 71.01 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 119.667 -0.813 . . . . 0.0 110.186 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.449 ' O ' ' CD ' ' A' ' 73' ' ' GLU . 88.1 mt -67.49 -34.71 77.7 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-N 115.508 -0.769 . . . . 0.0 112.291 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.483 ' OD1' ' OD1' ' A' ' 66' ' ' ASP . 49.2 t0 -72.08 84.65 1.0 Allowed 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 118.561 -1.255 . . . . 0.0 111.279 -177.566 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -63.51 -47.41 81.78 Favored 'General case' 0 CA--C 1.505 -0.766 0 CA-C-O 122.52 1.152 . . . . 0.0 110.738 176.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 31.9 m120 -59.33 -35.48 73.92 Favored 'General case' 0 C--N 1.3 -1.559 0 CA-C-N 112.656 -2.065 . . . . 0.0 111.336 -179.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.78 17.32 70.66 Favored Glycine 0 CA--C 1.521 0.408 0 N-CA-C 108.429 -1.869 . . . . 0.0 108.429 -177.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.525 ' O ' ' OE1' ' A' ' 68' ' ' GLU . 24.5 p-10 -86.49 0.97 53.12 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 -178.414 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 82.62 2.45 90.63 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 178.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.525 ' OE1' ' O ' ' A' ' 66' ' ' ASP . 53.0 mp0 -120.0 156.69 30.38 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-O 121.513 0.673 . . . . 0.0 112.083 179.719 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 45.5 t -106.63 131.51 56.25 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.497 0 N-CA-C 107.216 -1.402 . . . . 0.0 107.216 176.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.546 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 51.3 t0 -101.28 160.82 14.09 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.088 0.47 . . . . 0.0 111.325 -178.169 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.546 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 1.0 OUTLIER -50.3 -44.48 54.07 Favored 'General case' 0 C--O 1.218 -0.594 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.451 -178.393 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -62.22 -40.62 96.74 Favored 'General case' 0 C--O 1.245 0.861 0 C-N-CA 119.898 -0.721 . . . . 0.0 111.011 178.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.449 ' CD ' ' O ' ' A' ' 61' ' ' LEU . 86.5 mt-10 -64.4 -42.21 96.21 Favored 'General case' 0 C--O 1.241 0.643 0 CA-C-O 122.375 1.084 . . . . 0.0 109.531 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -63.32 -41.36 98.91 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-N 114.352 -1.295 . . . . 0.0 110.222 178.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -60.28 -48.08 89.66 Favored 'Isoleucine or valine' 0 C--O 1.248 0.977 0 CA-C-N 113.684 -1.598 . . . . 0.0 109.816 -178.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 15.8 m -67.33 -34.49 69.25 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.557 0 C-N-CA 117.911 -1.515 . . . . 0.0 109.366 178.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 24.8 tp -57.29 -50.78 71.84 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 118.903 -1.119 . . . . 0.0 111.651 178.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.497 ' O ' ' OG1' ' A' ' 82' ' ' THR . 33.5 m -69.43 -35.85 68.89 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.286 0 C-N-CA 118.718 -1.193 . . . . 0.0 111.678 -179.122 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.57 -48.97 62.86 Favored 'General case' 0 C--O 1.25 1.084 0 C-N-CA 118.987 -1.085 . . . . 0.0 111.765 -179.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.09 -39.36 94.49 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.037 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.1 mp -65.7 -34.33 77.95 Favored 'General case' 0 C--O 1.219 -0.533 0 C-N-CA 119.299 -0.96 . . . . 0.0 109.84 176.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.497 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 38.2 m -63.36 -50.21 70.85 Favored 'General case' 0 C--O 1.248 0.976 0 C-N-CA 119.723 -0.791 . . . . 0.0 111.399 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.478 ' O ' ' OD1' ' A' ' 87' ' ' ASN . 12.9 p -63.88 -39.22 84.62 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 119.127 -1.029 . . . . 0.0 110.64 178.787 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.78 -30.12 70.71 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-O 121.092 0.472 . . . . 0.0 109.904 178.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 34.1 t -68.36 -55.29 12.54 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 115.514 -0.767 . . . . 0.0 109.748 -179.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -56.66 -40.23 75.12 Favored 'General case' 0 C--O 1.24 0.586 0 C-N-CA 118.262 -1.375 . . . . 0.0 108.496 178.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.673 ' O ' ' HB2' ' A' ' 91' ' ' GLU . 23.9 m120 -58.86 -40.37 84.11 Favored 'General case' 0 C--O 1.2 -1.509 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 177.614 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.56 ' O ' ' O ' ' A' ' 91' ' ' GLU . 68.4 t80 -63.56 -40.58 97.36 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 118.31 -1.356 . . . . 0.0 110.502 178.742 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -64.23 -60.76 2.81 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 120.026 -0.67 . . . . 0.0 112.294 -178.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.62 ' CD2' ' OH ' ' B' ' 26' ' ' TYR . 20.3 t-105 -69.03 -43.98 73.63 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 119.748 -0.781 . . . . 0.0 111.449 179.058 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.673 ' HB2' ' O ' ' A' ' 87' ' ' ASN . 93.8 mt-10 . . . . . 0 C--N 1.318 -0.777 0 CA-C-N 114.306 -1.315 . . . . 0.0 111.663 -179.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 . . . . . 0 C--O 1.233 0.228 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 5.6 tt -65.65 -42.13 91.75 Favored 'General case' 0 C--O 1.241 0.629 0 C-N-CA 118.166 -1.413 . . . . 0.0 108.046 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . 0.448 ' OE1' ' C ' ' B' ' 5' ' ' GLU . 6.1 tm-20 -63.93 -39.99 95.42 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 114.274 -1.33 . . . . 0.0 109.231 179.616 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 44.2 m -60.3 -40.24 89.82 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.439 178.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.81 -44.75 92.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.059 179.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 98.3 mtp -59.6 -41.16 89.69 Favored 'General case' 0 C--O 1.248 1.016 0 CA-C-O 121.76 0.79 . . . . 0.0 109.529 179.114 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -64.62 -36.52 84.53 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.004 178.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 50.7 m -63.48 -43.44 97.28 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 119.852 -0.739 . . . . 0.0 110.387 179.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 41.3 mt -61.98 -42.29 98.98 Favored 'General case' 0 C--O 1.242 0.667 0 C-N-CA 119.163 -1.015 . . . . 0.0 108.727 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.458 HG21 HD12 ' B' ' 12' ' ' ILE . 98.0 mt -61.54 -45.8 97.89 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 C-N-CA 119.681 -0.808 . . . . 0.0 111.284 178.467 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -62.01 -41.37 98.0 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.956 0.724 . . . . 0.0 112.956 -178.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 15.0 m -73.41 -41.22 56.92 Favored 'Isoleucine or valine' 0 C--O 1.256 1.396 0 C-N-CA 119.261 -0.975 . . . . 0.0 111.143 -179.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -60.4 -47.58 85.49 Favored 'General case' 0 CA--C 1.513 -0.48 0 C-N-CA 119.074 -1.05 . . . . 0.0 109.856 177.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -62.74 -35.35 79.48 Favored 'General case' 0 CA--C 1.501 -0.934 0 CA-C-N 115.219 -0.9 . . . . 0.0 109.582 178.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.502 ' O ' ' HB2' ' B' ' 21' ' ' LYS . . . -57.48 -51.32 69.91 Favored 'General case' 0 N--CA 1.436 -1.133 0 C-N-CA 118.72 -1.192 . . . . 0.0 109.562 -179.148 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.451 ' ND1' ' HG ' ' B' ' 36' ' ' LEU . 33.7 m80 -78.32 -54.12 6.55 Favored 'General case' 0 C--O 1.245 0.833 0 N-CA-C 114.881 1.437 . . . . 0.0 114.881 -179.677 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.493 ' OG ' ' O ' ' B' ' 25' ' ' LYS . 23.1 t -57.82 -42.01 83.43 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 118.389 -1.324 . . . . 0.0 108.739 -178.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.14 -43.88 92.31 Favored Glycine 0 C--N 1.343 0.968 0 CA-C-N 115.185 -0.916 . . . . 0.0 111.666 178.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . 0.502 ' HB2' ' O ' ' B' ' 17' ' ' ALA . 7.4 ttpm? -59.68 -42.77 93.65 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 -179.002 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.532 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 84.7 tt0 -129.68 142.82 50.65 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 113.981 1.104 . . . . 0.0 113.981 -177.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.48 -130.19 49.9 Favored Glycine 0 CA--C 1.523 0.567 0 CA-C-N 115.222 -0.899 . . . . 0.0 113.364 177.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -79.18 124.99 28.86 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 114.894 -0.653 . . . . 0.0 110.082 -179.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.493 ' O ' ' OG ' ' B' ' 19' ' ' SER . 34.5 mtmt -58.34 -31.25 67.4 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.139 -0.937 . . . . 0.0 112.863 -177.636 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.62 ' OH ' ' CD2' ' A' ' 90' ' ' TRP . 93.2 m-85 -105.87 18.28 22.36 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 -177.525 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 35.7 tptt -140.39 139.55 35.34 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 119.599 -0.84 . . . . 0.0 109.343 178.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 18.0 tp -108.84 128.36 54.83 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.289 -177.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 94.3 p -103.33 165.63 10.91 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.935 -179.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -53.2 -46.87 69.21 Favored 'General case' 0 C--O 1.241 0.612 0 CA-C-O 120.903 0.382 . . . . 0.0 111.928 -178.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' B' ' 32' ' ' GLU . 14.8 ptpt -60.65 -39.65 89.1 Favored 'General case' 0 N--CA 1.439 -1.001 0 C-N-CA 119.605 -0.838 . . . . 0.0 109.692 -178.725 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.532 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 96.9 mt-10 -68.05 -52.58 33.76 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 119.81 -0.756 . . . . 0.0 112.282 -179.548 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.74 -36.36 74.2 Favored 'General case' 0 CA--C 1.504 -0.818 0 C-N-CA 118.312 -1.355 . . . . 0.0 110.08 -179.5 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.706 ' NZ ' HE22 ' B' ' 38' ' ' GLN . 0.3 OUTLIER -55.81 -37.63 68.9 Favored 'General case' 0 N--CA 1.434 -1.23 0 C-N-CA 117.787 -1.565 . . . . 0.0 108.42 179.77 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . 0.467 ' O ' ' CG2' ' B' ' 39' ' ' THR . 97.3 mt-10 -76.16 -41.25 50.42 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 113.0 0.741 . . . . 0.0 113.0 178.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.451 ' HG ' ' ND1' ' B' ' 18' ' ' HIS . 3.5 tt -66.86 -46.29 75.48 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 120.238 -0.585 . . . . 0.0 112.075 -176.493 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.571 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 1.2 mm? -64.91 -42.98 94.26 Favored 'General case' 0 CA--C 1.52 -0.194 0 C-N-CA 118.761 -1.176 . . . . 0.0 110.878 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.706 HE22 ' NZ ' ' B' ' 34' ' ' LYS . 95.5 mt-30 -64.55 -40.0 94.79 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.485 -0.486 . . . . 0.0 112.114 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.467 ' CG2' ' O ' ' B' ' 35' ' ' GLU . 63.4 p -72.3 -38.23 68.79 Favored 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 120.364 -0.534 . . . . 0.0 112.33 -179.325 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -92.66 -55.29 3.43 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 113.041 0.756 . . . . 0.0 113.041 -179.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.556 ' O ' ' O ' ' B' ' 37' ' ' LEU . 54.4 mt -101.5 142.94 32.12 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.225 0.536 . . . . 0.0 111.383 -179.023 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 7.4 t -112.95 -62.12 1.63 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.55 179.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.59 -38.93 92.55 Favored Glycine 0 CA--C 1.532 1.151 0 CA-C-N 115.939 -0.573 . . . . 0.0 114.358 -178.075 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -61.75 -53.35 57.25 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 118.11 0.955 . . . . 0.0 112.689 -177.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -73.07 -37.52 66.77 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 120.346 -0.541 . . . . 0.0 111.5 178.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 58.3 t0 -59.36 -30.26 68.28 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.999 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.81 -32.1 63.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.796 -177.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 82.6 mm-40 -96.75 116.9 29.92 Favored 'General case' 0 C--O 1.232 0.142 0 C-N-CA 119.404 -0.919 . . . . 0.0 109.343 179.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -63.77 -37.57 87.85 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 114.192 1.182 . . . . 0.0 114.192 -178.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -72.24 142.55 48.97 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 113.237 0.828 . . . . 0.0 113.237 -177.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 4.8 m -72.26 -28.28 28.64 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.13 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 177.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -60.69 -24.45 65.64 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 114.232 -1.349 . . . . 0.0 108.933 178.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.93 -35.38 45.53 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 114.704 -1.134 . . . . 0.0 110.775 -178.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.538 ' CG1' ' N ' ' B' ' 55' ' ' ASP . 7.4 p -58.88 -44.79 91.5 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 C-N-CA 119.284 -0.966 . . . . 0.0 109.583 178.632 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.538 ' N ' ' CG1' ' B' ' 54' ' ' VAL . 92.4 m-20 -63.11 -41.93 99.47 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.911 178.655 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -59.84 -39.42 85.08 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.995 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 72.3 t -65.45 -44.78 94.23 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 C-N-CA 120.385 -0.526 . . . . 0.0 110.4 179.188 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -71.1 -33.15 69.9 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 114.561 1.319 . . . . 0.0 114.561 -179.116 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 12.4 mtmm -58.16 -40.92 82.63 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 119.631 -0.828 . . . . 0.0 113.041 -177.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -71.22 -34.75 71.11 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 119.67 -0.812 . . . . 0.0 110.178 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.455 ' O ' ' CD ' ' B' ' 73' ' ' GLU . 88.1 mt -67.5 -34.7 77.67 Favored 'General case' 0 CA--C 1.511 -0.552 0 CA-C-N 115.509 -0.769 . . . . 0.0 112.291 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.495 ' OD1' ' OD1' ' B' ' 66' ' ' ASP . 49.3 t0 -72.14 84.65 1.02 Allowed 'General case' 0 N--CA 1.445 -0.718 0 C-N-CA 118.537 -1.265 . . . . 0.0 111.301 -177.531 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -63.49 -47.42 81.81 Favored 'General case' 0 CA--C 1.506 -0.744 0 CA-C-O 122.517 1.151 . . . . 0.0 110.727 176.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 31.9 m120 -59.29 -35.58 74.01 Favored 'General case' 0 C--N 1.3 -1.552 0 CA-C-N 112.692 -2.049 . . . . 0.0 111.281 -179.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.82 17.33 70.54 Favored Glycine 0 CA--C 1.521 0.442 0 N-CA-C 108.487 -1.845 . . . . 0.0 108.487 -177.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.522 ' O ' ' OE1' ' B' ' 68' ' ' GLU . 24.4 p-10 -86.54 1.04 53.03 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 112.794 0.664 . . . . 0.0 112.794 -178.367 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 82.64 2.38 90.63 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 178.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.522 ' OE1' ' O ' ' B' ' 66' ' ' ASP . 52.8 mp0 -119.98 156.79 30.17 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-O 121.448 0.642 . . . . 0.0 112.125 179.702 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 45.1 t -106.55 131.56 56.03 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.546 0 N-CA-C 107.335 -1.357 . . . . 0.0 107.335 176.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.538 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 50.2 t0 -100.88 160.81 14.06 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.083 0.468 . . . . 0.0 111.283 -178.123 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.538 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 1.0 OUTLIER -50.44 -44.49 55.41 Favored 'General case' 0 C--O 1.218 -0.588 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.387 -178.778 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -62.28 -40.56 96.65 Favored 'General case' 0 C--O 1.244 0.778 0 C-N-CA 119.876 -0.73 . . . . 0.0 111.051 178.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.455 ' CD ' ' O ' ' B' ' 61' ' ' LEU . 86.5 mt-10 -64.44 -42.08 96.2 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-O 122.422 1.106 . . . . 0.0 109.615 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -63.49 -41.19 98.57 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-N 114.333 -1.303 . . . . 0.0 110.231 178.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -60.45 -47.88 90.74 Favored 'Isoleucine or valine' 0 C--O 1.248 0.995 0 CA-C-N 113.725 -1.579 . . . . 0.0 109.843 -178.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 15.9 m -67.54 -34.36 67.83 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 C-N-CA 117.88 -1.528 . . . . 0.0 109.343 178.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 25.1 tp -57.37 -50.76 71.94 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 118.902 -1.119 . . . . 0.0 111.627 178.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.49 ' O ' ' OG1' ' B' ' 82' ' ' THR . 33.6 m -69.38 -35.93 69.52 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.263 0 C-N-CA 118.775 -1.17 . . . . 0.0 111.664 -179.153 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.54 -49.01 62.78 Favored 'General case' 0 C--O 1.25 1.129 0 C-N-CA 118.981 -1.088 . . . . 0.0 111.759 -179.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.02 -39.3 94.34 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.115 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.405 ' N ' HD12 ' B' ' 81' ' ' LEU . 10.1 mp -65.66 -34.43 78.2 Favored 'General case' 0 C--O 1.218 -0.571 0 C-N-CA 119.31 -0.956 . . . . 0.0 109.828 176.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.49 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 37.8 m -63.21 -50.35 70.64 Favored 'General case' 0 C--O 1.246 0.911 0 C-N-CA 119.756 -0.778 . . . . 0.0 111.327 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . 0.494 ' O ' ' OD1' ' B' ' 87' ' ' ASN . 12.9 p -63.9 -39.19 84.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 119.069 -1.052 . . . . 0.0 110.679 178.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.68 -30.13 70.78 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 121.099 0.476 . . . . 0.0 109.993 178.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 34.0 t -68.36 -55.31 12.47 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.691 -179.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -56.73 -40.21 75.31 Favored 'General case' 0 C--O 1.24 0.575 0 C-N-CA 118.372 -1.331 . . . . 0.0 108.479 179.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . 0.655 ' O ' ' HB2' ' B' ' 91' ' ' GLU . 24.0 m120 -58.89 -40.37 84.25 Favored 'General case' 0 C--O 1.198 -1.616 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 177.618 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.564 ' O ' ' O ' ' B' ' 91' ' ' GLU . 68.4 t80 -63.57 -40.51 97.15 Favored 'General case' 0 C--N 1.302 -1.474 0 C-N-CA 118.23 -1.388 . . . . 0.0 110.528 178.753 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -64.23 -60.8 2.77 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 120.007 -0.677 . . . . 0.0 112.317 -178.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 90' ' ' TRP . . . . . 0.621 ' CD2' ' OH ' ' A' ' 26' ' ' TYR . 20.1 t-105 -68.97 -44.02 73.76 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 119.701 -0.8 . . . . 0.0 111.434 179.012 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . 0.655 ' HB2' ' O ' ' B' ' 87' ' ' ASN . 93.7 mt-10 . . . . . 0 C--N 1.319 -0.747 0 CA-C-N 114.317 -1.31 . . . . 0.0 111.634 -179.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 . . . . . 0 C--O 1.231 0.096 0 N-CA-C 113.199 0.815 . . . . 0.0 113.199 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.1 tt -64.23 -42.08 96.71 Favored 'General case' 0 C--O 1.241 0.653 0 C-N-CA 119.201 -1.0 . . . . 0.0 108.716 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.453 ' C ' ' OE1' ' A' ' 5' ' ' GLU . 6.4 tm-20 -63.72 -40.49 96.89 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 114.617 -1.174 . . . . 0.0 109.127 179.508 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 44.3 m -60.4 -39.59 87.91 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.179 178.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.59 -43.51 96.72 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.934 179.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 97.7 mtp -59.21 -41.3 88.26 Favored 'General case' 0 C--O 1.248 1.017 0 CA-C-O 121.924 0.869 . . . . 0.0 109.079 178.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -64.76 -35.35 80.78 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 114.917 -1.038 . . . . 0.0 110.151 178.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 50.3 m -64.52 -43.59 93.55 Favored 'General case' 0 N--CA 1.445 -0.681 0 C-N-CA 120.001 -0.679 . . . . 0.0 110.292 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 38.6 mt -62.24 -42.87 99.7 Favored 'General case' 0 C--O 1.24 0.565 0 C-N-CA 119.317 -0.953 . . . . 0.0 108.984 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.19 -46.18 97.04 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.118 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.49 178.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -61.98 -41.18 97.74 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 -178.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.1 m -73.51 -41.06 56.21 Favored 'Isoleucine or valine' 0 C--O 1.254 1.329 0 C-N-CA 119.138 -1.025 . . . . 0.0 111.317 -179.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -60.24 -47.06 87.6 Favored 'General case' 0 CA--C 1.514 -0.441 0 C-N-CA 119.28 -0.968 . . . . 0.0 109.491 177.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -63.33 -35.25 79.74 Favored 'General case' 0 CA--C 1.504 -0.79 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.649 177.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.505 ' O ' ' HB2' ' A' ' 21' ' ' LYS . . . -57.59 -51.2 70.48 Favored 'General case' 0 N--CA 1.436 -1.128 0 C-N-CA 118.835 -1.146 . . . . 0.0 109.621 -178.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.46 ' ND1' ' HG ' ' A' ' 36' ' ' LEU . 47.6 m80 -79.13 -52.86 7.61 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 114.687 1.366 . . . . 0.0 114.687 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.454 ' OG ' ' O ' ' A' ' 24' ' ' ASP . 22.7 t -57.99 -40.5 80.86 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 118.979 -1.089 . . . . 0.0 108.917 -179.081 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -71.66 -43.33 52.21 Favored Glycine 0 C--N 1.341 0.821 0 CA-C-N 115.324 -0.853 . . . . 0.0 112.486 178.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.505 ' HB2' ' O ' ' A' ' 17' ' ' ALA . 7.0 ttpm? -58.46 -44.24 89.17 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 119.941 -0.704 . . . . 0.0 111.705 -179.651 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.525 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 84.8 tt0 -135.91 139.3 43.19 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.178 -0.609 . . . . 0.0 110.832 -179.72 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.96 -163.15 52.2 Favored Glycine 0 CA--C 1.521 0.433 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 178.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.454 ' O ' ' OG ' ' A' ' 19' ' ' SER . 89.2 m-20 -67.99 142.45 55.94 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 178.729 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.3 mtmt -61.1 -32.52 72.19 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.574 -0.739 . . . . 0.0 112.678 -177.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.604 ' OH ' ' CE3' ' B' ' 90' ' ' TRP . 98.8 m-85 -106.6 18.16 22.28 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 113.045 0.758 . . . . 0.0 113.045 -177.705 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.424 ' CG ' ' OE2' ' A' ' 68' ' ' GLU . 38.7 tptt -140.49 140.7 35.37 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 119.065 -1.054 . . . . 0.0 108.91 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.4 tp -117.17 131.42 56.88 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.277 -175.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 87.2 p -99.24 165.64 11.6 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 116.751 -0.204 . . . . 0.0 111.064 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.0 ttpm? -54.24 -48.39 71.17 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-O 121.226 0.536 . . . . 0.0 111.857 -177.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.546 ' HG3' ' N ' ' A' ' 32' ' ' GLU . 24.8 pttm -61.31 -47.87 83.95 Favored 'General case' 0 N--CA 1.439 -0.987 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.292 -178.722 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.546 ' N ' ' HG3' ' A' ' 31' ' ' LYS . 95.7 mt-10 -62.84 -48.91 77.01 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 120.054 -0.658 . . . . 0.0 112.09 -178.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.1 pp -61.66 -35.82 79.05 Favored 'General case' 0 CA--C 1.501 -0.929 0 C-N-CA 118.53 -1.268 . . . . 0.0 109.85 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.682 ' NZ ' ' NE2' ' A' ' 38' ' ' GLN . 1.1 tptm -55.96 -36.61 68.0 Favored 'General case' 0 N--CA 1.434 -1.226 0 C-N-CA 118.584 -1.246 . . . . 0.0 108.041 178.154 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.47 ' O ' ' CG2' ' A' ' 39' ' ' THR . 77.1 mm-40 -74.26 -40.41 62.37 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 179.162 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.46 ' HG ' ' ND1' ' A' ' 18' ' ' HIS . 4.1 tt -65.7 -45.57 82.28 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 119.774 -0.77 . . . . 0.0 111.384 -177.225 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.573 ' O ' ' O ' ' A' ' 41' ' ' LEU . 1.3 mm? -64.25 -43.61 94.37 Favored 'General case' 0 N--CA 1.462 0.148 0 C-N-CA 118.941 -1.104 . . . . 0.0 111.049 179.792 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.682 ' NE2' ' NZ ' ' A' ' 34' ' ' LYS . 95.5 mt-30 -63.64 -39.25 93.87 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 120.454 -0.498 . . . . 0.0 111.612 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.47 ' CG2' ' O ' ' A' ' 35' ' ' GLU . 64.1 p -71.36 -32.87 69.03 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.571 -0.451 . . . . 0.0 111.2 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -101.86 -59.61 1.67 Allowed 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -178.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.573 ' O ' ' O ' ' A' ' 37' ' ' LEU . 51.3 mt -99.43 141.82 31.72 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.213 0.53 . . . . 0.0 111.521 -179.146 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.6 t -113.09 -59.97 1.95 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.674 179.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.92 -39.31 93.89 Favored Glycine 0 CA--C 1.531 1.088 0 CA-C-N 116.018 -0.537 . . . . 0.0 114.215 -178.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -62.02 -52.52 63.65 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 118.029 0.914 . . . . 0.0 112.729 -178.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -73.03 -38.57 66.49 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.444 -0.502 . . . . 0.0 111.769 178.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 57.0 t0 -60.2 -30.13 69.17 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.54 -179.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.17 -29.12 60.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.093 -0.503 . . . . 0.0 112.275 -177.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 90.2 mm-40 -90.66 121.37 32.51 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 119.442 -0.903 . . . . 0.0 110.169 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -62.66 -39.16 93.03 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 113.68 0.993 . . . . 0.0 113.68 -179.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -69.69 142.35 53.38 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -177.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.3 m -74.25 -27.82 22.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.422 178.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -81.98 3.83 25.06 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.213 179.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.84 -36.97 68.11 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.542 -179.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.522 ' CG1' ' N ' ' A' ' 55' ' ' ASP . 8.4 p -60.79 -42.01 90.68 Favored 'Isoleucine or valine' 0 C--O 1.243 0.749 0 C-N-CA 120.106 -0.638 . . . . 0.0 109.558 178.421 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.522 ' N ' ' CG1' ' A' ' 54' ' ' VAL . 21.8 t70 -59.89 -42.69 94.36 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.478 -0.783 . . . . 0.0 108.986 179.004 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -63.0 -37.7 88.21 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.171 -0.922 . . . . 0.0 110.239 178.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 70.9 t -63.46 -45.08 98.84 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.107 0 CA-C-N 116.065 -0.516 . . . . 0.0 112.053 -178.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.554 ' CE ' ' O ' ' A' ' 67' ' ' GLY . 1.5 ptp -65.24 -31.91 73.31 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 -178.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.1 mtmm -57.85 -42.41 84.4 Favored 'General case' 0 C--O 1.231 0.118 0 C-N-CA 119.65 -0.82 . . . . 0.0 112.298 -177.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -66.79 -39.74 87.89 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.408 0.623 . . . . 0.0 110.677 178.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 65.9 mt -68.24 -33.36 74.26 Favored 'General case' 0 CA--C 1.513 -0.47 0 CA-C-N 114.842 -1.072 . . . . 0.0 112.948 -178.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.578 ' OD2' ' N ' ' A' ' 66' ' ' ASP . 40.3 t0 -77.62 99.04 5.63 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 119.005 -1.078 . . . . 0.0 112.553 -176.604 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -67.26 -47.36 70.94 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-O 122.643 1.211 . . . . 0.0 111.221 176.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 31.4 m120 -58.8 -34.86 71.96 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-N 112.41 -2.177 . . . . 0.0 113.126 -177.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.488 ' C ' ' OD2' ' A' ' 62' ' ' ASP . . . 91.74 2.33 69.78 Favored Glycine 0 CA--C 1.528 0.855 0 N-CA-C 108.35 -1.9 . . . . 0.0 108.35 -177.128 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.67 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 47.4 p30 -62.59 -33.95 76.02 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 114.214 -0.993 . . . . 0.0 112.544 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.67 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 95.57 -2.15 64.62 Favored Glycine 0 C--O 1.226 -0.353 0 N-CA-C 109.356 -1.498 . . . . 0.0 109.356 -178.806 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.447 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 81.8 tt0 -113.55 143.34 44.71 Favored 'General case' 0 C--O 1.243 0.754 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 179.457 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 47.2 t -97.98 135.07 33.93 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.44 0 CA-C-N 116.137 -0.483 . . . . 0.0 112.036 -175.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.563 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 53.9 t0 -100.24 158.59 15.76 Favored 'General case' 0 N--CA 1.462 0.125 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.21 -179.588 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.563 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 1.0 OUTLIER -50.63 -43.96 57.2 Favored 'General case' 0 C--O 1.217 -0.62 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.63 -178.563 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -61.51 -40.33 94.21 Favored 'General case' 0 C--O 1.244 0.766 0 C-N-CA 119.712 -0.795 . . . . 0.0 110.69 179.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -65.07 -42.11 94.46 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-O 122.111 0.958 . . . . 0.0 109.925 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -63.22 -40.97 98.98 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-N 114.9 -1.046 . . . . 0.0 109.837 178.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -60.37 -48.02 90.04 Favored 'Isoleucine or valine' 0 C--O 1.248 0.975 0 CA-C-N 113.686 -1.597 . . . . 0.0 110.135 -179.066 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 14.4 m -67.47 -34.87 71.22 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.495 0 C-N-CA 117.747 -1.581 . . . . 0.0 109.25 178.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 30.0 tp -56.21 -52.19 65.33 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 118.765 -1.174 . . . . 0.0 111.677 178.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.501 ' O ' ' OG1' ' A' ' 82' ' ' THR . 34.4 m -68.03 -36.61 76.12 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 C-N-CA 118.487 -1.285 . . . . 0.0 111.852 -179.022 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.9 -49.32 59.19 Favored 'General case' 0 C--O 1.248 1.007 0 C-N-CA 119.072 -1.051 . . . . 0.0 112.24 -179.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.92 -39.92 96.02 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.434 HD11 ' N ' ' A' ' 81' ' ' LEU . 10.7 mp -65.05 -34.48 78.53 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 119.213 -0.995 . . . . 0.0 109.71 176.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.501 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 40.0 m -62.95 -50.05 72.34 Favored 'General case' 0 C--O 1.243 0.754 0 C-N-CA 119.71 -0.796 . . . . 0.0 111.479 179.732 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.7 p -64.16 -39.3 85.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 119.188 -1.005 . . . . 0.0 110.693 178.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.563 ' O ' ' CD1' ' A' ' 88' ' ' PHE . . . -65.58 -30.58 71.33 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 121.1 0.476 . . . . 0.0 109.892 178.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 45.2 t -68.05 -54.42 18.42 Favored 'General case' 0 CA--C 1.511 -0.521 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.478 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 34.7 t30 -56.44 -41.1 75.89 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 118.744 -1.183 . . . . 0.0 108.721 179.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -59.49 -38.24 80.35 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.945 178.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.563 ' CD1' ' O ' ' A' ' 84' ' ' ALA . 4.5 m-30 -66.31 -41.23 90.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.864 179.394 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -64.59 -52.31 58.21 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.191 -0.604 . . . . 0.0 111.408 -179.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.6 ' CE3' ' OH ' ' B' ' 26' ' ' TYR . 22.8 t-105 -66.65 -39.48 88.26 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-O 121.232 0.539 . . . . 0.0 112.023 179.155 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.54 ' O ' ' O ' ' A' ' 88' ' ' PHE . 4.8 tm-20 . . . . . 0 C--N 1.321 -0.659 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.935 -176.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 . . . . . 0 C--O 1.231 0.12 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 5.1 tt -64.26 -42.02 96.67 Favored 'General case' 0 C--O 1.24 0.601 0 C-N-CA 119.222 -0.991 . . . . 0.0 108.72 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . 0.452 ' OE1' ' C ' ' B' ' 5' ' ' GLU . 6.4 tm-20 -63.79 -40.48 96.77 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 114.586 -1.188 . . . . 0.0 109.034 179.526 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 44.3 m -60.42 -39.53 87.78 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.208 178.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.51 -43.54 96.9 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.964 179.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 97.7 mtp -59.35 -41.25 88.77 Favored 'General case' 0 C--O 1.25 1.101 0 CA-C-O 121.81 0.814 . . . . 0.0 109.07 178.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -64.74 -36.17 83.42 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.009 178.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 50.3 m -63.65 -43.78 95.76 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 119.922 -0.711 . . . . 0.0 110.455 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 43.8 mt -62.31 -42.75 99.63 Favored 'General case' 0 C--O 1.24 0.589 0 C-N-CA 119.367 -0.933 . . . . 0.0 108.995 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.18 -46.11 97.19 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.481 178.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -61.97 -41.26 97.81 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -178.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 14.1 m -73.49 -40.99 56.32 Favored 'Isoleucine or valine' 0 C--O 1.254 1.321 0 C-N-CA 119.092 -1.043 . . . . 0.0 111.275 -179.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -60.33 -47.08 87.59 Favored 'General case' 0 CA--C 1.512 -0.491 0 C-N-CA 119.322 -0.951 . . . . 0.0 109.444 177.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -63.38 -35.09 79.26 Favored 'General case' 0 CA--C 1.502 -0.866 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.692 177.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.497 ' O ' ' HB2' ' B' ' 21' ' ' LYS . . . -57.64 -51.17 70.62 Favored 'General case' 0 N--CA 1.437 -1.111 0 C-N-CA 118.832 -1.147 . . . . 0.0 109.62 -178.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.473 ' ND1' ' HG ' ' B' ' 36' ' ' LEU . 47.4 m80 -79.12 -52.95 7.5 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 114.671 1.36 . . . . 0.0 114.671 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.458 ' OG ' ' O ' ' B' ' 24' ' ' ASP . 22.6 t -57.86 -40.61 80.58 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 119.022 -1.071 . . . . 0.0 108.989 -179.164 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -71.61 -43.35 52.56 Favored Glycine 0 C--N 1.341 0.81 0 CA-C-N 115.336 -0.847 . . . . 0.0 112.47 178.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . 0.497 ' HB2' ' O ' ' B' ' 17' ' ' ALA . 7.0 ttpm? -58.58 -44.13 89.67 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 119.95 -0.7 . . . . 0.0 111.638 -179.575 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.534 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 84.7 tt0 -135.93 139.25 43.12 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.303 -0.559 . . . . 0.0 110.962 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.93 -163.06 52.17 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 178.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . 0.458 ' O ' ' OG ' ' B' ' 19' ' ' SER . 88.9 m-20 -68.05 142.47 55.86 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 178.711 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 26.2 mtmt -61.17 -32.54 72.28 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.54 -0.755 . . . . 0.0 112.588 -177.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.6 ' OH ' ' CE3' ' A' ' 90' ' ' TRP . 98.7 m-85 -106.47 18.15 22.35 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 -177.75 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.422 ' CG ' ' OE2' ' B' ' 68' ' ' GLU . 39.6 tptt -140.41 140.82 35.54 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 119.083 -1.047 . . . . 0.0 109.044 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 14.5 tp -117.29 131.5 56.8 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.184 -175.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 87.4 p -99.35 165.64 11.57 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 116.792 -0.185 . . . . 0.0 111.078 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 5.0 ttpm? -54.28 -48.41 71.28 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 121.218 0.532 . . . . 0.0 111.908 -177.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.539 ' HG3' ' N ' ' B' ' 32' ' ' GLU . 24.8 pttm -61.34 -47.82 84.14 Favored 'General case' 0 N--CA 1.439 -0.999 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.263 -178.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.539 ' N ' ' HG3' ' B' ' 31' ' ' LYS . 95.7 mt-10 -62.74 -49.02 76.67 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 120.01 -0.676 . . . . 0.0 112.097 -178.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.1 pp -61.55 -35.94 79.2 Favored 'General case' 0 CA--C 1.5 -0.959 0 C-N-CA 118.53 -1.268 . . . . 0.0 109.841 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.679 ' NZ ' HE22 ' B' ' 38' ' ' GLN . 1.0 OUTLIER -55.82 -36.63 67.67 Favored 'General case' 0 N--CA 1.434 -1.263 0 C-N-CA 118.597 -1.241 . . . . 0.0 108.198 178.146 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . 0.471 ' O ' ' CG2' ' B' ' 39' ' ' THR . 77.2 mm-40 -74.27 -40.41 62.35 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 179.118 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.473 ' HG ' ' ND1' ' B' ' 18' ' ' HIS . 4.2 tt -65.62 -45.64 82.35 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 119.773 -0.771 . . . . 0.0 111.428 -177.215 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.574 ' O ' ' O ' ' B' ' 41' ' ' LEU . 1.3 mm? -64.25 -43.57 94.48 Favored 'General case' 0 N--CA 1.462 0.175 0 C-N-CA 118.89 -1.124 . . . . 0.0 111.083 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.679 HE22 ' NZ ' ' B' ' 34' ' ' LYS . 95.5 mt-30 -63.62 -39.27 93.93 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.486 -0.486 . . . . 0.0 111.648 179.671 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.471 ' CG2' ' O ' ' B' ' 35' ' ' GLU . 64.6 p -71.38 -32.87 68.98 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.578 -0.449 . . . . 0.0 111.181 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -101.8 -59.65 1.67 Allowed 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 113.361 0.875 . . . . 0.0 113.361 -178.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.574 ' O ' ' O ' ' B' ' 37' ' ' LEU . 51.8 mt -99.52 141.73 31.93 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.271 0.558 . . . . 0.0 111.506 -179.075 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 2.6 t -112.99 -59.92 1.95 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.73 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.96 -39.36 94.06 Favored Glycine 0 CA--C 1.531 1.051 0 CA-C-N 115.973 -0.558 . . . . 0.0 114.136 -178.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -62.11 -52.41 63.99 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 118.052 0.926 . . . . 0.0 112.726 -177.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -73.04 -38.58 66.46 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 120.394 -0.522 . . . . 0.0 111.727 178.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 57.0 t0 -60.21 -30.04 69.13 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.617 -179.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.22 -29.14 60.57 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.338 0.495 . . . . 0.0 112.338 -177.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 90.2 mm-40 -90.55 121.35 32.41 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 119.439 -0.905 . . . . 0.0 110.179 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -62.66 -39.18 93.1 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 -179.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -69.7 142.34 53.36 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -177.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 4.4 m -74.3 -27.72 21.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.39 178.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -82.01 3.81 25.23 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.214 179.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.88 -36.9 68.15 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.519 -179.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.52 ' CG1' ' N ' ' B' ' 55' ' ' ASP . 8.4 p -60.72 -41.99 90.38 Favored 'Isoleucine or valine' 0 C--O 1.244 0.787 0 C-N-CA 120.144 -0.622 . . . . 0.0 109.605 178.328 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.52 ' N ' ' CG1' ' B' ' 54' ' ' VAL . 21.9 t70 -59.92 -42.79 94.68 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.466 -0.788 . . . . 0.0 108.917 179.012 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -62.81 -37.89 88.52 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.175 178.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 71.0 t -63.48 -45.02 98.98 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.054 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.039 -178.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' MET . . . . . 0.542 ' CE ' ' O ' ' B' ' 67' ' ' GLY . 1.5 ptp -65.39 -31.75 73.02 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 113.345 0.869 . . . . 0.0 113.345 -178.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 19.2 mtmm -57.87 -42.43 84.55 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 119.694 -0.803 . . . . 0.0 112.27 -177.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -66.83 -39.62 87.72 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.455 0.645 . . . . 0.0 110.724 178.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 65.9 mt -68.3 -33.39 74.24 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 114.928 -1.033 . . . . 0.0 112.948 -178.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.581 ' OD2' ' N ' ' B' ' 66' ' ' ASP . 40.3 t0 -77.56 98.99 5.56 Favored 'General case' 0 C--N 1.319 -0.748 0 C-N-CA 119.04 -1.064 . . . . 0.0 112.535 -176.578 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -67.26 -47.27 71.22 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-O 122.646 1.213 . . . . 0.0 111.221 176.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 31.4 m120 -58.92 -34.82 72.14 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-N 112.45 -2.159 . . . . 0.0 113.029 -177.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.483 ' C ' ' OD2' ' B' ' 62' ' ' ASP . . . 91.63 2.39 69.99 Favored Glycine 0 CA--C 1.528 0.845 0 N-CA-C 108.332 -1.907 . . . . 0.0 108.332 -177.064 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.666 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 47.2 p30 -62.64 -33.93 76.02 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 114.24 -0.98 . . . . 0.0 112.514 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.666 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 95.58 -2.18 64.62 Favored Glycine 0 C--O 1.226 -0.347 0 N-CA-C 109.337 -1.505 . . . . 0.0 109.337 -178.76 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.425 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 82.0 tt0 -113.55 143.38 44.64 Favored 'General case' 0 C--O 1.243 0.73 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.531 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 47.4 t -98.01 135.03 34.14 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.392 0 CA-C-N 116.155 -0.475 . . . . 0.0 112.023 -175.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.562 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 53.3 t0 -99.99 158.62 15.69 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.131 -179.559 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.562 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 1.0 OUTLIER -50.77 -43.98 58.6 Favored 'General case' 0 C--O 1.217 -0.62 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.57 -178.743 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -61.42 -40.37 94.19 Favored 'General case' 0 C--O 1.243 0.753 0 C-N-CA 119.691 -0.803 . . . . 0.0 110.727 179.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -65.04 -42.13 94.58 Favored 'General case' 0 C--O 1.243 0.711 0 CA-C-O 122.139 0.971 . . . . 0.0 109.902 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -63.2 -41.0 99.1 Favored 'General case' 0 C--O 1.241 0.626 0 CA-C-N 114.854 -1.066 . . . . 0.0 109.82 178.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -60.36 -48.08 89.78 Favored 'Isoleucine or valine' 0 C--O 1.248 0.99 0 CA-C-N 113.689 -1.596 . . . . 0.0 110.174 -179.084 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 14.5 m -67.37 -34.88 71.6 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.544 0 C-N-CA 117.762 -1.575 . . . . 0.0 109.324 178.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 30.3 tp -56.24 -52.18 65.38 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 118.758 -1.177 . . . . 0.0 111.619 178.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.498 ' O ' ' OG1' ' B' ' 82' ' ' THR . 34.5 m -68.07 -36.61 76.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 118.413 -1.315 . . . . 0.0 111.828 -178.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.85 -49.28 59.69 Favored 'General case' 0 C--O 1.248 0.975 0 C-N-CA 118.975 -1.09 . . . . 0.0 112.3 -179.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.92 -39.86 95.85 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.446 ' N ' HD11 ' B' ' 81' ' ' LEU . 10.7 mp -65.06 -34.52 78.62 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 119.204 -0.998 . . . . 0.0 109.751 176.69 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.498 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 40.3 m -63.0 -49.95 72.66 Favored 'General case' 0 C--O 1.244 0.803 0 C-N-CA 119.678 -0.809 . . . . 0.0 111.438 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 13.7 p -64.21 -39.2 84.67 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 119.167 -1.013 . . . . 0.0 110.751 178.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . 0.574 ' O ' ' CD1' ' B' ' 88' ' ' PHE . . . -65.58 -30.58 71.33 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 121.13 0.491 . . . . 0.0 109.96 178.717 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 44.8 t -68.06 -54.45 18.22 Favored 'General case' 0 CA--C 1.511 -0.526 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.495 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 34.7 t30 -56.37 -41.13 75.67 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 118.713 -1.195 . . . . 0.0 108.697 178.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -59.5 -38.22 80.34 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.939 178.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.574 ' CD1' ' O ' ' B' ' 84' ' ' ALA . 4.5 m-30 -66.42 -41.14 89.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.866 179.423 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -64.59 -52.35 58.0 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.214 -0.594 . . . . 0.0 111.404 -179.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 90' ' ' TRP . . . . . 0.604 ' CE3' ' OH ' ' A' ' 26' ' ' TYR . 22.9 t-105 -66.66 -39.33 88.13 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 121.153 0.501 . . . . 0.0 111.998 179.161 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . 0.554 ' O ' ' O ' ' B' ' 88' ' ' PHE . 4.8 tm-20 . . . . . 0 C--N 1.321 -0.64 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.842 -176.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 42.7 tp10 . . . . . 0 C--O 1.237 0.437 0 CA-C-O 121.119 0.485 . . . . 0.0 109.743 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.403 ' CD1' ' OH ' ' B' ' 74' ' ' TYR . 4.8 tt -59.67 -39.82 85.73 Favored 'General case' 0 C--O 1.238 0.493 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 178.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.448 ' C ' ' OE1' ' A' ' 5' ' ' GLU . 5.6 tm-20 -61.63 -39.91 93.0 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 114.571 -1.195 . . . . 0.0 108.993 179.171 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 41.7 m -60.4 -40.84 92.37 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 108.96 -0.755 . . . . 0.0 108.96 178.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.07 -40.42 97.61 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 120.113 -0.635 . . . . 0.0 109.887 179.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 98.4 mtp -59.53 -41.28 89.64 Favored 'General case' 0 C--O 1.251 1.181 0 CA-C-O 122.133 0.968 . . . . 0.0 108.596 178.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -64.0 -35.44 80.72 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 114.63 -1.168 . . . . 0.0 109.662 177.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 73.6 m -63.86 -44.1 94.13 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 120.211 -0.596 . . . . 0.0 110.879 179.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 35.8 mt -62.18 -42.16 99.02 Favored 'General case' 0 C--O 1.239 0.538 0 C-N-CA 119.34 -0.944 . . . . 0.0 108.463 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.413 HG22 HD12 ' A' ' 12' ' ' ILE . 97.7 mt -61.76 -45.44 98.67 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.4 178.396 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -62.22 -41.98 98.88 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 -178.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.5 m -74.12 -41.24 51.91 Favored 'Isoleucine or valine' 0 C--O 1.253 1.288 0 C-N-CA 119.152 -1.019 . . . . 0.0 111.494 -179.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -60.82 -46.96 88.48 Favored 'General case' 0 CA--C 1.51 -0.586 0 C-N-CA 119.261 -0.976 . . . . 0.0 109.393 177.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -63.34 -35.69 81.23 Favored 'General case' 0 CA--C 1.5 -0.968 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.951 177.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.492 ' O ' ' HB2' ' A' ' 21' ' ' LYS . . . -57.75 -51.47 69.42 Favored 'General case' 0 N--CA 1.434 -1.266 0 C-N-CA 118.753 -1.179 . . . . 0.0 109.632 -178.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.491 ' CD2' ' HG ' ' A' ' 36' ' ' LEU . 29.9 m-70 -79.11 -52.5 8.1 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.486 ' OG ' ' O ' ' A' ' 24' ' ' ASP . 23.1 t -58.09 -40.72 81.84 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 119.232 -0.987 . . . . 0.0 109.222 -179.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -70.63 -43.62 59.78 Favored Glycine 0 C--N 1.345 1.072 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.137 178.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.492 ' HB2' ' O ' ' A' ' 17' ' ' ALA . 6.1 ttpm? -58.46 -42.38 87.32 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 119.816 -0.754 . . . . 0.0 111.317 -179.515 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.479 ' O ' ' O ' ' A' ' 19' ' ' SER . 77.2 mm-40 -129.97 150.17 51.37 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 120.808 -0.357 . . . . 0.0 111.63 179.21 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.97 -151.76 25.51 Favored Glycine 0 CA--C 1.524 0.64 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.949 178.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.486 ' O ' ' OG ' ' A' ' 19' ' ' SER . 89.2 m-20 -72.68 140.65 48.03 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 121.213 0.53 . . . . 0.0 110.434 179.407 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.446 ' C ' ' OG ' ' A' ' 19' ' ' SER . 47.9 mttm -61.37 -32.73 72.64 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.814 -178.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.603 ' OH ' ' CG ' ' B' ' 90' ' ' TRP . 98.6 m-85 -103.11 16.0 27.8 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.038 -0.983 . . . . 0.0 113.262 -175.437 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.426 ' CG ' ' OE2' ' A' ' 68' ' ' GLU . 41.1 tptt -143.01 141.85 31.45 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 119.148 -1.021 . . . . 0.0 108.841 179.135 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.7 tp -116.16 132.13 56.75 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 120.709 -0.396 . . . . 0.0 111.165 -176.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.2 t -101.86 160.59 14.35 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.827 -179.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.1 ttpt -52.46 -45.91 66.28 Favored 'General case' 0 CA--C 1.509 -0.597 0 C-N-CA 120.473 -0.491 . . . . 0.0 111.086 -178.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.4 ' HG3' ' N ' ' A' ' 32' ' ' GLU . 1.4 ptpm? -61.28 -40.97 96.11 Favored 'General case' 0 N--CA 1.436 -1.138 0 C-N-CA 119.695 -0.802 . . . . 0.0 110.01 -178.433 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.441 ' OE2' ' C ' ' A' ' 22' ' ' GLU . 94.4 mt-10 -70.48 -53.45 16.25 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 119.888 -0.725 . . . . 0.0 112.46 -178.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.6 pp -59.25 -36.76 76.08 Favored 'General case' 0 CA--C 1.5 -0.958 0 C-N-CA 119.578 -0.849 . . . . 0.0 110.758 -178.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.743 ' NZ ' HE21 ' A' ' 38' ' ' GLN . 14.7 tptp -56.42 -37.13 69.78 Favored 'General case' 0 N--CA 1.433 -1.296 0 C-N-CA 118.24 -1.384 . . . . 0.0 108.208 178.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.463 ' O ' ' CG2' ' A' ' 39' ' ' THR . 97.2 mt-10 -74.99 -40.15 60.84 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 179.259 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.491 ' HG ' ' CD2' ' A' ' 18' ' ' HIS . 4.2 tt -64.95 -45.06 87.3 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 119.75 -0.78 . . . . 0.0 111.025 -177.622 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.559 ' O ' ' O ' ' A' ' 41' ' ' LEU . 1.7 mm? -64.62 -43.53 93.46 Favored 'General case' 0 C--N 1.343 0.284 0 C-N-CA 118.962 -1.095 . . . . 0.0 111.065 179.645 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.743 HE21 ' NZ ' ' A' ' 34' ' ' LYS . 97.7 mt-30 -62.78 -38.55 91.07 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 120.207 -0.597 . . . . 0.0 111.174 179.378 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.463 ' CG2' ' O ' ' A' ' 35' ' ' GLU . 62.3 p -71.14 -33.36 70.0 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.556 -0.458 . . . . 0.0 111.268 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -102.15 -60.58 1.51 Allowed 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 113.075 0.769 . . . . 0.0 113.075 -179.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.559 ' O ' ' O ' ' A' ' 37' ' ' LEU . 52.2 mt -98.61 141.25 31.68 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.365 0.603 . . . . 0.0 111.727 -178.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.2 t -114.37 -57.89 2.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.519 179.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.58 -39.69 93.59 Favored Glycine 0 CA--C 1.531 1.033 0 CA-C-N 116.068 -0.515 . . . . 0.0 113.942 -178.258 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -62.79 -53.01 60.78 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 118.001 0.9 . . . . 0.0 112.604 -178.204 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -73.53 -39.37 64.82 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 120.386 -0.525 . . . . 0.0 111.639 178.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 58.7 t0 -60.73 -30.33 69.91 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.525 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.24 -29.68 61.37 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.123 -0.49 . . . . 0.0 112.035 -177.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.7 mm-40 -91.91 118.65 30.94 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 119.403 -0.919 . . . . 0.0 109.911 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.3 tttt -63.01 -39.39 94.61 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 -178.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -69.69 142.58 53.34 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -177.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.5 m -73.49 -27.26 23.2 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.087 178.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -76.41 -1.76 28.62 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.419 179.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.47 -37.17 69.95 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.026 -179.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.52 ' CG1' ' N ' ' A' ' 55' ' ' ASP . 7.2 p -59.99 -43.92 93.54 Favored 'Isoleucine or valine' 0 C--O 1.241 0.641 0 C-N-CA 120.001 -0.68 . . . . 0.0 110.038 178.651 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.52 ' N ' ' CG1' ' A' ' 54' ' ' VAL . 94.0 m-20 -61.01 -41.03 95.75 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.116 178.619 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -62.02 -38.08 87.3 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.86 178.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 76.3 t -65.57 -46.06 90.67 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.11 0 N-CA-C 112.984 0.735 . . . . 0.0 112.984 -178.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.537 ' CE ' ' O ' ' A' ' 67' ' ' GLY . 1.9 ptp -66.69 -34.83 78.73 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 119.235 -0.986 . . . . 0.0 113.224 -177.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 35.9 mmtt -58.93 -41.46 87.41 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 119.277 -0.969 . . . . 0.0 112.131 -178.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -66.17 -41.79 89.81 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.001 -0.68 . . . . 0.0 110.922 179.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 75.2 mt -68.94 -33.79 74.3 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.083 -0.962 . . . . 0.0 112.778 -179.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.658 ' OD2' ' N ' ' A' ' 66' ' ' ASP . 50.8 t0 -79.64 101.3 8.27 Favored 'General case' 0 C--N 1.316 -0.875 0 C-N-CA 119.795 -0.762 . . . . 0.0 112.924 -175.674 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -66.67 -46.23 76.36 Favored 'General case' 0 CA--C 1.51 -0.572 0 CA-C-O 122.713 1.244 . . . . 0.0 111.211 176.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -58.33 -33.67 69.76 Favored 'General case' 0 C--N 1.301 -1.543 0 CA-C-N 112.286 -2.234 . . . . 0.0 112.771 -177.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 84.95 16.42 65.29 Favored Glycine 0 CA--C 1.527 0.842 0 N-CA-C 108.689 -1.764 . . . . 0.0 108.689 -177.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.658 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 47.0 p30 -85.04 4.45 33.88 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 114.627 -0.786 . . . . 0.0 112.082 -179.075 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.618 ' N ' ' OD2' ' A' ' 62' ' ' ASP . . . 62.5 -4.27 0.68 Allowed Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.716 -0.954 . . . . 0.0 110.716 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.571 ' H ' ' C ' ' A' ' 66' ' ' ASP . 82.8 tt0 -110.43 143.44 40.73 Favored 'General case' 0 C--O 1.243 0.731 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 -179.606 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 62.0 t -100.02 135.1 37.19 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.753 0 CA-C-N 116.188 -0.46 . . . . 0.0 112.061 -176.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.55 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 52.9 t0 -99.59 159.33 15.12 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 121.312 0.577 . . . . 0.0 111.238 -179.304 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.55 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 1.0 OUTLIER -50.73 -44.34 58.28 Favored 'General case' 0 C--O 1.22 -0.488 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.76 -178.528 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -61.6 -40.56 95.22 Favored 'General case' 0 C--O 1.244 0.797 0 C-N-CA 119.752 -0.779 . . . . 0.0 110.763 179.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -64.81 -42.15 95.23 Favored 'General case' 0 C--O 1.242 0.7 0 CA-C-O 122.229 1.014 . . . . 0.0 110.0 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -63.21 -41.05 99.1 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-N 114.718 -1.128 . . . . 0.0 109.816 178.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -59.96 -48.16 88.88 Favored 'Isoleucine or valine' 0 C--O 1.248 1.003 0 CA-C-N 113.589 -1.641 . . . . 0.0 110.132 -179.138 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 15.3 m -67.26 -35.15 73.16 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.563 0 C-N-CA 117.83 -1.548 . . . . 0.0 109.406 178.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 33.1 tp -56.3 -51.97 66.25 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 118.813 -1.155 . . . . 0.0 111.861 178.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.495 ' O ' ' OG1' ' A' ' 82' ' ' THR . 34.4 m -68.75 -36.2 73.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 C-N-CA 118.415 -1.314 . . . . 0.0 111.952 -178.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.73 -48.79 62.92 Favored 'General case' 0 C--O 1.249 1.048 0 C-N-CA 118.951 -1.1 . . . . 0.0 112.108 -179.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.89 -40.44 97.55 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 179.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.422 HD11 ' N ' ' A' ' 81' ' ' LEU . 10.6 mp -65.37 -33.81 76.84 Favored 'General case' 0 C--O 1.216 -0.692 0 C-N-CA 119.141 -1.024 . . . . 0.0 109.913 176.745 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.495 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 43.9 m -62.81 -50.18 72.02 Favored 'General case' 0 C--O 1.247 0.931 0 C-N-CA 119.646 -0.822 . . . . 0.0 111.171 179.359 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.9 p -63.59 -39.41 85.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.575 0 C-N-CA 118.942 -1.103 . . . . 0.0 110.66 178.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.428 ' O ' ' CD2' ' A' ' 88' ' ' PHE . . . -64.62 -33.78 76.73 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 121.145 0.498 . . . . 0.0 109.826 178.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 47.3 t -63.54 -54.13 41.05 Favored 'General case' 0 CA--C 1.506 -0.72 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.242 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -55.86 -40.47 72.95 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 118.484 -1.286 . . . . 0.0 108.62 178.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.677 ' O ' ' HB2' ' A' ' 91' ' ' GLU . 2.9 m120 -59.89 -41.96 92.76 Favored 'General case' 0 C--O 1.202 -1.445 0 C-N-CA 120.162 -0.615 . . . . 0.0 110.55 178.539 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.533 ' O ' ' O ' ' A' ' 91' ' ' GLU . 76.1 m-85 -66.78 -35.39 79.96 Favored 'General case' 0 C--N 1.31 -1.139 0 C-N-CA 117.198 -1.801 . . . . 0.0 110.696 178.72 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -64.68 -61.5 2.15 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 119.657 -0.817 . . . . 0.0 111.832 -178.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.615 ' CG ' ' OH ' ' B' ' 26' ' ' TYR . 17.8 t-105 -69.43 -43.59 73.03 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.691 0.757 . . . . 0.0 111.433 178.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.677 ' HB2' ' O ' ' A' ' 87' ' ' ASN . 96.2 mt-10 . . . . . 0 C--N 1.32 -0.708 0 CA-C-N 114.344 -1.298 . . . . 0.0 111.475 -178.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 42.5 tp10 . . . . . 0 C--O 1.238 0.464 0 CA-C-O 121.071 0.462 . . . . 0.0 109.757 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 4.8 tt -59.7 -39.82 85.85 Favored 'General case' 0 C--O 1.238 0.448 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 178.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . 0.459 ' OE1' ' C ' ' B' ' 5' ' ' GLU . 5.6 tm-20 -61.64 -39.88 92.9 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 114.548 -1.205 . . . . 0.0 108.99 179.177 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 41.2 m -60.37 -40.76 91.97 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 178.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.11 -40.51 97.84 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.915 179.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 98.5 mtp -59.47 -41.25 89.3 Favored 'General case' 0 C--O 1.252 1.236 0 CA-C-O 122.088 0.947 . . . . 0.0 108.652 178.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -64.0 -36.0 82.56 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 114.704 -1.134 . . . . 0.0 109.533 177.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 71.0 m -63.22 -44.24 95.85 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 120.143 -0.623 . . . . 0.0 111.071 179.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 40.4 mt -62.19 -42.14 99.0 Favored 'General case' 0 C--O 1.24 0.56 0 C-N-CA 119.276 -0.97 . . . . 0.0 108.422 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.7 mt -61.71 -45.44 98.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.518 178.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -62.21 -41.89 98.8 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 -178.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 15.6 m -74.11 -41.34 51.93 Favored 'Isoleucine or valine' 0 C--O 1.253 1.258 0 C-N-CA 119.256 -0.977 . . . . 0.0 111.432 -179.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -60.77 -47.05 88.09 Favored 'General case' 0 CA--C 1.512 -0.51 0 C-N-CA 119.257 -0.977 . . . . 0.0 109.397 177.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -63.17 -35.79 81.49 Favored 'General case' 0 CA--C 1.501 -0.932 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.973 177.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.492 ' O ' ' HB2' ' B' ' 21' ' ' LYS . . . -57.73 -51.5 69.29 Favored 'General case' 0 N--CA 1.434 -1.272 0 C-N-CA 118.721 -1.191 . . . . 0.0 109.63 -178.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.495 ' CD2' ' HG ' ' B' ' 36' ' ' LEU . 30.0 m-70 -78.9 -52.66 7.98 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 114.603 1.334 . . . . 0.0 114.603 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.487 ' OG ' ' O ' ' B' ' 24' ' ' ASP . 23.1 t -58.09 -40.76 81.95 Favored 'General case' 0 C--O 1.233 0.209 0 C-N-CA 119.17 -1.012 . . . . 0.0 109.229 -178.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -70.6 -43.62 60.0 Favored Glycine 0 C--N 1.344 1.002 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.031 178.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . 0.492 ' HB2' ' O ' ' B' ' 17' ' ' ALA . 6.0 ttpm? -58.6 -42.33 87.85 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 119.854 -0.738 . . . . 0.0 111.259 -179.413 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.482 ' O ' ' O ' ' B' ' 19' ' ' SER . 77.3 mm-40 -129.97 150.04 51.42 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 120.818 -0.353 . . . . 0.0 111.749 179.16 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.98 -151.73 25.61 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.892 -0.483 . . . . 0.0 111.892 178.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . 0.487 ' O ' ' OG ' ' B' ' 19' ' ' SER . 89.2 m-20 -72.63 140.51 48.02 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.155 0.502 . . . . 0.0 110.514 179.425 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.451 ' C ' ' OG ' ' B' ' 19' ' ' SER . 47.9 mttm -61.31 -32.73 72.59 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.853 -178.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.615 ' OH ' ' CG ' ' A' ' 90' ' ' TRP . 98.6 m-85 -103.05 15.98 27.91 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.016 -0.993 . . . . 0.0 113.247 -175.511 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.416 ' CG ' ' OE2' ' B' ' 68' ' ' GLU . 41.7 tptt -142.94 141.87 31.56 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 119.133 -1.027 . . . . 0.0 108.874 179.146 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 12.7 tp -116.19 132.09 56.76 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 120.641 -0.424 . . . . 0.0 111.13 -176.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 25.9 t -101.81 160.53 14.4 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 -179.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 22.1 ttpt -52.37 -45.94 65.99 Favored 'General case' 0 CA--C 1.51 -0.594 0 C-N-CA 120.476 -0.49 . . . . 0.0 111.111 -178.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.407 ' HG3' ' N ' ' B' ' 32' ' ' GLU . 1.4 ptpm? -61.38 -40.86 95.9 Favored 'General case' 0 N--CA 1.437 -1.09 0 C-N-CA 119.668 -0.813 . . . . 0.0 109.967 -178.395 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.443 ' OE2' ' C ' ' B' ' 22' ' ' GLU . 94.4 mt-10 -70.61 -53.33 16.34 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 119.99 -0.684 . . . . 0.0 112.417 -178.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 2.6 pp -59.33 -36.8 76.32 Favored 'General case' 0 CA--C 1.501 -0.923 0 C-N-CA 119.553 -0.859 . . . . 0.0 110.814 -178.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.733 ' NZ ' HE21 ' B' ' 38' ' ' GLN . 14.7 tptp -56.35 -37.07 69.52 Favored 'General case' 0 N--CA 1.433 -1.297 0 C-N-CA 118.085 -1.446 . . . . 0.0 108.306 178.703 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . 0.463 ' O ' ' CG2' ' B' ' 39' ' ' THR . 97.3 mt-10 -75.05 -40.1 60.55 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 179.269 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.495 ' HG ' ' CD2' ' B' ' 18' ' ' HIS . 4.2 tt -64.97 -45.13 86.95 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 119.805 -0.758 . . . . 0.0 110.961 -177.594 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.565 ' O ' ' O ' ' B' ' 41' ' ' LEU . 1.7 mm? -64.54 -43.58 93.55 Favored 'General case' 0 C--N 1.343 0.287 0 C-N-CA 118.937 -1.105 . . . . 0.0 111.13 179.642 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.733 HE21 ' NZ ' ' B' ' 34' ' ' LYS . 97.8 mt-30 -62.78 -38.53 90.98 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 120.212 -0.595 . . . . 0.0 111.16 179.394 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.463 ' CG2' ' O ' ' B' ' 35' ' ' GLU . 63.6 p -71.16 -33.26 69.86 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.53 -0.468 . . . . 0.0 111.33 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -102.21 -60.63 1.51 Allowed 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 -179.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.565 ' O ' ' O ' ' B' ' 37' ' ' LEU . 51.9 mt -98.63 141.29 31.64 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.306 0.574 . . . . 0.0 111.805 -178.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 4.3 t -114.38 -57.92 2.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.457 179.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.55 -39.74 93.59 Favored Glycine 0 CA--C 1.531 1.052 0 CA-C-N 116.044 -0.526 . . . . 0.0 113.969 -178.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -62.78 -53.02 60.67 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 117.935 0.868 . . . . 0.0 112.564 -178.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -73.42 -39.39 65.05 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 120.368 -0.533 . . . . 0.0 111.695 178.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -60.7 -30.35 69.9 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.485 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.27 -29.7 61.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.072 -0.513 . . . . 0.0 112.0 -177.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 89.7 mm-40 -91.9 118.65 30.93 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 119.43 -0.908 . . . . 0.0 109.974 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 64.5 tttt -62.97 -39.41 94.62 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 113.918 1.081 . . . . 0.0 113.918 -178.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -69.7 142.5 53.33 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 -177.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 4.4 m -73.41 -27.28 23.4 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.127 178.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -76.3 -1.82 28.54 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.106 -0.952 . . . . 0.0 109.411 179.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.38 -37.31 69.92 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.97 -179.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.513 ' CG1' ' N ' ' B' ' 55' ' ' ASP . 7.2 p -60.0 -43.92 93.57 Favored 'Isoleucine or valine' 0 C--O 1.241 0.612 0 C-N-CA 120.005 -0.678 . . . . 0.0 110.007 178.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.513 ' N ' ' CG1' ' B' ' 54' ' ' VAL . 93.9 m-20 -61.02 -41.0 95.71 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.185 178.582 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -62.13 -37.9 86.92 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.884 178.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 76.3 t -65.72 -45.98 90.39 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.1 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 -178.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' MET . . . . . 0.541 ' CE ' ' O ' ' B' ' 67' ' ' GLY . 1.9 ptp -66.65 -34.88 78.84 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 119.271 -0.972 . . . . 0.0 113.21 -178.026 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 36.0 mmtt -58.93 -41.47 87.43 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 119.306 -0.958 . . . . 0.0 112.141 -178.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -66.22 -41.69 89.72 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.012 -0.675 . . . . 0.0 110.923 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 74.8 mt -69.05 -33.82 74.19 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.089 -0.959 . . . . 0.0 112.716 -179.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.648 ' OD2' ' N ' ' B' ' 66' ' ' ASP . 50.7 t0 -79.58 101.35 8.25 Favored 'General case' 0 C--N 1.316 -0.862 0 C-N-CA 119.767 -0.773 . . . . 0.0 112.961 -175.733 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -66.73 -46.22 76.16 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-O 122.669 1.223 . . . . 0.0 111.224 176.016 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -58.3 -33.63 69.67 Favored 'General case' 0 C--N 1.3 -1.564 0 CA-C-N 112.322 -2.217 . . . . 0.0 112.814 -177.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 84.88 16.46 65.38 Favored Glycine 0 CA--C 1.527 0.818 0 N-CA-C 108.734 -1.746 . . . . 0.0 108.734 -177.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.648 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 47.1 p30 -85.08 4.46 34.0 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 114.595 -0.803 . . . . 0.0 112.062 -179.083 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.624 ' N ' ' OD2' ' B' ' 62' ' ' ASP . . . 62.53 -4.2 0.71 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.677 -0.969 . . . . 0.0 110.677 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.583 ' H ' ' C ' ' B' ' 66' ' ' ASP . 82.7 tt0 -110.43 143.54 40.58 Favored 'General case' 0 C--O 1.243 0.716 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 -179.665 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 61.2 t -100.13 135.2 36.94 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.677 0 CA-C-N 116.185 -0.461 . . . . 0.0 112.058 -176.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.548 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 51.9 t0 -99.14 159.27 15.1 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-O 121.187 0.518 . . . . 0.0 111.293 -179.314 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.548 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 1.0 OUTLIER -50.85 -44.37 59.43 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.726 -178.834 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -61.6 -40.62 95.45 Favored 'General case' 0 C--O 1.245 0.817 0 C-N-CA 119.764 -0.774 . . . . 0.0 110.68 179.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -64.82 -42.15 95.21 Favored 'General case' 0 C--O 1.243 0.711 0 CA-C-O 122.172 0.986 . . . . 0.0 109.998 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . 0.403 ' OH ' ' CD1' ' A' ' 4' ' ' LEU . 60.9 t80 -63.12 -41.02 99.25 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-N 114.78 -1.1 . . . . 0.0 109.868 178.317 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -60.04 -48.2 88.84 Favored 'Isoleucine or valine' 0 C--O 1.248 1.003 0 CA-C-N 113.584 -1.644 . . . . 0.0 110.063 -179.079 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 15.3 m -67.14 -35.18 73.62 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.503 0 C-N-CA 117.789 -1.564 . . . . 0.0 109.435 178.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 32.7 tp -56.33 -51.98 66.25 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 118.744 -1.182 . . . . 0.0 111.823 178.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.491 ' O ' ' OG1' ' B' ' 82' ' ' THR . 34.4 m -68.73 -36.17 73.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 118.357 -1.337 . . . . 0.0 111.932 -178.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.73 -48.9 62.63 Favored 'General case' 0 C--O 1.25 1.126 0 C-N-CA 118.922 -1.111 . . . . 0.0 112.041 -179.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.8 -40.39 97.19 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.423 ' N ' HD11 ' B' ' 81' ' ' LEU . 10.5 mp -65.36 -34.02 77.34 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 119.146 -1.022 . . . . 0.0 109.853 176.718 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.491 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 44.3 m -62.69 -50.06 72.65 Favored 'General case' 0 C--O 1.246 0.895 0 C-N-CA 119.638 -0.825 . . . . 0.0 111.21 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 14.0 p -63.61 -39.41 85.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 118.972 -1.091 . . . . 0.0 110.612 178.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . 0.43 ' O ' ' CD2' ' B' ' 88' ' ' PHE . . . -64.76 -33.79 76.81 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 121.075 0.464 . . . . 0.0 109.78 178.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 47.6 t -63.39 -54.23 39.99 Favored 'General case' 0 CA--C 1.507 -0.679 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.208 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -55.8 -40.48 72.79 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 118.451 -1.3 . . . . 0.0 108.631 178.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . 0.664 ' O ' ' HB2' ' B' ' 91' ' ' GLU . 2.9 m120 -59.89 -41.97 92.78 Favored 'General case' 0 C--O 1.202 -1.43 0 C-N-CA 120.166 -0.614 . . . . 0.0 110.586 178.544 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.531 ' O ' ' O ' ' B' ' 91' ' ' GLU . 76.4 m-85 -66.75 -35.37 79.94 Favored 'General case' 0 C--N 1.309 -1.163 0 C-N-CA 117.199 -1.801 . . . . 0.0 110.745 178.673 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -64.7 -61.61 2.09 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 119.693 -0.803 . . . . 0.0 111.846 -178.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 90' ' ' TRP . . . . . 0.603 ' CG ' ' OH ' ' A' ' 26' ' ' TYR . 17.8 t-105 -69.34 -43.6 73.34 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.735 0.778 . . . . 0.0 111.462 178.759 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . 0.664 ' HB2' ' O ' ' B' ' 87' ' ' ASN . 96.2 mt-10 . . . . . 0 C--N 1.32 -0.694 0 CA-C-N 114.326 -1.306 . . . . 0.0 111.472 -178.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 . . . . . 0 C--O 1.236 0.376 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.9 tt -62.31 -41.98 98.99 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 117.85 -1.54 . . . . 0.0 107.671 -179.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.409 ' OE2' ' CD2' ' B' ' 41' ' ' LEU . 72.6 mm-40 -66.27 -36.47 83.07 Favored 'General case' 0 C--O 1.219 -0.506 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.797 177.601 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.0 m -58.55 -41.27 85.21 Favored 'General case' 0 C--O 1.237 0.433 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 179.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.75 -46.42 82.25 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.464 179.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 99.4 mtp -58.87 -40.89 85.69 Favored 'General case' 0 C--O 1.247 0.926 0 CA-C-O 121.63 0.729 . . . . 0.0 109.709 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.44 -36.02 82.66 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.168 177.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 52.7 m -63.68 -42.61 98.0 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 119.359 -0.936 . . . . 0.0 109.712 179.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 43.2 mt -61.03 -43.27 99.13 Favored 'General case' 0 C--O 1.241 0.61 0 C-N-CA 119.347 -0.941 . . . . 0.0 108.753 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.439 HG21 HD11 ' A' ' 12' ' ' ILE . 97.5 mt -61.51 -45.71 98.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.21 178.722 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -62.22 -41.63 98.56 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -178.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.9 m -73.57 -41.28 55.78 Favored 'Isoleucine or valine' 0 C--O 1.253 1.282 0 C-N-CA 119.169 -1.012 . . . . 0.0 111.383 -179.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -60.47 -47.94 83.95 Favored 'General case' 0 CA--C 1.509 -0.603 0 C-N-CA 119.2 -1.0 . . . . 0.0 110.027 177.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -65.21 -34.63 78.82 Favored 'General case' 0 CA--C 1.502 -0.871 0 CA-C-N 115.547 -0.752 . . . . 0.0 110.524 178.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.54 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . -58.28 -52.35 65.95 Favored 'General case' 0 N--CA 1.437 -1.117 0 C-N-CA 118.763 -1.175 . . . . 0.0 110.031 -178.6 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.442 ' CD2' ' HG ' ' A' ' 36' ' ' LEU . 17.4 m-70 -78.89 -48.12 15.22 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 118.846 -1.142 . . . . 0.0 113.815 -179.682 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.3 t -59.0 -44.01 91.58 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 119.278 -0.969 . . . . 0.0 110.468 -179.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -73.28 -44.56 34.22 Favored Glycine 0 CA--C 1.525 0.685 0 C-N-CA 120.744 -0.741 . . . . 0.0 111.697 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.54 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 7.5 ttpm? -59.42 -39.64 84.12 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 -179.178 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.477 ' C ' ' OE2' ' A' ' 32' ' ' GLU . 96.6 mt-10 -119.75 146.32 45.76 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 -178.404 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 51.66 -140.35 25.59 Favored Glycine 0 C--N 1.334 0.441 0 CA-C-N 114.769 -1.105 . . . . 0.0 112.582 177.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -70.52 146.69 50.03 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 114.952 -0.624 . . . . 0.0 110.094 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.8 mtmm -86.35 150.55 24.24 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.597 ' OH ' ' CE3' ' B' ' 90' ' ' TRP . 89.0 m-85 61.06 13.46 4.67 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.5 tptt -138.01 132.33 32.06 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 106.183 -1.784 . . . . 0.0 106.183 175.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.8 tp -110.99 128.27 55.79 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 120.069 -0.653 . . . . 0.0 110.677 -176.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 78.8 p -99.81 164.87 11.84 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.0 ttpt -55.41 -47.85 75.28 Favored 'General case' 0 C--O 1.241 0.657 0 C-N-CA 120.273 -0.571 . . . . 0.0 112.065 -177.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 32' ' ' GLU . 14.6 ptpt -61.87 -41.4 97.81 Favored 'General case' 0 N--CA 1.442 -0.871 0 C-N-CA 119.61 -0.836 . . . . 0.0 110.191 -178.034 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.477 ' OE2' ' C ' ' A' ' 22' ' ' GLU . 97.4 mt-10 -67.43 -46.63 72.56 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 120.124 -0.631 . . . . 0.0 112.175 -179.32 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.38 -33.65 75.15 Favored 'General case' 0 CA--C 1.5 -0.946 0 C-N-CA 118.338 -1.345 . . . . 0.0 109.046 179.554 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.528 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 0.4 OUTLIER -54.17 -37.39 64.41 Favored 'General case' 0 N--CA 1.437 -1.122 0 C-N-CA 117.938 -1.505 . . . . 0.0 108.029 178.029 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -75.52 -42.93 51.36 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 112.921 0.711 . . . . 0.0 112.921 179.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.442 ' HG ' ' CD2' ' A' ' 18' ' ' HIS . 1.0 OUTLIER -65.27 -45.97 82.37 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 120.338 -0.545 . . . . 0.0 111.44 -177.326 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.576 ' CD2' ' N ' ' A' ' 37' ' ' LEU . 0.8 OUTLIER -64.25 -42.62 96.42 Favored 'General case' 0 CA--C 1.52 -0.184 0 C-N-CA 119.116 -1.033 . . . . 0.0 111.191 -179.747 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.528 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 27.4 mt-30 -65.0 -39.54 93.6 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.317 -0.553 . . . . 0.0 112.069 179.504 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 82.6 p -70.29 -40.03 74.52 Favored 'General case' 0 CA--C 1.523 -0.064 0 C-N-CA 119.676 -0.81 . . . . 0.0 111.707 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -89.65 -47.48 7.92 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.397 -0.521 . . . . 0.0 111.287 179.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.567 ' N ' ' O ' ' A' ' 37' ' ' LEU . 29.4 mt -107.8 141.98 38.53 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 121.144 0.497 . . . . 0.0 111.433 -179.436 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.4 m -112.5 -68.55 0.92 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.384 178.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.87 -37.41 90.66 Favored Glycine 0 CA--C 1.533 1.172 0 CA-C-N 115.506 -0.77 . . . . 0.0 114.263 -178.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -59.79 -53.74 54.44 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 118.203 1.001 . . . . 0.0 112.565 -177.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -75.6 -38.8 58.75 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 120.343 -0.543 . . . . 0.0 111.216 178.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -60.58 -28.85 68.8 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.404 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.2 -28.6 54.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.147 -0.479 . . . . 0.0 112.095 -177.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 90.4 mm-40 -88.82 120.59 30.37 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 119.341 -0.944 . . . . 0.0 109.842 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -63.04 -36.06 82.31 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 113.75 1.018 . . . . 0.0 113.75 -179.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -70.01 142.01 52.83 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -177.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.4 m -74.13 -27.95 22.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.526 178.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -82.38 3.23 28.75 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 115.322 -0.853 . . . . 0.0 109.621 179.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.09 -38.03 72.76 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.27 -179.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.526 ' CG1' ' N ' ' A' ' 55' ' ' ASP . 8.7 p -60.53 -42.85 92.96 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 C-N-CA 119.807 -0.757 . . . . 0.0 109.951 178.745 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.526 ' N ' ' CG1' ' A' ' 54' ' ' VAL . 56.2 t0 -61.42 -42.28 98.49 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 179.131 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 44.4 mttm -61.97 -39.6 92.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.747 179.129 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 79.6 t -65.92 -45.7 90.41 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.119 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -179.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.6 ppp? -65.96 -33.96 77.0 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 -177.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 29.2 mmtm -60.05 -39.75 87.03 Favored 'General case' 0 CA--C 1.52 -0.19 0 C-N-CA 119.022 -1.071 . . . . 0.0 110.33 179.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -64.14 -39.58 94.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.176 0.512 . . . . 0.0 110.665 178.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.435 ' O ' ' OE1' ' A' ' 73' ' ' GLU . 75.8 mt -68.09 -35.39 78.09 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-N 115.466 -0.788 . . . . 0.0 112.313 -179.26 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -71.48 73.15 0.73 Allowed 'General case' 0 N--CA 1.446 -0.668 0 C-N-CA 118.521 -1.271 . . . . 0.0 110.487 -178.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -63.66 -38.09 89.82 Favored 'General case' 0 CA--C 1.498 -1.041 0 N-CA-C 106.959 -1.497 . . . . 0.0 106.959 176.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.482 ' OD1' ' OD2' ' A' ' 66' ' ' ASP . 17.4 t-20 -58.12 -39.7 79.35 Favored 'General case' 0 N--CA 1.43 -1.47 0 CA-C-N 111.617 -2.538 . . . . 0.0 111.34 178.553 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 79.79 19.66 70.07 Favored Glycine 0 CA--C 1.53 0.97 0 C-N-CA 121.469 -0.396 . . . . 0.0 112.803 178.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.491 ' O ' ' OE1' ' A' ' 68' ' ' GLU . 54.0 p30 -89.37 2.37 54.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 117.539 0.67 . . . . 0.0 112.649 -179.654 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 88.32 -5.11 85.14 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.38 -1.088 . . . . 0.0 110.38 179.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.491 ' OE1' ' O ' ' A' ' 66' ' ' ASP . 53.7 mp0 -121.21 160.42 23.87 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.005 -0.597 . . . . 0.0 110.629 179.335 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 38.5 t -104.68 129.57 56.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 105.625 -1.991 . . . . 0.0 105.625 176.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.511 ' C ' ' OD1' ' A' ' 70' ' ' ASP . 16.8 p30 -100.62 170.93 8.03 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 119.307 -0.957 . . . . 0.0 110.547 -177.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -53.55 -44.84 69.59 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.934 -178.48 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -61.77 -40.29 94.65 Favored 'General case' 0 C--O 1.242 0.707 0 C-N-CA 120.165 -0.614 . . . . 0.0 111.706 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.435 ' OE1' ' O ' ' A' ' 61' ' ' LEU . 77.5 mt-10 -64.57 -42.84 95.39 Favored 'General case' 0 C--O 1.242 0.69 0 CA-C-O 122.291 1.043 . . . . 0.0 109.689 179.741 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.408 ' CE1' HD13 ' A' ' 36' ' ' LEU . 69.5 t80 -63.25 -41.24 99.04 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-N 114.448 -1.251 . . . . 0.0 110.173 178.617 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -59.91 -47.63 90.86 Favored 'Isoleucine or valine' 0 C--O 1.247 0.958 0 CA-C-N 113.75 -1.568 . . . . 0.0 110.054 -179.018 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 16.4 m -67.45 -35.1 72.42 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 C-N-CA 117.875 -1.53 . . . . 0.0 109.323 178.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 30.6 tp -56.92 -50.39 72.72 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 118.741 -1.184 . . . . 0.0 111.857 178.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.463 ' O ' ' OG1' ' A' ' 82' ' ' THR . 35.6 m -68.98 -35.93 71.5 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 C-N-CA 118.606 -1.238 . . . . 0.0 111.676 -179.263 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.42 -48.59 64.24 Favored 'General case' 0 C--O 1.248 0.998 0 C-N-CA 119.081 -1.047 . . . . 0.0 111.805 -179.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.412 ' O ' HG11 ' A' ' 83' ' ' VAL . . . -63.24 -39.57 94.99 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 179.601 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 9.2 mp -65.08 -34.47 78.5 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 119.376 -0.93 . . . . 0.0 109.733 176.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.463 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 37.1 m -63.43 -50.21 70.68 Favored 'General case' 0 C--O 1.247 0.948 0 C-N-CA 119.823 -0.751 . . . . 0.0 111.441 179.613 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.412 HG11 ' O ' ' A' ' 80' ' ' ALA . 13.9 p -63.3 -38.81 83.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 C-N-CA 119.144 -1.022 . . . . 0.0 110.582 178.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.42 ' O ' ' CD2' ' A' ' 88' ' ' PHE . . . -65.27 -35.36 80.79 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 120.326 -0.549 . . . . 0.0 109.926 178.746 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 9.1 t -61.71 -54.99 35.16 Favored 'General case' 0 CA--C 1.507 -0.677 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.259 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 33.8 t30 -56.87 -39.0 73.53 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 118.797 -1.161 . . . . 0.0 108.972 178.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 34.8 t30 -57.77 -41.65 82.45 Favored 'General case' 0 C--O 1.219 -0.512 0 C-N-CA 120.127 -0.629 . . . . 0.0 110.43 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.42 ' CD2' ' O ' ' A' ' 84' ' ' ALA . 70.5 m-85 -67.99 -41.0 82.96 Favored 'General case' 0 C--O 1.226 -0.134 0 C-N-CA 119.546 -0.861 . . . . 0.0 110.867 178.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -58.78 -45.41 89.9 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.282 -0.567 . . . . 0.0 111.477 -179.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.588 ' CE3' ' OH ' ' B' ' 26' ' ' TYR . 16.1 t-105 -85.65 -58.51 2.63 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 -179.491 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.453 ' C ' ' OE1' ' A' ' 91' ' ' GLU . 7.6 tm-20 . . . . . 0 C--N 1.321 -0.659 0 N-CA-C 113.407 0.892 . . . . 0.0 113.407 -176.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 . . . . . 0 C--O 1.234 0.285 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 5.9 tt -62.32 -42.05 99.05 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 117.913 -1.515 . . . . 0.0 107.642 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -66.24 -36.56 83.32 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.825 177.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 43.6 m -58.5 -41.09 84.56 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 179.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.04 -46.3 81.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.416 179.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 99.3 mtp -58.91 -40.87 85.8 Favored 'General case' 0 C--O 1.246 0.897 0 CA-C-O 121.635 0.731 . . . . 0.0 109.824 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.36 -36.84 85.24 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.04 177.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 48.7 m -62.75 -42.9 99.89 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 119.375 -0.93 . . . . 0.0 109.901 178.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 49.1 mt -61.14 -43.05 99.49 Favored 'General case' 0 C--O 1.241 0.64 0 C-N-CA 119.283 -0.967 . . . . 0.0 108.797 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.4 mt -61.58 -45.5 98.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.344 178.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -62.36 -41.58 98.72 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -178.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 14.6 m -73.53 -41.29 56.06 Favored 'Isoleucine or valine' 0 C--O 1.253 1.246 0 C-N-CA 119.26 -0.976 . . . . 0.0 111.411 -179.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -60.55 -48.0 83.72 Favored 'General case' 0 CA--C 1.509 -0.618 0 C-N-CA 119.156 -1.018 . . . . 0.0 109.984 177.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -65.15 -34.63 78.85 Favored 'General case' 0 CA--C 1.503 -0.859 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.436 178.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.545 ' O ' ' CB ' ' B' ' 21' ' ' LYS . . . -58.3 -52.38 65.82 Favored 'General case' 0 N--CA 1.436 -1.147 0 C-N-CA 118.76 -1.176 . . . . 0.0 110.078 -178.62 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.456 ' CD2' ' HG ' ' B' ' 36' ' ' LEU . 17.3 m-70 -78.82 -48.13 15.35 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 118.855 -1.138 . . . . 0.0 113.896 -179.728 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.401 ' HG ' ' N ' ' B' ' 27' ' ' LYS . 41.8 t -59.1 -43.89 91.9 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 119.248 -0.981 . . . . 0.0 110.53 -179.367 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -73.31 -44.62 33.77 Favored Glycine 0 CA--C 1.526 0.735 0 C-N-CA 120.831 -0.699 . . . . 0.0 111.647 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . 0.545 ' CB ' ' O ' ' B' ' 17' ' ' ALA . 7.5 ttpm? -59.41 -39.62 84.01 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 -179.178 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.48 ' C ' ' OE2' ' B' ' 32' ' ' GLU . 96.7 mt-10 -119.75 146.36 45.72 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 -178.426 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 51.63 -140.23 25.71 Favored Glycine 0 CA--C 1.521 0.45 0 CA-C-N 114.891 -1.05 . . . . 0.0 112.693 177.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -70.69 146.7 49.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 114.956 -0.622 . . . . 0.0 110.046 179.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 26.8 mtmm -86.26 150.45 24.35 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.588 ' OH ' ' CE3' ' A' ' 90' ' ' TRP . 89.1 m-85 61.18 13.37 4.73 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.401 ' N ' ' HG ' ' B' ' 19' ' ' SER . 14.2 tptt -138.0 132.49 32.33 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 106.153 -1.795 . . . . 0.0 106.153 175.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 15.8 tp -111.14 128.17 55.81 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 120.077 -0.649 . . . . 0.0 110.714 -176.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 78.7 p -99.75 164.9 11.84 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 17.0 ttpt -55.46 -47.9 75.36 Favored 'General case' 0 C--O 1.242 0.695 0 C-N-CA 120.203 -0.599 . . . . 0.0 112.071 -177.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' B' ' 32' ' ' GLU . 14.6 ptpt -61.69 -41.48 97.64 Favored 'General case' 0 N--CA 1.442 -0.85 0 C-N-CA 119.671 -0.812 . . . . 0.0 110.266 -178.104 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.48 ' OE2' ' C ' ' B' ' 22' ' ' GLU . 97.3 mt-10 -67.39 -46.64 72.66 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 120.228 -0.589 . . . . 0.0 112.204 -179.335 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.39 -33.58 75.03 Favored 'General case' 0 CA--C 1.5 -0.956 0 C-N-CA 118.346 -1.342 . . . . 0.0 109.121 179.498 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.535 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 0.4 OUTLIER -54.33 -37.39 64.81 Favored 'General case' 0 N--CA 1.437 -1.088 0 C-N-CA 117.897 -1.521 . . . . 0.0 107.944 178.08 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -75.56 -42.83 51.24 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 179.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.456 ' HG ' ' CD2' ' B' ' 18' ' ' HIS . 1.1 tt -65.21 -45.95 82.65 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 120.37 -0.532 . . . . 0.0 111.539 -177.413 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.581 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 0.8 OUTLIER -64.3 -42.59 96.28 Favored 'General case' 0 CA--C 1.521 -0.142 0 C-N-CA 119.098 -1.041 . . . . 0.0 111.211 -179.798 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.535 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 27.4 mt-30 -64.96 -39.56 93.68 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.3 -0.56 . . . . 0.0 112.072 179.416 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 82.8 p -70.27 -40.08 74.57 Favored 'General case' 0 C--N 1.334 -0.096 0 C-N-CA 119.65 -0.82 . . . . 0.0 111.685 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -89.6 -47.51 7.91 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.365 -0.534 . . . . 0.0 111.278 179.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.58 ' N ' ' O ' ' B' ' 37' ' ' LEU . 29.4 mt -107.83 142.05 38.47 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 121.191 0.52 . . . . 0.0 111.458 -179.436 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 3.4 m -112.51 -68.67 0.91 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.395 178.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.81 -37.46 90.4 Favored Glycine 0 CA--C 1.533 1.188 0 CA-C-N 115.448 -0.796 . . . . 0.0 114.243 -178.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -59.75 -53.79 53.9 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 118.194 0.997 . . . . 0.0 112.523 -177.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -75.67 -38.7 58.52 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 120.279 -0.568 . . . . 0.0 111.201 178.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -60.52 -28.84 68.71 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.506 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.26 -28.63 54.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 0.0 112.096 -177.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 90.4 mm-40 -88.72 120.56 30.23 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 119.369 -0.933 . . . . 0.0 109.793 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -63.0 -36.15 82.58 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -179.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -70.03 142.07 52.79 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -177.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 4.3 m -74.21 -27.93 22.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.536 178.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -82.35 3.22 28.7 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.673 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.01 -38.14 72.68 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.257 -179.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.528 ' CG1' ' N ' ' B' ' 55' ' ' ASP . 8.8 p -60.5 -42.83 92.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 C-N-CA 119.796 -0.761 . . . . 0.0 109.949 178.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.528 ' N ' ' CG1' ' B' ' 54' ' ' VAL . 56.1 t0 -61.46 -42.24 98.47 Favored 'General case' 0 N--CA 1.447 -0.575 0 C-N-CA 120.1 -0.64 . . . . 0.0 109.32 179.105 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 44.4 mttm -62.0 -39.54 92.57 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.814 179.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 79.7 t -65.88 -45.77 90.35 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.072 0 N-CA-C 112.338 0.495 . . . . 0.0 112.338 -179.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 2.6 ppp? -65.9 -34.03 77.19 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 -177.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 29.3 mmtm -59.93 -39.84 86.84 Favored 'General case' 0 CA--C 1.52 -0.19 0 C-N-CA 119.09 -1.044 . . . . 0.0 110.373 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -64.11 -39.66 94.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.151 0.501 . . . . 0.0 110.599 178.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.439 ' O ' ' OE1' ' B' ' 73' ' ' GLU . 76.1 mt -68.08 -35.27 77.9 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-N 115.466 -0.788 . . . . 0.0 112.397 -179.206 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -71.62 73.28 0.78 Allowed 'General case' 0 N--CA 1.447 -0.622 0 C-N-CA 118.346 -1.342 . . . . 0.0 110.479 -178.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' B' ' 61' ' ' LEU . 87.5 tt0 -63.59 -38.15 90.02 Favored 'General case' 0 CA--C 1.497 -1.086 0 N-CA-C 107.016 -1.476 . . . . 0.0 107.016 176.118 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.477 ' OD1' ' OD2' ' B' ' 66' ' ' ASP . 17.5 t-20 -58.22 -39.63 79.56 Favored 'General case' 0 N--CA 1.43 -1.47 0 CA-C-N 111.531 -2.577 . . . . 0.0 111.284 178.661 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 79.82 19.59 70.13 Favored Glycine 0 CA--C 1.531 1.041 0 C-N-CA 121.4 -0.429 . . . . 0.0 112.825 178.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.493 ' O ' ' OE1' ' B' ' 68' ' ' GLU . 54.0 p30 -89.34 2.37 54.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 117.467 0.633 . . . . 0.0 112.679 -179.643 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 88.3 -5.02 85.26 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.369 -1.092 . . . . 0.0 110.369 179.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.493 ' OE1' ' O ' ' B' ' 66' ' ' ASP . 53.8 mp0 -121.34 160.32 24.26 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.029 -0.585 . . . . 0.0 110.632 179.368 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 38.7 t -104.59 129.65 56.73 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.609 0 N-CA-C 105.8 -1.926 . . . . 0.0 105.8 176.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.513 ' C ' ' OD1' ' B' ' 70' ' ' ASP . 17.8 p30 -100.51 170.91 8.06 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 119.336 -0.946 . . . . 0.0 110.565 -177.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -53.57 -44.88 69.68 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.927 -178.541 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -61.71 -40.25 94.36 Favored 'General case' 0 C--O 1.243 0.727 0 C-N-CA 120.063 -0.655 . . . . 0.0 111.836 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.439 ' OE1' ' O ' ' B' ' 61' ' ' LEU . 77.5 mt-10 -64.55 -42.8 95.47 Favored 'General case' 0 C--O 1.243 0.734 0 CA-C-O 122.358 1.075 . . . . 0.0 109.701 179.66 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . 0.406 ' CE1' HD13 ' B' ' 36' ' ' LEU . 69.8 t80 -63.44 -41.08 98.66 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-N 114.476 -1.238 . . . . 0.0 110.155 178.69 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -60.04 -47.54 91.41 Favored 'Isoleucine or valine' 0 C--O 1.247 0.956 0 CA-C-N 113.797 -1.547 . . . . 0.0 110.031 -179.012 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 16.3 m -67.48 -35.07 72.18 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.56 0 C-N-CA 117.929 -1.509 . . . . 0.0 109.348 178.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 30.8 tp -56.95 -50.44 72.61 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 118.872 -1.131 . . . . 0.0 111.754 178.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.458 ' O ' ' OG1' ' B' ' 82' ' ' THR . 35.8 m -69.05 -35.91 71.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 118.558 -1.257 . . . . 0.0 111.665 -179.226 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.38 -48.48 64.6 Favored 'General case' 0 C--O 1.248 0.981 0 C-N-CA 119.043 -1.063 . . . . 0.0 111.918 -179.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . 0.411 ' O ' HG11 ' B' ' 83' ' ' VAL . . . -63.21 -39.66 95.28 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 179.573 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 9.2 mp -64.92 -34.63 78.86 Favored 'General case' 0 N--CA 1.447 -0.59 0 C-N-CA 119.321 -0.951 . . . . 0.0 109.839 176.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.458 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 37.5 m -63.33 -50.28 70.65 Favored 'General case' 0 C--O 1.246 0.877 0 C-N-CA 119.828 -0.749 . . . . 0.0 111.374 179.748 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . 0.411 HG11 ' O ' ' B' ' 80' ' ' ALA . 13.8 p -63.26 -38.77 83.0 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 C-N-CA 119.118 -1.033 . . . . 0.0 110.63 178.793 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . 0.41 ' O ' ' CD2' ' B' ' 88' ' ' PHE . . . -65.34 -35.24 80.39 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 120.348 -0.541 . . . . 0.0 109.863 178.734 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 9.2 t -61.77 -54.91 36.0 Favored 'General case' 0 CA--C 1.507 -0.696 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.357 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 33.6 t30 -56.91 -39.0 73.63 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 118.724 -1.19 . . . . 0.0 108.989 178.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 34.8 t30 -57.82 -41.54 82.47 Favored 'General case' 0 C--O 1.22 -0.455 0 C-N-CA 120.03 -0.668 . . . . 0.0 110.443 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.41 ' CD2' ' O ' ' B' ' 84' ' ' ALA . 70.7 m-85 -68.04 -41.04 82.7 Favored 'General case' 0 C--N 1.333 -0.122 0 C-N-CA 119.639 -0.824 . . . . 0.0 110.834 178.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -58.78 -45.28 90.2 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.245 -0.582 . . . . 0.0 111.582 -179.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 90' ' ' TRP . . . . . 0.597 ' CE3' ' OH ' ' A' ' 26' ' ' TYR . 16.0 t-105 -85.8 -58.34 2.69 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 -179.559 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . 0.447 ' OE1' ' C ' ' B' ' 91' ' ' GLU . 7.6 tm-20 . . . . . 0 C--N 1.321 -0.658 0 N-CA-C 113.481 0.919 . . . . 0.0 113.481 -176.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 . . . . . 0 C--O 1.236 0.352 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.0 tt -63.77 -41.98 97.88 Favored 'General case' 0 C--O 1.242 0.682 0 C-N-CA 119.251 -0.98 . . . . 0.0 109.028 -178.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.456 ' C ' ' OE1' ' A' ' 5' ' ' GLU . 8.6 tm-20 -63.72 -39.2 93.7 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 114.772 -1.104 . . . . 0.0 109.06 179.275 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.6 m -60.2 -40.29 89.55 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.126 178.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.31 -44.15 95.79 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.137 179.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 98.7 mtp -59.22 -41.07 87.78 Favored 'General case' 0 C--O 1.249 1.054 0 CA-C-O 121.857 0.837 . . . . 0.0 109.445 178.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -64.99 -35.71 82.06 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.084 178.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 51.0 m -64.47 -43.47 94.08 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 119.731 -0.788 . . . . 0.0 110.224 179.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 38.1 mt -61.69 -42.74 99.34 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 119.232 -0.987 . . . . 0.0 108.803 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.405 HD13 HG22 ' A' ' 12' ' ' ILE . 97.4 mt -62.12 -45.68 98.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 C-N-CA 119.775 -0.77 . . . . 0.0 111.586 178.688 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -61.83 -41.57 97.96 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -178.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.4 m -73.94 -41.13 53.18 Favored 'Isoleucine or valine' 0 C--O 1.255 1.344 0 C-N-CA 119.289 -0.965 . . . . 0.0 111.437 -179.303 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -60.51 -47.93 83.98 Favored 'General case' 0 CA--C 1.513 -0.481 0 C-N-CA 119.254 -0.978 . . . . 0.0 109.757 177.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -63.94 -34.88 78.97 Favored 'General case' 0 CA--C 1.502 -0.878 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.974 178.064 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.483 ' O ' ' HB2' ' A' ' 21' ' ' LYS . . . -57.58 -51.91 67.56 Favored 'General case' 0 N--CA 1.434 -1.23 0 C-N-CA 118.587 -1.245 . . . . 0.0 109.527 -178.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.492 ' CD2' ' HG ' ' A' ' 36' ' ' LEU . 35.9 m-70 -79.25 -52.12 8.55 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 114.582 1.327 . . . . 0.0 114.582 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.45 ' OG ' ' O ' ' A' ' 25' ' ' LYS . 22.9 t -58.07 -40.77 81.85 Favored 'General case' 0 C--N 1.34 0.182 0 C-N-CA 118.78 -1.168 . . . . 0.0 108.919 -179.213 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.33 -44.0 67.58 Favored Glycine 0 C--N 1.343 0.928 0 CA-C-N 115.347 -0.842 . . . . 0.0 112.139 178.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.483 ' HB2' ' O ' ' A' ' 17' ' ' ALA . 6.2 ttpm? -59.4 -42.26 91.33 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 120.23 -0.588 . . . . 0.0 112.0 -179.372 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.445 ' C ' ' OE2' ' A' ' 32' ' ' GLU . 97.3 mt-10 -129.33 152.08 49.28 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 112.778 0.659 . . . . 0.0 112.778 179.771 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.12 -148.78 28.01 Favored Glycine 0 CA--C 1.523 0.592 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.317 177.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -71.15 139.77 50.34 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 179.3 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.45 ' O ' ' OG ' ' A' ' 19' ' ' SER . 7.5 mtmp? -61.41 -32.56 72.51 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.727 -0.67 . . . . 0.0 112.761 -178.173 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.598 ' OH ' ' CD2' ' B' ' 90' ' ' TRP . 99.0 m-85 -106.39 19.57 20.3 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 113.094 0.776 . . . . 0.0 113.094 -177.661 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.2 tptt -138.87 137.17 36.3 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 119.215 -0.994 . . . . 0.0 108.569 178.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.7 tp -110.13 130.19 55.58 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.552 -0.459 . . . . 0.0 109.806 -177.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.4 t -100.61 162.67 12.77 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.879 -178.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.3 ttpt -52.19 -47.31 65.63 Favored 'General case' 0 C--O 1.24 0.568 0 CA-C-O 121.239 0.543 . . . . 0.0 111.404 -178.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.582 ' CG ' ' N ' ' A' ' 32' ' ' GLU . 25.4 pttm -60.1 -48.44 81.7 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.958 -178.752 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.582 ' N ' ' CG ' ' A' ' 31' ' ' LYS . 93.9 mt-10 -63.61 -51.31 65.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.65 -0.704 . . . . 0.0 112.301 -178.181 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.9 pp -60.26 -36.52 77.98 Favored 'General case' 0 CA--C 1.501 -0.92 0 C-N-CA 119.223 -0.991 . . . . 0.0 110.678 -179.014 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.74 ' NZ ' HE21 ' A' ' 38' ' ' GLN . 10.9 tptp -56.16 -36.72 68.62 Favored 'General case' 0 N--CA 1.436 -1.163 0 C-N-CA 117.912 -1.515 . . . . 0.0 107.983 178.407 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.445 ' O ' ' CG2' ' A' ' 39' ' ' THR . 96.8 mt-10 -74.98 -40.33 60.76 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 179.618 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.492 ' HG ' ' CD2' ' A' ' 18' ' ' HIS . 4.0 tt -65.5 -45.43 83.61 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 120.174 -0.61 . . . . 0.0 111.058 -177.452 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.558 ' O ' ' O ' ' A' ' 41' ' ' LEU . 1.3 mm? -64.34 -44.06 92.65 Favored 'General case' 0 N--CA 1.463 0.195 0 C-N-CA 119.084 -1.046 . . . . 0.0 111.148 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.74 HE21 ' NZ ' ' A' ' 34' ' ' LYS . 97.3 mt-30 -63.87 -39.41 94.13 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.454 -0.498 . . . . 0.0 111.876 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.445 ' CG2' ' O ' ' A' ' 35' ' ' GLU . 61.8 p -72.49 -33.01 66.66 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.688 -0.405 . . . . 0.0 111.737 -179.576 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -100.86 -59.06 1.77 Allowed 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 113.239 0.829 . . . . 0.0 113.239 -179.095 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.558 ' O ' ' O ' ' A' ' 37' ' ' LEU . 56.8 mt -98.65 140.82 32.29 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 120.39 -0.524 . . . . 0.0 111.481 -179.337 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -110.69 -60.77 1.77 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.526 179.596 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.49 -39.52 93.17 Favored Glycine 0 CA--C 1.531 1.09 0 N-CA-C 114.58 0.592 . . . . 0.0 114.58 -177.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -62.56 -53.81 49.14 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 118.236 1.018 . . . . 0.0 112.815 -177.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -73.97 -38.16 64.28 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 120.26 -0.576 . . . . 0.0 111.954 178.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -59.25 -30.6 68.38 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.189 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.98 -31.87 63.39 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.79 -177.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 -96.66 116.4 29.05 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 119.445 -0.902 . . . . 0.0 109.47 179.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -63.9 -37.26 86.73 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 -178.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -71.6 142.43 49.98 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 113.164 0.802 . . . . 0.0 113.164 -177.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.0 m -72.03 -29.14 31.81 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.146 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 177.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -58.87 -24.96 62.85 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 114.279 -1.328 . . . . 0.0 109.01 177.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.24 -36.84 53.54 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 114.674 -1.148 . . . . 0.0 110.665 -178.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.497 ' CG1' ' N ' ' A' ' 55' ' ' ASP . 7.3 p -60.28 -43.7 94.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 C-N-CA 119.189 -1.004 . . . . 0.0 110.024 178.703 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.497 ' N ' ' CG1' ' A' ' 54' ' ' VAL . 91.7 m-20 -63.0 -43.94 97.39 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.415 179.58 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 57.2 mtmt -60.91 -38.31 85.26 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 119.97 -0.692 . . . . 0.0 110.345 179.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 79.5 t -64.67 -45.78 94.29 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 120.212 -0.595 . . . . 0.0 110.592 179.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -70.96 -34.71 71.71 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 -179.115 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.3 mtmt -59.43 -41.13 88.85 Favored 'General case' 0 N--CA 1.462 0.167 0 C-N-CA 119.441 -0.904 . . . . 0.0 111.796 -178.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -64.14 -40.43 96.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.491 0.662 . . . . 0.0 110.349 179.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 80.6 mt -68.57 -33.21 73.68 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.919 -1.037 . . . . 0.0 112.57 -179.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.491 ' OD1' ' OD1' ' A' ' 66' ' ' ASP . 50.7 t0 -72.89 85.99 1.27 Allowed 'General case' 0 N--CA 1.445 -0.678 0 C-N-CA 118.96 -1.096 . . . . 0.0 111.027 -177.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -63.21 -47.22 83.47 Favored 'General case' 0 CA--C 1.505 -0.769 0 CA-C-O 122.515 1.15 . . . . 0.0 111.04 176.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -59.2 -35.58 73.86 Favored 'General case' 0 C--N 1.3 -1.579 0 CA-C-N 112.758 -2.019 . . . . 0.0 111.358 -179.1 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.5 18.54 70.78 Favored Glycine 0 CA--C 1.52 0.379 0 N-CA-C 108.252 -1.939 . . . . 0.0 108.252 -177.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.526 ' O ' ' OE1' ' A' ' 68' ' ' GLU . 24.0 p-10 -86.41 1.5 51.05 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 -178.449 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 82.84 1.51 90.6 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 178.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.526 ' OE1' ' O ' ' A' ' 66' ' ' ASP . 52.7 mp0 -120.11 155.87 32.15 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-O 121.507 0.67 . . . . 0.0 112.243 179.629 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 48.7 t -108.26 132.05 57.1 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.485 0 N-CA-C 107.545 -1.279 . . . . 0.0 107.545 176.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.55 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 52.1 t0 -101.89 159.99 14.87 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.125 0.488 . . . . 0.0 111.451 -178.132 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.55 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 1.0 OUTLIER -50.16 -43.79 52.34 Favored 'General case' 0 C--O 1.217 -0.611 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.234 -178.584 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -61.76 -40.5 95.35 Favored 'General case' 0 C--O 1.246 0.874 0 C-N-CA 119.601 -0.84 . . . . 0.0 110.711 178.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -64.72 -41.92 95.62 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-O 122.207 1.003 . . . . 0.0 109.779 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -63.49 -40.82 98.09 Favored 'General case' 0 C--O 1.24 0.587 0 CA-C-N 114.671 -1.15 . . . . 0.0 110.02 178.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -60.72 -48.2 89.75 Favored 'Isoleucine or valine' 0 C--O 1.247 0.929 0 CA-C-N 113.72 -1.582 . . . . 0.0 109.974 -179.072 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 14.6 m -67.48 -34.49 68.85 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 C-N-CA 117.811 -1.556 . . . . 0.0 109.26 178.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 51.6 tp -56.14 -52.98 62.4 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 119.164 -1.014 . . . . 0.0 112.286 178.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.495 ' O ' ' OG1' ' A' ' 82' ' ' THR . 34.3 m -69.84 -35.74 66.36 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.242 0 C-N-CA 118.737 -1.185 . . . . 0.0 111.868 -178.821 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.67 -47.96 65.18 Favored 'General case' 0 C--O 1.248 1.016 0 C-N-CA 119.05 -1.06 . . . . 0.0 111.715 -179.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.33 -40.14 96.5 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 179.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.6 mp -65.37 -34.22 77.8 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 119.258 -0.977 . . . . 0.0 109.694 176.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.495 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 39.5 m -62.86 -50.2 71.87 Favored 'General case' 0 C--O 1.243 0.752 0 C-N-CA 119.793 -0.763 . . . . 0.0 111.275 179.786 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.7 p -63.9 -39.02 83.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 119.15 -1.02 . . . . 0.0 110.703 178.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.578 ' O ' ' CD1' ' A' ' 88' ' ' PHE . . . -64.93 -31.74 73.12 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 121.17 0.51 . . . . 0.0 109.838 178.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 18.1 t -67.53 -54.08 23.1 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.7 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 35.4 t30 -56.56 -41.78 77.47 Favored 'General case' 0 C--O 1.24 0.604 0 C-N-CA 118.633 -1.227 . . . . 0.0 109.089 179.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -59.77 -38.24 81.28 Favored 'General case' 0 C--O 1.22 -0.455 0 C-N-CA 120.174 -0.61 . . . . 0.0 109.398 178.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.578 ' CD1' ' O ' ' A' ' 84' ' ' ALA . 4.7 m-30 -64.46 -41.34 96.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -66.46 -55.32 16.22 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 120.13 -0.628 . . . . 0.0 111.542 -179.328 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.607 ' CD2' ' OH ' ' B' ' 26' ' ' TYR . 23.7 t-105 -64.84 -40.11 94.64 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.321 0.582 . . . . 0.0 112.313 179.411 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.54 ' O ' ' O ' ' A' ' 88' ' ' PHE . 1.3 tm-20 . . . . . 0 C--N 1.32 -0.715 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.121 -177.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 . . . . . 0 C--O 1.236 0.35 0 N-CA-C 112.74 0.644 . . . . 0.0 112.74 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 5.0 tt -63.68 -42.05 98.09 Favored 'General case' 0 C--O 1.243 0.718 0 C-N-CA 119.316 -0.954 . . . . 0.0 109.087 -178.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . 0.458 ' OE1' ' C ' ' B' ' 5' ' ' GLU . 8.6 tm-20 -63.72 -39.17 93.64 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 114.808 -1.087 . . . . 0.0 109.092 179.245 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 46.3 m -60.25 -40.16 89.31 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.089 178.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.41 -44.11 95.57 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.114 179.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 98.7 mtp -59.33 -41.16 88.46 Favored 'General case' 0 C--O 1.249 1.055 0 CA-C-O 121.852 0.834 . . . . 0.0 109.393 178.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -64.77 -36.59 84.8 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.008 178.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 49.2 m -63.58 -43.7 96.23 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 119.774 -0.77 . . . . 0.0 110.41 179.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 42.5 mt -61.76 -42.63 99.23 Favored 'General case' 0 C--O 1.24 0.562 0 C-N-CA 119.191 -1.004 . . . . 0.0 108.815 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.4 mt -62.1 -45.59 98.39 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.135 0 C-N-CA 119.81 -0.756 . . . . 0.0 111.651 178.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -61.9 -41.6 98.09 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -178.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 13.1 m -73.88 -41.16 53.59 Favored 'Isoleucine or valine' 0 C--O 1.256 1.397 0 C-N-CA 119.384 -0.926 . . . . 0.0 111.396 -179.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -60.53 -47.9 84.15 Favored 'General case' 0 CA--C 1.512 -0.496 0 C-N-CA 119.259 -0.976 . . . . 0.0 109.779 177.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -63.93 -34.93 79.09 Favored 'General case' 0 CA--C 1.501 -0.91 0 CA-C-N 115.287 -0.87 . . . . 0.0 109.882 178.033 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.477 ' O ' ' HB2' ' B' ' 21' ' ' LYS . . . -57.7 -51.84 67.88 Favored 'General case' 0 N--CA 1.435 -1.209 0 C-N-CA 118.474 -1.29 . . . . 0.0 109.561 -178.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.489 ' CD2' ' HG ' ' B' ' 36' ' ' LEU . 36.1 m-70 -79.04 -52.28 8.43 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 114.615 1.339 . . . . 0.0 114.615 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.453 ' OG ' ' O ' ' B' ' 25' ' ' LYS . 23.0 t -58.0 -40.84 81.75 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 118.789 -1.164 . . . . 0.0 108.979 -179.235 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.16 -44.22 67.59 Favored Glycine 0 C--N 1.342 0.904 0 CA-C-N 115.372 -0.831 . . . . 0.0 112.085 178.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . 0.477 ' HB2' ' O ' ' B' ' 17' ' ' ALA . 6.2 ttpm? -59.34 -42.26 91.09 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 120.199 -0.6 . . . . 0.0 111.993 -179.248 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.446 ' C ' ' OE2' ' B' ' 32' ' ' GLU . 97.3 mt-10 -129.31 152.22 49.11 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.96 -148.7 27.51 Favored Glycine 0 CA--C 1.523 0.585 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.367 177.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -71.19 139.72 50.24 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 179.316 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.453 ' O ' ' OG ' ' B' ' 19' ' ' SER . 7.5 mtmp? -61.42 -32.5 72.46 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.766 -178.193 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.607 ' OH ' ' CD2' ' A' ' 90' ' ' TRP . 99.0 m-85 -106.33 19.6 20.26 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.11 0.782 . . . . 0.0 113.11 -177.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 26.9 tptt -138.74 137.25 36.57 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 119.197 -1.001 . . . . 0.0 108.643 178.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 13.7 tp -110.18 130.21 55.58 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 120.435 -0.506 . . . . 0.0 109.759 -177.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 27.7 t -100.53 162.69 12.76 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.872 -178.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 20.3 ttpt -52.19 -47.36 65.59 Favored 'General case' 0 C--O 1.24 0.585 0 CA-C-O 121.278 0.561 . . . . 0.0 111.452 -178.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.581 ' CG ' ' N ' ' B' ' 32' ' ' GLU . 25.4 pttm -60.12 -48.41 81.83 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.932 -178.714 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.581 ' N ' ' CG ' ' B' ' 31' ' ' LYS . 93.9 mt-10 -63.56 -51.34 65.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.253 -178.174 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.9 pp -60.33 -36.48 78.06 Favored 'General case' 0 CA--C 1.5 -0.966 0 C-N-CA 119.21 -0.996 . . . . 0.0 110.703 -178.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.734 ' NZ ' HE21 ' B' ' 38' ' ' GLN . 10.9 tptp -56.13 -36.65 68.47 Favored 'General case' 0 N--CA 1.435 -1.193 0 C-N-CA 117.92 -1.512 . . . . 0.0 108.102 178.299 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . 0.446 ' O ' ' CG2' ' B' ' 39' ' ' THR . 96.8 mt-10 -74.99 -40.38 60.73 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 179.484 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.489 ' HG ' ' CD2' ' B' ' 18' ' ' HIS . 4.0 tt -65.55 -45.32 83.81 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 120.108 -0.637 . . . . 0.0 111.084 -177.458 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.546 ' O ' ' O ' ' B' ' 41' ' ' LEU . 1.3 mm? -64.34 -44.0 92.85 Favored 'General case' 0 C--N 1.34 0.195 0 C-N-CA 119.153 -1.019 . . . . 0.0 111.165 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.734 HE21 ' NZ ' ' B' ' 34' ' ' LYS . 97.3 mt-30 -63.96 -39.46 94.18 Favored 'General case' 0 C--N 1.333 -0.138 0 C-N-CA 120.508 -0.477 . . . . 0.0 111.839 179.675 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.446 ' CG2' ' O ' ' B' ' 35' ' ' GLU . 61.8 p -72.39 -33.03 66.9 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.778 -179.625 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -100.87 -59.05 1.77 Allowed 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -179.059 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.546 ' O ' ' O ' ' B' ' 37' ' ' LEU . 56.4 mt -98.61 140.81 32.27 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.181 0.515 . . . . 0.0 111.498 -179.389 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -110.67 -60.69 1.78 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.648 179.495 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.51 -39.48 93.16 Favored Glycine 0 CA--C 1.532 1.114 0 CA-C-N 115.828 -0.623 . . . . 0.0 114.556 -177.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -62.56 -53.81 49.08 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 118.172 0.986 . . . . 0.0 112.796 -177.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -73.9 -38.2 64.42 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 120.36 -0.536 . . . . 0.0 111.97 178.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -59.25 -30.58 68.38 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.279 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.0 -31.87 63.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.768 -177.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -96.76 116.38 29.05 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 119.509 -0.876 . . . . 0.0 109.471 179.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -63.81 -37.27 86.75 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 114.177 1.176 . . . . 0.0 114.177 -178.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -71.63 142.49 49.94 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 -177.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 5.0 m -72.04 -29.13 31.72 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.16 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 177.15 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -58.86 -25.08 62.97 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 114.216 -1.357 . . . . 0.0 108.968 177.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.13 -36.83 52.44 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 114.679 -1.146 . . . . 0.0 110.72 -178.1 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.504 ' CG1' ' N ' ' B' ' 55' ' ' ASP . 7.4 p -60.32 -43.68 94.18 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 C-N-CA 119.208 -0.997 . . . . 0.0 109.952 178.759 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.504 ' N ' ' CG1' ' B' ' 54' ' ' VAL . 91.7 m-20 -63.03 -43.95 97.25 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.439 179.575 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 57.2 mtmt -60.9 -38.26 85.11 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 119.958 -0.697 . . . . 0.0 110.394 179.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 79.5 t -64.65 -45.73 94.5 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 C-N-CA 120.201 -0.6 . . . . 0.0 110.644 179.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -70.97 -34.76 71.74 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 113.944 1.09 . . . . 0.0 113.944 -179.101 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 13.3 mtmt -59.39 -41.11 88.64 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 119.28 -0.968 . . . . 0.0 111.894 -178.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -64.19 -40.43 96.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.481 0.658 . . . . 0.0 110.379 179.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 80.4 mt -68.61 -32.99 73.27 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.892 -1.049 . . . . 0.0 112.634 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.479 ' OD1' ' OD1' ' B' ' 66' ' ' ASP . 50.7 t0 -73.04 86.1 1.33 Allowed 'General case' 0 N--CA 1.446 -0.653 0 C-N-CA 118.854 -1.138 . . . . 0.0 111.05 -177.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -63.23 -47.27 83.19 Favored 'General case' 0 CA--C 1.503 -0.83 0 CA-C-O 122.53 1.157 . . . . 0.0 110.991 177.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -59.17 -35.61 73.84 Favored 'General case' 0 C--N 1.3 -1.567 0 CA-C-N 112.819 -1.992 . . . . 0.0 111.348 -179.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.43 18.58 70.87 Favored Glycine 0 CA--C 1.521 0.417 0 N-CA-C 108.322 -1.911 . . . . 0.0 108.322 -177.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.518 ' O ' ' OE1' ' B' ' 68' ' ' GLU . 23.9 p-10 -86.31 1.37 51.26 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 114.956 -0.622 . . . . 0.0 112.665 -178.456 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 82.88 1.54 90.62 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 178.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.518 ' OE1' ' O ' ' B' ' 66' ' ' ASP . 52.6 mp0 -120.17 155.86 32.26 Favored 'General case' 0 C--O 1.239 0.548 0 CA-C-O 121.635 0.731 . . . . 0.0 112.202 179.605 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 48.6 t -108.17 132.02 57.05 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 176.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.548 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 50.9 t0 -101.3 160.01 14.78 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.073 0.463 . . . . 0.0 111.421 -178.08 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.548 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 1.0 OUTLIER -50.42 -43.8 54.97 Favored 'General case' 0 C--O 1.218 -0.604 0 CA-C-N 115.538 -0.756 . . . . 0.0 109.172 -178.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -61.74 -40.57 95.55 Favored 'General case' 0 C--O 1.246 0.898 0 C-N-CA 119.663 -0.815 . . . . 0.0 110.709 178.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 -64.7 -41.77 95.79 Favored 'General case' 0 C--O 1.24 0.57 0 CA-C-O 122.172 0.987 . . . . 0.0 109.875 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -63.48 -40.91 98.35 Favored 'General case' 0 C--O 1.24 0.593 0 CA-C-N 114.686 -1.143 . . . . 0.0 110.013 178.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -60.72 -48.27 89.49 Favored 'Isoleucine or valine' 0 C--O 1.247 0.951 0 CA-C-N 113.736 -1.575 . . . . 0.0 109.921 -179.01 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 14.6 m -67.49 -34.4 68.27 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.497 0 C-N-CA 117.855 -1.538 . . . . 0.0 109.262 178.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 51.5 tp -56.12 -53.02 62.08 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 119.237 -0.985 . . . . 0.0 112.263 178.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.491 ' O ' ' OG1' ' B' ' 82' ' ' THR . 34.3 m -69.94 -35.67 65.56 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.215 0 C-N-CA 118.681 -1.208 . . . . 0.0 111.851 -178.797 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.63 -48.03 65.12 Favored 'General case' 0 C--O 1.248 1.019 0 C-N-CA 119.068 -1.053 . . . . 0.0 111.701 -179.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.22 -40.2 96.8 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 179.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 5.5 mp -65.38 -34.18 77.7 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 119.219 -0.992 . . . . 0.0 109.741 176.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.491 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 39.6 m -62.84 -50.13 72.16 Favored 'General case' 0 C--O 1.244 0.814 0 C-N-CA 119.803 -0.759 . . . . 0.0 111.242 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 13.7 p -63.98 -39.11 84.26 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 119.133 -1.027 . . . . 0.0 110.626 178.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . 0.585 ' O ' ' CD1' ' B' ' 88' ' ' PHE . . . -64.89 -31.7 73.05 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-O 121.21 0.528 . . . . 0.0 109.84 178.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 18.1 t -67.53 -54.06 23.16 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.691 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -56.59 -41.8 77.6 Favored 'General case' 0 C--O 1.24 0.585 0 C-N-CA 118.588 -1.245 . . . . 0.0 109.124 179.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -59.76 -38.2 81.12 Favored 'General case' 0 C--O 1.22 -0.499 0 C-N-CA 120.187 -0.605 . . . . 0.0 109.438 178.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.585 ' CD1' ' O ' ' B' ' 84' ' ' ALA . 4.7 m-30 -64.51 -41.33 96.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -66.4 -55.39 16.04 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.183 -0.607 . . . . 0.0 111.609 -179.385 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 90' ' ' TRP . . . . . 0.598 ' CD2' ' OH ' ' A' ' 26' ' ' TYR . 23.8 t-105 -64.77 -40.14 94.79 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.261 0.553 . . . . 0.0 112.258 179.369 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . 0.53 ' O ' ' O ' ' B' ' 88' ' ' PHE . 1.3 tm-20 . . . . . 0 C--N 1.32 -0.711 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.161 -177.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 . . . . . 0 C--O 1.234 0.268 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.4 tt -62.37 -41.82 98.92 Favored 'General case' 0 C--O 1.242 0.659 0 CA-C-O 121.873 0.844 . . . . 0.0 108.755 -179.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.453 ' C ' ' OE1' ' A' ' 5' ' ' GLU . 7.9 tm-20 -63.77 -40.27 96.27 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 114.742 -1.117 . . . . 0.0 109.515 179.581 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 43.7 m -60.26 -40.12 89.21 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 178.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.38 -44.43 94.76 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.344 179.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 96.0 mtp -59.49 -41.02 88.89 Favored 'General case' 0 C--O 1.25 1.095 0 CA-C-O 121.909 0.862 . . . . 0.0 109.507 179.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.76 -35.66 81.8 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.091 -0.958 . . . . 0.0 109.991 178.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 54.1 m -64.28 -43.45 94.75 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 119.858 -0.737 . . . . 0.0 110.255 179.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 36.5 mt -61.73 -42.56 99.12 Favored 'General case' 0 C--O 1.241 0.606 0 C-N-CA 119.188 -1.005 . . . . 0.0 108.805 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.446 HG21 HD11 ' A' ' 12' ' ' ILE . 97.6 mt -62.2 -45.24 99.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 C-N-CA 119.709 -0.797 . . . . 0.0 111.576 178.56 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -61.93 -41.58 98.11 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.786 0.662 . . . . 0.0 112.786 -178.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 16.0 m -73.84 -41.37 53.87 Favored 'Isoleucine or valine' 0 C--O 1.255 1.377 0 C-N-CA 119.241 -0.984 . . . . 0.0 111.56 -179.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -59.91 -47.8 84.3 Favored 'General case' 0 CA--C 1.511 -0.522 0 C-N-CA 119.221 -0.992 . . . . 0.0 109.751 177.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -64.03 -34.71 78.63 Favored 'General case' 0 CA--C 1.502 -0.894 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.908 178.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.482 ' O ' ' HB2' ' A' ' 21' ' ' LYS . . . -57.59 -52.03 67.06 Favored 'General case' 0 N--CA 1.435 -1.182 0 C-N-CA 118.527 -1.269 . . . . 0.0 109.564 -178.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.482 ' CD2' ' HG ' ' A' ' 36' ' ' LEU . 38.0 m-70 -79.43 -51.78 8.92 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.468 ' OG ' ' O ' ' A' ' 25' ' ' LYS . 24.4 t -58.02 -40.84 81.84 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 118.823 -1.151 . . . . 0.0 108.927 -179.339 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.77 -44.65 68.81 Favored Glycine 0 C--N 1.343 0.932 0 CA-C-N 115.254 -0.885 . . . . 0.0 112.151 178.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.482 ' HB2' ' O ' ' A' ' 17' ' ' ALA . 6.3 ttpm? -59.52 -42.4 92.19 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.18 -0.608 . . . . 0.0 112.223 -179.138 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.445 ' C ' ' OE2' ' A' ' 32' ' ' GLU . 97.3 mt-10 -129.31 151.64 49.75 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.04 -148.31 32.73 Favored Glycine 0 CA--C 1.524 0.629 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.285 177.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -70.85 139.21 50.8 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 179.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.468 ' O ' ' OG ' ' A' ' 19' ' ' SER . 31.8 mtmt -61.62 -32.92 73.08 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 -177.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.596 ' OH ' ' CD2' ' B' ' 90' ' ' TRP . 95.9 m-85 -107.12 20.18 19.36 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -177.392 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.9 tptt -138.89 137.47 36.55 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 178.548 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.7 tp -111.08 126.97 55.38 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 -177.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.411 ' OG ' ' NZ ' ' A' ' 31' ' ' LYS . 97.7 p -96.84 166.91 11.4 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.699 -0.228 . . . . 0.0 110.781 -179.535 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.7 ttpt -54.44 -47.97 72.23 Favored 'General case' 0 C--O 1.242 0.66 0 CA-C-O 121.012 0.434 . . . . 0.0 112.043 -177.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.581 ' CG ' ' N ' ' A' ' 32' ' ' GLU . 26.0 pttm -60.51 -48.53 81.38 Favored 'General case' 0 N--CA 1.44 -0.93 0 C-N-CA 119.714 -0.794 . . . . 0.0 109.737 -178.475 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.581 ' N ' ' CG ' ' A' ' 31' ' ' LYS . 95.6 mt-10 -62.54 -50.25 72.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.516 -0.765 . . . . 0.0 112.529 -178.443 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.6 pp -60.86 -36.09 78.27 Favored 'General case' 0 CA--C 1.501 -0.941 0 C-N-CA 118.771 -1.172 . . . . 0.0 110.142 -179.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.593 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 10.4 tptp -56.09 -36.84 68.58 Favored 'General case' 0 N--CA 1.435 -1.186 0 C-N-CA 118.244 -1.383 . . . . 0.0 108.13 178.321 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.467 ' O ' ' CG2' ' A' ' 39' ' ' THR . 97.0 mt-10 -74.6 -40.88 61.32 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 113.076 0.769 . . . . 0.0 113.076 179.719 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.482 ' HG ' ' CD2' ' A' ' 18' ' ' HIS . 3.9 tt -65.38 -44.9 86.08 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 120.044 -0.663 . . . . 0.0 110.99 -177.316 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.556 ' O ' ' O ' ' A' ' 41' ' ' LEU . 1.4 mm? -65.02 -44.67 88.41 Favored 'General case' 0 C--N 1.342 0.243 0 C-N-CA 119.083 -1.047 . . . . 0.0 111.513 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.593 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 27.3 mt-30 -63.73 -38.98 93.13 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.381 -0.528 . . . . 0.0 111.628 179.688 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.467 ' CG2' ' O ' ' A' ' 35' ' ' GLU . 63.4 p -72.11 -32.91 67.41 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.609 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -101.34 -59.52 1.69 Allowed 'General case' 0 N--CA 1.463 0.189 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 -178.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.556 ' O ' ' O ' ' A' ' 37' ' ' LEU . 53.6 mt -99.39 142.23 31.14 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.323 0.582 . . . . 0.0 111.35 -178.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 70.4 m -108.49 -77.74 0.6 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.537 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -56.8 -36.42 72.43 Favored Glycine 0 CA--C 1.531 1.093 0 CA-C-N 115.471 -0.786 . . . . 0.0 113.92 -178.094 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -61.51 -57.01 13.83 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 118.068 0.934 . . . . 0.0 112.755 -177.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.12 -39.83 71.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.597 0.713 . . . . 0.0 109.58 -179.736 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -63.32 -29.35 70.68 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 114.684 -1.144 . . . . 0.0 112.706 179.233 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.1 -29.82 58.44 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -176.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 95.2 mm-40 -60.55 -36.81 79.35 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 119.706 -0.798 . . . . 0.0 109.355 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.524 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 94.7 mttt 60.92 38.55 17.55 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.422 -0.808 . . . . 0.0 113.079 178.582 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.524 ' OD1' ' O ' ' A' ' 49' ' ' LYS . 91.0 m-20 -141.4 149.91 41.69 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.319 178.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.2 m -72.87 -31.51 36.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.487 179.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -87.07 2.72 48.8 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.594 179.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.61 -38.23 77.56 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.443 -0.503 . . . . 0.0 110.711 -178.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.523 ' CG1' ' N ' ' A' ' 55' ' ' ASP . 7.2 p -60.17 -44.3 95.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 C-N-CA 119.721 -0.792 . . . . 0.0 110.276 179.602 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.523 ' N ' ' CG1' ' A' ' 54' ' ' VAL . 92.2 m-20 -62.61 -43.92 97.59 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.297 179.376 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.96 -40.43 95.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.882 179.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 69.4 t -65.84 -44.09 92.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.946 -0.57 . . . . 0.0 112.143 -179.253 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -69.05 -33.49 73.66 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 -178.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.7 mtmm -60.0 -41.32 91.81 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 113.283 0.845 . . . . 0.0 113.283 -178.195 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -72.22 -36.69 69.22 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 119.556 -0.858 . . . . 0.0 110.685 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.473 ' O ' ' CD ' ' A' ' 73' ' ' GLU . 88.7 mt -67.51 -33.86 75.95 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.86 179.585 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.457 ' OD1' ' OD1' ' A' ' 66' ' ' ASP . 51.8 t0 -72.43 86.72 1.15 Allowed 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 119.146 -1.022 . . . . 0.0 111.095 -178.048 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -63.18 -47.23 83.49 Favored 'General case' 0 CA--C 1.506 -0.744 0 CA-C-O 122.433 1.111 . . . . 0.0 110.878 176.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -59.36 -35.52 74.04 Favored 'General case' 0 C--N 1.3 -1.575 0 CA-C-N 112.929 -1.941 . . . . 0.0 111.31 -179.215 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.57 18.64 70.34 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 108.494 -1.842 . . . . 0.0 108.494 -178.047 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.514 ' O ' ' OE1' ' A' ' 68' ' ' GLU . 23.2 p-10 -87.12 2.04 51.08 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -178.44 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 83.93 1.56 89.76 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 178.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.514 ' OE1' ' O ' ' A' ' 66' ' ' ASP . 51.3 mp0 -120.64 156.75 31.04 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-O 121.498 0.666 . . . . 0.0 112.137 179.719 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 49.7 t -105.69 131.7 54.5 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 N-CA-C 107.178 -1.415 . . . . 0.0 107.178 176.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.543 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 51.3 t0 -101.55 160.04 14.78 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.146 0.498 . . . . 0.0 111.341 -178.256 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.543 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 1.0 OUTLIER -50.09 -43.34 51.39 Favored 'General case' 0 C--O 1.215 -0.723 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.002 -178.471 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -62.29 -40.94 97.91 Favored 'General case' 0 C--O 1.245 0.832 0 C-N-CA 119.849 -0.74 . . . . 0.0 110.999 178.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.473 ' CD ' ' O ' ' A' ' 61' ' ' LEU . 87.9 mt-10 -64.63 -41.95 95.81 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 122.304 1.05 . . . . 0.0 109.602 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -63.46 -40.72 97.87 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-N 114.409 -1.269 . . . . 0.0 109.928 178.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -60.44 -48.33 88.87 Favored 'Isoleucine or valine' 0 C--O 1.248 0.993 0 CA-C-N 113.842 -1.527 . . . . 0.0 109.871 -178.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 15.9 m -67.38 -34.59 69.74 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.585 0 C-N-CA 117.871 -1.532 . . . . 0.0 109.244 178.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 50.2 tp -56.38 -51.71 67.32 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 119.095 -1.042 . . . . 0.0 112.298 178.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.486 ' O ' ' OG1' ' A' ' 82' ' ' THR . 34.6 m -70.3 -34.97 60.67 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.358 0 C-N-CA 118.734 -1.186 . . . . 0.0 111.62 -178.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.26 -47.77 66.85 Favored 'General case' 0 C--O 1.251 1.14 0 C-N-CA 118.893 -1.123 . . . . 0.0 111.539 -179.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.51 -39.72 95.17 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.2 179.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.8 mp -65.1 -34.13 77.66 Favored 'General case' 0 C--O 1.22 -0.492 0 C-N-CA 119.239 -0.984 . . . . 0.0 109.706 176.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.486 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 31.7 m -63.14 -50.25 71.18 Favored 'General case' 0 C--O 1.245 0.847 0 C-N-CA 119.83 -0.748 . . . . 0.0 111.154 179.73 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 12.8 p -64.05 -39.66 86.28 Favored 'Isoleucine or valine' 0 C--O 1.239 0.537 0 C-N-CA 118.935 -1.106 . . . . 0.0 111.045 179.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.459 ' O ' ' CD2' ' A' ' 88' ' ' PHE . . . -64.91 -34.49 78.51 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 120.386 -0.526 . . . . 0.0 109.725 178.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 45.9 t -62.89 -54.67 35.09 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.643 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 36.8 t30 -56.24 -40.35 74.0 Favored 'General case' 0 C--O 1.238 0.496 0 C-N-CA 118.582 -1.247 . . . . 0.0 108.77 178.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.654 ' O ' ' HB2' ' A' ' 91' ' ' GLU . 86.7 m-20 -59.64 -42.17 92.16 Favored 'General case' 0 C--O 1.203 -1.388 0 C-N-CA 120.227 -0.589 . . . . 0.0 110.424 178.717 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.529 ' O ' ' O ' ' A' ' 91' ' ' GLU . 76.0 m-85 -67.03 -35.09 79.12 Favored 'General case' 0 C--N 1.31 -1.142 0 C-N-CA 117.274 -1.77 . . . . 0.0 110.592 178.709 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -64.25 -61.97 1.91 Allowed 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 119.682 -0.807 . . . . 0.0 111.715 -178.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.597 ' CD2' ' OH ' ' B' ' 26' ' ' TYR . 18.7 t-105 -70.09 -43.48 70.99 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 121.64 0.733 . . . . 0.0 111.483 178.778 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.654 ' HB2' ' O ' ' A' ' 87' ' ' ASN . 69.6 mm-40 . . . . . 0 C--N 1.321 -0.636 0 CA-C-N 114.48 -1.236 . . . . 0.0 111.609 -178.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 . . . . . 0 C--O 1.234 0.27 0 N-CA-C 111.753 0.279 . . . . 0.0 111.753 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 5.4 tt -62.4 -41.77 98.91 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.911 0.862 . . . . 0.0 108.714 -179.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . 0.457 ' OE1' ' C ' ' B' ' 5' ' ' GLU . 7.9 tm-20 -63.82 -40.37 96.45 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 114.792 -1.095 . . . . 0.0 109.456 179.561 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 43.3 m -60.25 -39.91 88.4 Favored 'General case' 0 CA--C 1.515 -0.397 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 178.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.68 -44.25 94.28 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.282 179.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 96.0 mtp -59.73 -40.96 89.79 Favored 'General case' 0 C--O 1.25 1.112 0 CA-C-O 121.822 0.82 . . . . 0.0 109.451 179.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.7 -36.37 84.06 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.874 178.095 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 52.2 m -63.47 -43.67 96.65 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 119.874 -0.73 . . . . 0.0 110.419 179.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 41.8 mt -61.7 -42.5 99.02 Favored 'General case' 0 C--O 1.24 0.56 0 C-N-CA 119.185 -1.006 . . . . 0.0 108.816 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.7 mt -62.11 -45.41 98.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.489 178.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -61.93 -41.48 97.99 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -178.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 15.9 m -73.89 -41.41 53.53 Favored 'Isoleucine or valine' 0 C--O 1.256 1.412 0 C-N-CA 119.25 -0.98 . . . . 0.0 111.494 -179.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -59.87 -47.88 83.95 Favored 'General case' 0 CA--C 1.511 -0.521 0 C-N-CA 119.308 -0.957 . . . . 0.0 109.693 177.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -63.98 -34.71 78.61 Favored 'General case' 0 CA--C 1.502 -0.887 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.934 178.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.479 ' O ' ' HB2' ' B' ' 21' ' ' LYS . . . -57.58 -52.06 66.93 Favored 'General case' 0 N--CA 1.435 -1.211 0 C-N-CA 118.521 -1.271 . . . . 0.0 109.615 -178.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.479 ' CD2' ' HG ' ' B' ' 36' ' ' LEU . 37.9 m-70 -79.22 -51.94 8.81 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 114.584 1.327 . . . . 0.0 114.584 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.457 ' OG ' ' O ' ' B' ' 25' ' ' LYS . 24.4 t -58.05 -40.87 82.02 Favored 'General case' 0 C--N 1.341 0.198 0 C-N-CA 118.814 -1.155 . . . . 0.0 108.971 -179.271 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.91 -44.42 68.42 Favored Glycine 0 C--N 1.343 0.969 0 CA-C-N 115.22 -0.9 . . . . 0.0 112.118 178.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . 0.479 ' HB2' ' O ' ' B' ' 17' ' ' ALA . 6.3 ttpm? -59.59 -42.45 92.56 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.213 -0.595 . . . . 0.0 112.23 -179.194 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.45 ' C ' ' OE2' ' B' ' 32' ' ' GLU . 97.3 mt-10 -129.27 151.64 49.71 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.93 -148.2 32.48 Favored Glycine 0 N--CA 1.465 0.588 0 CA-C-N 115.762 -0.654 . . . . 0.0 112.371 177.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -70.89 139.2 50.7 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 179.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.457 ' O ' ' OG ' ' B' ' 19' ' ' SER . 31.8 mtmt -61.52 -32.94 73.0 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 -177.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.597 ' OH ' ' CD2' ' A' ' 90' ' ' TRP . 96.0 m-85 -107.12 20.19 19.35 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 -177.346 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 33.3 tptt -138.8 137.52 36.73 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 178.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 13.6 tp -111.06 126.84 55.24 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 -177.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.439 ' OG ' ' NZ ' ' B' ' 31' ' ' LYS . 97.7 p -96.8 166.91 11.41 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.75 -0.204 . . . . 0.0 110.798 -179.555 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 20.6 ttpt -54.37 -48.04 71.95 Favored 'General case' 0 C--O 1.241 0.646 0 CA-C-O 121.124 0.488 . . . . 0.0 112.114 -177.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.577 ' CG ' ' N ' ' B' ' 32' ' ' GLU . 26.0 pttm -60.47 -48.49 81.51 Favored 'General case' 0 N--CA 1.441 -0.88 0 C-N-CA 119.743 -0.783 . . . . 0.0 109.67 -178.47 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.577 ' N ' ' CG ' ' B' ' 31' ' ' LYS . 95.5 mt-10 -62.65 -50.31 71.7 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.412 -178.367 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.6 pp -60.82 -36.11 78.22 Favored 'General case' 0 CA--C 1.5 -0.951 0 C-N-CA 118.798 -1.161 . . . . 0.0 110.138 -179.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.596 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 10.4 tptp -56.08 -36.78 68.48 Favored 'General case' 0 N--CA 1.435 -1.189 0 C-N-CA 118.244 -1.383 . . . . 0.0 108.136 178.348 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . 0.469 ' O ' ' CG2' ' B' ' 39' ' ' THR . 97.1 mt-10 -74.69 -40.92 61.1 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 179.737 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.479 ' HG ' ' CD2' ' B' ' 18' ' ' HIS . 4.0 tt -65.36 -44.81 86.45 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 120.076 -0.65 . . . . 0.0 111.073 -177.351 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.547 ' O ' ' O ' ' B' ' 41' ' ' LEU . 1.4 mm? -65.11 -44.54 88.43 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 119.043 -1.063 . . . . 0.0 111.509 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.596 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 27.3 mt-30 -63.74 -39.07 93.4 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.354 -0.538 . . . . 0.0 111.577 179.673 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.469 ' CG2' ' O ' ' B' ' 35' ' ' GLU . 63.4 p -72.1 -32.9 67.43 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.644 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -101.23 -59.62 1.67 Allowed 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 -178.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.547 ' O ' ' O ' ' B' ' 37' ' ' LEU . 53.7 mt -99.28 142.25 31.01 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 121.295 0.569 . . . . 0.0 111.331 -178.76 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 70.3 m -108.58 -77.72 0.6 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.572 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -56.8 -36.4 72.32 Favored Glycine 0 CA--C 1.531 1.044 0 CA-C-N 115.527 -0.76 . . . . 0.0 114.008 -178.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -61.55 -57.02 13.78 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 117.997 0.899 . . . . 0.0 112.737 -177.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.11 -39.79 71.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.59 0.709 . . . . 0.0 109.57 -179.778 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -63.32 -29.48 70.79 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 114.754 -1.112 . . . . 0.0 112.66 179.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.99 -29.95 58.28 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -176.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 95.1 mm-40 -60.4 -36.87 79.13 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 119.748 -0.781 . . . . 0.0 109.383 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.534 ' O ' ' OD1' ' B' ' 50' ' ' ASP . 94.7 mttt 60.95 38.55 17.45 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 115.444 -0.798 . . . . 0.0 113.049 178.593 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . 0.534 ' OD1' ' O ' ' B' ' 49' ' ' LYS . 90.9 m-20 -141.4 149.92 41.7 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.32 178.034 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 6.2 m -72.88 -31.53 36.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.481 179.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -87.12 2.76 48.77 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.588 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.63 -38.27 77.71 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.762 -178.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.526 ' CG1' ' N ' ' B' ' 55' ' ' ASP . 7.2 p -60.15 -44.24 94.78 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 C-N-CA 119.803 -0.759 . . . . 0.0 110.286 179.55 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.526 ' N ' ' CG1' ' B' ' 54' ' ' VAL . 92.2 m-20 -62.66 -43.92 97.58 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.3 179.371 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.97 -40.39 95.43 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.944 179.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 69.8 t -65.77 -44.15 93.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.881 -0.6 . . . . 0.0 112.159 -179.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -69.01 -33.45 73.66 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 -178.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 16.7 mtmm -60.09 -41.23 92.07 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 113.239 0.829 . . . . 0.0 113.239 -178.171 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -72.3 -36.61 68.98 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 119.618 -0.833 . . . . 0.0 110.663 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.474 ' O ' ' CD ' ' B' ' 73' ' ' GLU . 88.8 mt -67.66 -33.67 75.41 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.914 179.609 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.455 ' OD1' ' OD1' ' B' ' 66' ' ' ASP . 51.7 t0 -72.49 86.69 1.17 Allowed 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 119.158 -1.017 . . . . 0.0 111.161 -178.132 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -63.15 -47.22 83.64 Favored 'General case' 0 CA--C 1.506 -0.741 0 CA-C-O 122.407 1.098 . . . . 0.0 110.905 176.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -59.37 -35.52 74.06 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-N 112.835 -1.984 . . . . 0.0 111.335 -179.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.55 18.63 70.44 Favored Glycine 0 CA--C 1.52 0.374 0 N-CA-C 108.549 -1.82 . . . . 0.0 108.549 -177.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.523 ' O ' ' OE1' ' B' ' 68' ' ' GLU . 23.3 p-10 -87.09 2.08 50.9 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 -178.4 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 83.88 1.61 89.8 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 178.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.523 ' OE1' ' O ' ' B' ' 66' ' ' ASP . 51.2 mp0 -120.68 156.67 31.26 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-O 121.528 0.68 . . . . 0.0 112.191 179.703 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 49.0 t -105.53 131.63 54.44 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 N-CA-C 107.308 -1.367 . . . . 0.0 107.308 176.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.544 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 50.2 t0 -101.06 159.94 14.8 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.117 0.484 . . . . 0.0 111.277 -178.177 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.544 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 1.0 OUTLIER -50.21 -43.44 52.74 Favored 'General case' 0 C--O 1.215 -0.744 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 -178.873 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -62.11 -41.04 97.83 Favored 'General case' 0 C--O 1.245 0.835 0 C-N-CA 119.908 -0.717 . . . . 0.0 110.98 178.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.474 ' CD ' ' O ' ' B' ' 61' ' ' LEU . 87.9 mt-10 -64.63 -41.91 95.85 Favored 'General case' 0 C--O 1.241 0.623 0 CA-C-O 122.302 1.049 . . . . 0.0 109.628 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -63.5 -40.64 97.61 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-N 114.374 -1.285 . . . . 0.0 110.034 178.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -60.45 -48.37 88.69 Favored 'Isoleucine or valine' 0 C--O 1.248 0.992 0 CA-C-N 113.813 -1.54 . . . . 0.0 109.885 -178.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 15.8 m -67.37 -34.53 69.45 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.512 0 C-N-CA 117.798 -1.561 . . . . 0.0 109.218 178.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 49.6 tp -56.49 -51.67 67.63 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 119.105 -1.038 . . . . 0.0 112.268 178.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.48 ' O ' ' OG1' ' B' ' 82' ' ' THR . 34.6 m -70.31 -34.93 60.47 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.344 0 C-N-CA 118.69 -1.204 . . . . 0.0 111.701 -178.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.1 -47.98 66.72 Favored 'General case' 0 C--O 1.25 1.116 0 C-N-CA 118.969 -1.093 . . . . 0.0 111.53 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.39 -39.82 95.56 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.199 179.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 5.7 mp -65.02 -34.29 78.08 Favored 'General case' 0 C--O 1.219 -0.505 0 C-N-CA 119.166 -1.014 . . . . 0.0 109.687 176.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.48 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 31.4 m -62.91 -50.27 71.53 Favored 'General case' 0 C--O 1.246 0.89 0 C-N-CA 119.795 -0.762 . . . . 0.0 111.176 179.764 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 12.8 p -64.09 -39.65 86.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 C-N-CA 118.91 -1.116 . . . . 0.0 111.015 179.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . 0.46 ' O ' ' CD2' ' B' ' 88' ' ' PHE . . . -64.88 -34.41 78.32 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 120.282 -0.567 . . . . 0.0 109.79 178.781 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 46.1 t -62.85 -54.85 32.5 Favored 'General case' 0 CA--C 1.509 -0.621 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.574 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 36.9 t30 -56.14 -40.38 73.73 Favored 'General case' 0 C--O 1.239 0.518 0 C-N-CA 118.57 -1.252 . . . . 0.0 108.834 179.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . 0.644 ' O ' ' HB2' ' B' ' 91' ' ' GLU . 86.4 m-20 -59.63 -42.16 92.1 Favored 'General case' 0 C--O 1.202 -1.425 0 C-N-CA 120.183 -0.607 . . . . 0.0 110.486 178.702 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.533 ' O ' ' O ' ' B' ' 91' ' ' GLU . 75.9 m-85 -67.06 -35.07 79.05 Favored 'General case' 0 C--N 1.31 -1.129 0 C-N-CA 117.217 -1.793 . . . . 0.0 110.588 178.704 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -64.17 -62.03 1.88 Allowed 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 119.689 -0.805 . . . . 0.0 111.78 -178.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 90' ' ' TRP . . . . . 0.596 ' CD2' ' OH ' ' A' ' 26' ' ' TYR . 18.8 t-105 -69.98 -43.52 71.28 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.765 0.793 . . . . 0.0 111.544 178.705 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . 0.644 ' HB2' ' O ' ' B' ' 87' ' ' ASN . 69.6 mm-40 . . . . . 0 C--N 1.322 -0.589 0 CA-C-N 114.42 -1.264 . . . . 0.0 111.637 -178.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.498 ' N ' ' OE1' ' B' ' 40' ' ' GLU . 97.8 mt-10 . . . . . 0 C--O 1.234 0.284 0 CA-C-O 120.573 0.225 . . . . 0.0 111.167 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.525 ' CD1' ' OH ' ' B' ' 74' ' ' TYR . 4.5 tt -61.34 -39.7 91.55 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.456 ' C ' ' OE1' ' A' ' 5' ' ' GLU . 8.0 tm-20 -62.45 -40.51 96.84 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 114.96 -1.018 . . . . 0.0 109.318 179.062 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.8 m -60.08 -39.65 86.82 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 178.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.83 -43.46 98.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.078 -0.964 . . . . 0.0 109.851 179.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 98.0 mtp -59.59 -41.28 89.91 Favored 'General case' 0 C--O 1.249 1.061 0 CA-C-O 121.971 0.891 . . . . 0.0 109.365 179.098 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -64.81 -36.04 83.05 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.191 178.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 48.6 m -64.47 -43.3 94.65 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 119.875 -0.73 . . . . 0.0 110.206 179.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 37.9 mt -61.71 -42.82 99.45 Favored 'General case' 0 C--O 1.242 0.664 0 C-N-CA 119.125 -1.03 . . . . 0.0 108.959 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.452 HD13 HG23 ' A' ' 12' ' ' ILE . 98.4 mt -62.09 -46.05 97.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 C-N-CA 119.733 -0.787 . . . . 0.0 111.427 178.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -61.71 -41.4 97.56 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 -179.016 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.4 m -73.48 -41.17 56.39 Favored 'Isoleucine or valine' 0 C--O 1.251 1.176 0 C-N-CA 119.326 -0.95 . . . . 0.0 111.583 -179.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -60.04 -47.92 83.86 Favored 'General case' 0 CA--C 1.512 -0.514 0 C-N-CA 118.912 -1.115 . . . . 0.0 109.837 177.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -63.25 -35.95 82.03 Favored 'General case' 0 CA--C 1.502 -0.893 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.006 178.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.525 ' O ' ' HB2' ' A' ' 21' ' ' LYS . . . -57.27 -51.44 69.34 Favored 'General case' 0 N--CA 1.437 -1.116 0 C-N-CA 118.86 -1.136 . . . . 0.0 109.768 -178.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.448 ' ND1' ' HG ' ' A' ' 36' ' ' LEU . 45.4 m80 -78.96 -52.97 7.53 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 114.618 1.34 . . . . 0.0 114.618 -179.69 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.482 ' OG ' ' O ' ' A' ' 25' ' ' LYS . 21.3 t -57.97 -42.97 86.18 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 118.392 -1.323 . . . . 0.0 108.909 -178.778 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.91 -45.96 78.41 Favored Glycine 0 C--N 1.345 1.074 0 O-C-N 124.259 0.975 . . . . 0.0 112.414 178.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.525 ' HB2' ' O ' ' A' ' 17' ' ' ALA . 6.4 ttpm? -59.97 -41.79 92.75 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 -178.717 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.476 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 77.4 mm-40 -128.75 149.4 50.72 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 -179.464 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.82 -132.8 52.39 Favored Glycine 0 CA--C 1.523 0.548 0 CA-C-N 114.986 -1.006 . . . . 0.0 113.442 176.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -80.17 125.43 29.82 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-N 114.643 -0.778 . . . . 0.0 109.818 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.482 ' O ' ' OG ' ' A' ' 19' ' ' SER . 33.0 mtmt -58.0 -32.16 67.64 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.346 -0.843 . . . . 0.0 113.087 -177.275 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.608 ' OH ' ' CE2' ' B' ' 90' ' ' TRP . 83.9 m-85 -105.53 18.01 22.92 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 -177.272 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.2 tptt -142.21 139.72 32.09 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 119.719 -0.792 . . . . 0.0 109.254 178.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.7 tp -106.82 128.82 54.59 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 -178.048 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 96.6 p -102.36 166.43 10.56 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.559 -0.292 . . . . 0.0 111.088 -178.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.3 ttpt -53.84 -48.27 70.13 Favored 'General case' 0 C--O 1.24 0.567 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -177.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.594 ' CG ' ' N ' ' A' ' 32' ' ' GLU . 56.1 pttt -60.38 -48.28 82.42 Favored 'General case' 0 N--CA 1.441 -0.908 0 C-N-CA 119.827 -0.749 . . . . 0.0 109.615 -178.321 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.594 ' N ' ' CG ' ' A' ' 31' ' ' LYS . 95.3 mt-10 -63.08 -50.4 70.72 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.34 -0.845 . . . . 0.0 112.487 -178.294 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.1 -36.05 78.65 Favored 'General case' 0 CA--C 1.5 -0.98 0 C-N-CA 118.465 -1.294 . . . . 0.0 110.138 -179.558 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.727 ' NZ ' HE21 ' A' ' 38' ' ' GLN . 13.2 tptp -56.02 -36.46 67.98 Favored 'General case' 0 N--CA 1.433 -1.308 0 C-N-CA 118.174 -1.41 . . . . 0.0 108.149 178.569 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.462 ' O ' ' CG2' ' A' ' 39' ' ' THR . 97.3 mt-10 -74.54 -41.18 61.04 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 179.236 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.448 ' HG ' ' ND1' ' A' ' 18' ' ' HIS . 4.2 tt -65.96 -44.97 83.43 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 119.875 -0.73 . . . . 0.0 111.392 -176.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.569 ' O ' ' O ' ' A' ' 41' ' ' LEU . 1.2 mm? -64.41 -43.12 95.4 Favored 'General case' 0 C--O 1.226 -0.175 0 C-N-CA 118.729 -1.189 . . . . 0.0 110.836 179.666 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.727 HE21 ' NZ ' ' A' ' 34' ' ' LYS . 97.5 mt-30 -62.94 -38.87 92.77 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 120.315 -0.554 . . . . 0.0 111.28 179.27 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.462 ' CG2' ' O ' ' A' ' 35' ' ' GLU . 57.9 p -71.05 -33.44 70.28 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.507 -0.477 . . . . 0.0 111.556 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.498 ' OE1' ' N ' ' B' ' 3' ' ' GLU . 78.3 mm-40 -102.12 -59.46 1.7 Allowed 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 -179.051 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.569 ' O ' ' O ' ' A' ' 37' ' ' LEU . 42.3 mt -99.22 141.71 31.65 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.363 0.601 . . . . 0.0 111.5 -178.572 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.47 ' OG ' ' N ' ' A' ' 43' ' ' GLY . 27.3 p -114.61 -61.43 1.75 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.491 179.474 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.47 ' N ' ' OG ' ' A' ' 42' ' ' SER . . . -58.86 -39.27 93.72 Favored Glycine 0 CA--C 1.532 1.128 0 CA-C-N 115.86 -0.609 . . . . 0.0 114.017 -178.235 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -61.72 -51.95 66.27 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 117.925 0.862 . . . . 0.0 112.284 -178.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -73.32 -40.8 64.18 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 120.157 -0.617 . . . . 0.0 111.034 178.368 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -61.59 -33.56 74.1 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.581 -0.736 . . . . 0.0 112.026 -179.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.53 -34.91 71.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.278 -0.419 . . . . 0.0 112.038 -177.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.532 ' C ' ' H ' ' A' ' 50' ' ' ASP . 93.9 mm-40 -61.63 -34.37 75.55 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.184 -0.607 . . . . 0.0 109.748 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 49.2 tttp 66.91 -31.11 0.16 Allowed 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.925 179.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.532 ' H ' ' C ' ' A' ' 48' ' ' GLN . 88.2 m-20 -70.76 142.65 51.39 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.345 -0.542 . . . . 0.0 111.199 -179.767 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.7 m -72.86 -29.63 30.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.671 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -86.48 5.12 36.77 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.323 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.76 -38.6 75.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.905 -178.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.529 ' CG1' ' N ' ' A' ' 55' ' ' ASP . 7.2 p -59.72 -43.94 92.61 Favored 'Isoleucine or valine' 0 C--O 1.239 0.549 0 C-N-CA 119.848 -0.741 . . . . 0.0 109.97 179.242 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.529 ' N ' ' CG1' ' A' ' 54' ' ' VAL . 91.5 m-20 -61.66 -43.05 99.6 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.909 179.116 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -61.7 -38.9 89.56 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.301 178.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 79.0 t -64.88 -44.47 96.23 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.752 -179.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.531 ' CE ' ' O ' ' A' ' 67' ' ' GLY . 0.0 OUTLIER -68.38 -33.11 73.66 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 -178.868 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.606 ' CB ' ' NZ ' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -59.38 -41.6 89.75 Favored 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 -177.597 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -73.3 -37.03 66.36 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 119.681 -0.807 . . . . 0.0 110.987 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.437 ' O ' ' CD ' ' A' ' 73' ' ' GLU . 87.2 mt -67.79 -33.98 75.89 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-N 115.929 -0.578 . . . . 0.0 112.466 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.5 ' OD1' ' OD1' ' A' ' 66' ' ' ASP . 43.8 t0 -75.79 91.82 2.99 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 118.73 -1.188 . . . . 0.0 111.958 -177.612 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 -65.8 -46.29 79.23 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 122.702 1.239 . . . . 0.0 110.914 176.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 31.4 m120 -59.18 -34.87 72.63 Favored 'General case' 0 C--N 1.299 -1.616 0 CA-C-N 112.263 -2.244 . . . . 0.0 113.036 -178.08 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.443 ' C ' ' OD2' ' A' ' 62' ' ' ASP . . . 89.42 4.21 74.05 Favored Glycine 0 CA--C 1.529 0.934 0 N-CA-C 108.107 -1.997 . . . . 0.0 108.107 -176.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.65 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 49.3 p30 -61.8 -32.13 72.4 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 114.034 -1.083 . . . . 0.0 112.933 -179.669 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.65 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 98.91 -4.1 59.0 Favored Glycine 0 CA--C 1.521 0.456 0 N-CA-C 109.133 -1.587 . . . . 0.0 109.133 -178.407 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.49 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 54.2 mp0 -112.9 156.48 22.89 Favored 'General case' 0 C--O 1.242 0.683 0 CA-C-N 114.468 -0.866 . . . . 0.0 111.057 178.478 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 53.1 t -104.27 132.37 50.98 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 CA-C-N 115.018 -0.992 . . . . 0.0 108.711 177.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -99.18 159.28 15.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.066 0.46 . . . . 0.0 111.121 -178.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -50.6 -44.34 56.95 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.693 -178.203 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -61.73 -40.48 95.22 Favored 'General case' 0 C--O 1.244 0.778 0 C-N-CA 119.742 -0.783 . . . . 0.0 110.836 178.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.437 ' CD ' ' O ' ' A' ' 61' ' ' LEU . 92.5 mt-10 -65.03 -41.5 95.19 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-O 122.125 0.964 . . . . 0.0 109.903 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.527 ' OH ' ' CD1' ' B' ' 4' ' ' LEU . 59.3 t80 -63.65 -40.87 97.94 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 114.588 -1.187 . . . . 0.0 109.902 178.766 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -61.4 -48.64 87.94 Favored 'Isoleucine or valine' 0 C--O 1.247 0.946 0 CA-C-N 113.77 -1.559 . . . . 0.0 110.258 -179.179 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 13.4 m -67.51 -34.42 68.29 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 C-N-CA 118.117 -1.433 . . . . 0.0 109.277 178.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 53.9 tp -56.7 -53.04 62.29 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 119.365 -0.934 . . . . 0.0 112.291 178.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.485 ' O ' ' OG1' ' A' ' 82' ' ' THR . 31.9 m -70.24 -35.82 64.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 118.777 -1.169 . . . . 0.0 111.916 -178.754 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.86 -48.36 63.64 Favored 'General case' 0 C--O 1.249 1.079 0 C-N-CA 119.077 -1.049 . . . . 0.0 111.728 -179.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.07 -40.22 97.02 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 179.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.6 mp -65.39 -33.96 77.19 Favored 'General case' 0 C--O 1.218 -0.569 0 C-N-CA 119.292 -0.963 . . . . 0.0 109.767 176.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.485 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 39.2 m -63.05 -49.86 72.89 Favored 'General case' 0 C--O 1.245 0.829 0 C-N-CA 119.605 -0.838 . . . . 0.0 111.306 179.719 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.3 p -64.12 -39.21 84.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 118.946 -1.102 . . . . 0.0 110.69 178.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.45 -29.9 70.63 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 121.052 0.454 . . . . 0.0 109.818 178.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 47.6 t -68.38 -54.49 16.91 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.506 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -56.13 -41.26 75.06 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 118.666 -1.214 . . . . 0.0 108.703 178.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -59.73 -38.0 80.47 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.961 178.061 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.528 ' O ' ' O ' ' A' ' 91' ' ' GLU . 67.6 t80 -63.71 -46.27 86.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.282 179.776 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -65.63 -54.25 30.24 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.412 -0.515 . . . . 0.0 112.099 -178.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.61 ' CE2' ' OH ' ' B' ' 26' ' ' TYR . 23.9 t-105 -65.07 -41.27 95.22 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-O 121.218 0.532 . . . . 0.0 112.369 179.81 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.528 ' O ' ' O ' ' A' ' 88' ' ' PHE . 1.3 tm-20 . . . . . 0 C--N 1.323 -0.58 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.961 -177.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . 0.498 ' N ' ' OE1' ' A' ' 40' ' ' GLU . 97.7 mt-10 . . . . . 0 C--O 1.234 0.261 0 CA-C-O 120.546 0.213 . . . . 0.0 111.153 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.527 ' CD1' ' OH ' ' A' ' 74' ' ' TYR . 4.5 tt -61.32 -39.72 91.54 Favored 'General case' 0 C--O 1.238 0.467 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . 0.457 ' OE1' ' C ' ' B' ' 5' ' ' GLU . 8.0 tm-20 -62.41 -40.52 96.79 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 114.935 -1.03 . . . . 0.0 109.314 179.09 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 45.2 m -60.11 -39.58 86.68 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 178.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.83 -43.4 98.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.92 179.373 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 97.8 mtp -59.64 -41.34 90.3 Favored 'General case' 0 C--O 1.248 0.996 0 CA-C-O 121.906 0.86 . . . . 0.0 109.432 179.016 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -64.69 -36.78 85.38 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.128 178.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 45.5 m -63.63 -43.52 96.59 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 119.817 -0.753 . . . . 0.0 110.386 179.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 43.8 mt -61.9 -42.66 99.34 Favored 'General case' 0 C--O 1.242 0.673 0 C-N-CA 119.16 -1.016 . . . . 0.0 108.834 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 98.4 mt -61.97 -46.14 97.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 C-N-CA 119.697 -0.801 . . . . 0.0 111.465 178.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -61.65 -41.51 97.62 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 -178.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 14.3 m -73.41 -41.19 56.91 Favored 'Isoleucine or valine' 0 C--O 1.252 1.187 0 C-N-CA 119.217 -0.993 . . . . 0.0 111.6 -179.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 92.6 t80 -59.94 -47.99 83.53 Favored 'General case' 0 CA--C 1.51 -0.562 0 C-N-CA 118.974 -1.09 . . . . 0.0 109.848 177.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -63.31 -35.86 81.76 Favored 'General case' 0 CA--C 1.502 -0.887 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.97 178.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.529 ' O ' ' HB2' ' B' ' 21' ' ' LYS . . . -57.26 -51.45 69.3 Favored 'General case' 0 N--CA 1.435 -1.198 0 C-N-CA 118.902 -1.119 . . . . 0.0 109.865 -178.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.438 ' ND1' ' HG ' ' B' ' 36' ' ' LEU . 45.0 m80 -78.77 -53.17 7.4 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 114.595 1.332 . . . . 0.0 114.595 -179.728 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.486 ' OG ' ' O ' ' B' ' 25' ' ' LYS . 21.1 t -57.96 -42.94 86.02 Favored 'General case' 0 CA--C 1.52 -0.197 0 C-N-CA 118.477 -1.289 . . . . 0.0 108.982 -178.803 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.07 -45.87 78.12 Favored Glycine 0 C--N 1.346 1.088 0 O-C-N 124.23 0.956 . . . . 0.0 112.426 178.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . 0.529 ' HB2' ' O ' ' B' ' 17' ' ' ALA . 6.4 ttpm? -60.04 -41.65 92.74 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 -178.775 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.488 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 77.3 mm-40 -128.82 149.49 50.72 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 113.747 1.017 . . . . 0.0 113.747 -179.52 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.7 -132.8 52.14 Favored Glycine 0 CA--C 1.524 0.621 0 CA-C-N 114.952 -1.022 . . . . 0.0 113.346 176.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -80.12 125.43 29.8 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 114.629 -0.786 . . . . 0.0 109.862 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.486 ' O ' ' OG ' ' B' ' 19' ' ' SER . 32.9 mtmt -58.07 -32.06 67.67 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.354 -0.839 . . . . 0.0 113.095 -177.222 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.61 ' OH ' ' CE2' ' A' ' 90' ' ' TRP . 84.0 m-85 -105.52 17.97 22.98 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.921 0.712 . . . . 0.0 112.921 -177.323 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 39.7 tptt -142.1 139.87 32.33 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 119.687 -0.805 . . . . 0.0 109.339 178.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 17.5 tp -106.95 128.88 54.72 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 -178.094 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 96.4 p -102.45 166.44 10.54 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.064 -178.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 22.3 ttpt -53.82 -48.38 69.96 Favored 'General case' 0 C--O 1.24 0.557 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -177.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.59 ' CG ' ' N ' ' B' ' 32' ' ' GLU . 56.0 pttt -60.37 -48.17 82.92 Favored 'General case' 0 N--CA 1.44 -0.929 0 C-N-CA 119.706 -0.798 . . . . 0.0 109.706 -178.354 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.59 ' N ' ' CG ' ' B' ' 31' ' ' LYS . 95.2 mt-10 -63.05 -50.41 70.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.321 -0.854 . . . . 0.0 112.476 -178.374 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.06 -36.09 78.67 Favored 'General case' 0 CA--C 1.499 -1.007 0 C-N-CA 118.448 -1.301 . . . . 0.0 110.142 -179.522 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.735 ' NZ ' HE21 ' B' ' 38' ' ' GLN . 13.2 tptp -56.0 -36.45 67.93 Favored 'General case' 0 N--CA 1.434 -1.25 0 C-N-CA 118.208 -1.397 . . . . 0.0 108.085 178.626 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . 0.462 ' O ' ' CG2' ' B' ' 39' ' ' THR . 97.4 mt-10 -74.59 -41.18 60.93 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 179.336 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.438 ' HG ' ' ND1' ' B' ' 18' ' ' HIS . 4.2 tt -65.91 -44.96 83.67 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 119.866 -0.733 . . . . 0.0 111.475 -176.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.57 ' O ' ' O ' ' B' ' 41' ' ' LEU . 1.2 mm? -64.46 -43.1 95.28 Favored 'General case' 0 CA--C 1.52 -0.196 0 C-N-CA 118.728 -1.189 . . . . 0.0 110.752 179.63 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.735 HE21 ' NZ ' ' B' ' 34' ' ' LYS . 97.6 mt-30 -63.02 -38.83 92.76 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.357 -0.537 . . . . 0.0 111.206 179.373 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.462 ' CG2' ' O ' ' B' ' 35' ' ' GLU . 58.8 p -71.06 -33.4 70.23 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.533 -0.467 . . . . 0.0 111.633 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.498 ' OE1' ' N ' ' A' ' 3' ' ' GLU . 78.4 mm-40 -102.21 -59.37 1.71 Allowed 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 -179.07 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.57 ' O ' ' O ' ' B' ' 37' ' ' LEU . 42.6 mt -99.2 141.61 31.75 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.253 0.549 . . . . 0.0 111.594 -178.615 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.473 ' OG ' ' N ' ' B' ' 43' ' ' GLY . 27.5 p -114.57 -61.36 1.76 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.496 179.504 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . 0.473 ' N ' ' OG ' ' B' ' 42' ' ' SER . . . -58.91 -39.34 93.91 Favored Glycine 0 CA--C 1.531 1.079 0 CA-C-N 115.872 -0.604 . . . . 0.0 113.983 -178.213 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -61.66 -51.95 66.33 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 117.976 0.888 . . . . 0.0 112.337 -178.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -73.27 -40.85 64.26 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 120.155 -0.618 . . . . 0.0 111.042 178.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -61.51 -33.59 74.07 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.622 -0.717 . . . . 0.0 112.088 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.48 -34.95 71.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 112.05 -177.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.534 ' C ' ' H ' ' B' ' 50' ' ' ASP . 93.9 mm-40 -61.69 -34.32 75.54 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.133 -0.627 . . . . 0.0 109.744 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 49.2 tttp 66.84 -31.03 0.16 Allowed 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.93 179.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . 0.534 ' H ' ' C ' ' B' ' 48' ' ' GLN . 87.8 m-20 -70.75 142.51 51.41 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.406 -0.518 . . . . 0.0 111.223 -179.816 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 4.7 m -72.75 -29.66 30.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.629 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -86.5 5.13 36.84 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.276 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.71 -38.77 75.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.86 -178.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.527 ' CG1' ' N ' ' B' ' 55' ' ' ASP . 7.0 p -59.65 -43.87 92.22 Favored 'Isoleucine or valine' 0 C--O 1.239 0.538 0 C-N-CA 119.808 -0.757 . . . . 0.0 109.994 179.277 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.527 ' N ' ' CG1' ' B' ' 54' ' ' VAL . 91.6 m-20 -61.71 -42.98 99.67 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.873 179.131 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -61.68 -38.99 89.84 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.349 178.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 79.0 t -64.9 -44.33 96.21 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.832 -179.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' MET . . . . . 0.53 ' CE ' ' O ' ' B' ' 67' ' ' GLY . 0.0 OUTLIER -68.45 -33.07 73.54 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 113.742 1.016 . . . . 0.0 113.742 -178.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . 0.606 ' CB ' ' NZ ' ' B' ' 59' ' ' LYS . 0.1 OUTLIER -59.34 -41.7 89.8 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -177.645 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -73.22 -37.02 66.57 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 119.716 -0.794 . . . . 0.0 111.061 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.438 ' O ' ' CD ' ' B' ' 73' ' ' GLU . 87.0 mt -67.72 -34.09 76.16 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 115.897 -0.592 . . . . 0.0 112.446 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.495 ' OD1' ' OD1' ' B' ' 66' ' ' ASP . 43.9 t0 -75.7 91.75 2.93 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 118.734 -1.186 . . . . 0.0 112.041 -177.618 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -65.67 -46.35 79.42 Favored 'General case' 0 CA--C 1.509 -0.634 0 CA-C-O 122.82 1.295 . . . . 0.0 110.99 176.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 31.4 m120 -59.18 -34.88 72.65 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-N 112.182 -2.281 . . . . 0.0 113.006 -178.049 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.443 ' C ' ' OD2' ' B' ' 62' ' ' ASP . . . 89.45 4.18 73.98 Favored Glycine 0 CA--C 1.528 0.89 0 N-CA-C 108.18 -1.968 . . . . 0.0 108.18 -176.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.647 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 49.7 p30 -61.73 -32.13 72.34 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 113.958 -1.121 . . . . 0.0 112.919 -179.675 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.647 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 98.85 -4.02 59.08 Favored Glycine 0 CA--C 1.521 0.417 0 N-CA-C 109.185 -1.566 . . . . 0.0 109.185 -178.332 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.469 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 54.2 mp0 -112.98 156.52 22.89 Favored 'General case' 0 C--O 1.243 0.717 0 CA-C-N 114.458 -0.871 . . . . 0.0 111.164 178.456 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 54.2 t -104.36 132.53 50.74 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 CA-C-N 115.08 -0.964 . . . . 0.0 108.626 178.081 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -98.9 159.2 15.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.072 0.463 . . . . 0.0 111.024 -178.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -50.71 -44.33 58.02 Favored 'General case' 0 C--O 1.22 -0.485 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.633 -178.473 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -61.73 -40.51 95.31 Favored 'General case' 0 C--O 1.244 0.791 0 C-N-CA 119.784 -0.766 . . . . 0.0 110.824 178.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.438 ' CD ' ' O ' ' B' ' 61' ' ' LEU . 92.7 mt-10 -64.99 -41.53 95.31 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-O 122.164 0.983 . . . . 0.0 109.931 179.791 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . 0.525 ' OH ' ' CD1' ' A' ' 4' ' ' LEU . 59.1 t80 -63.56 -40.98 98.37 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-N 114.518 -1.219 . . . . 0.0 109.913 178.734 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -61.47 -48.59 88.13 Favored 'Isoleucine or valine' 0 C--O 1.247 0.961 0 CA-C-N 113.708 -1.587 . . . . 0.0 110.27 -179.154 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 13.3 m -67.49 -34.45 68.56 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 C-N-CA 118.093 -1.443 . . . . 0.0 109.241 178.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 54.0 tp -56.66 -52.99 62.79 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 119.415 -0.914 . . . . 0.0 112.293 178.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.495 ' O ' ' OG1' ' B' ' 82' ' ' THR . 31.9 m -70.34 -35.71 63.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 C-N-CA 118.832 -1.147 . . . . 0.0 111.945 -178.79 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.96 -48.31 63.5 Favored 'General case' 0 C--O 1.249 1.053 0 C-N-CA 118.983 -1.087 . . . . 0.0 111.718 -179.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.09 -40.26 97.14 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 179.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 5.5 mp -65.34 -34.01 77.32 Favored 'General case' 0 C--O 1.218 -0.569 0 C-N-CA 119.237 -0.985 . . . . 0.0 109.77 176.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.495 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 39.3 m -62.98 -49.82 73.18 Favored 'General case' 0 C--O 1.244 0.771 0 C-N-CA 119.633 -0.827 . . . . 0.0 111.298 179.762 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 13.4 p -64.16 -39.23 84.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 C-N-CA 118.976 -1.09 . . . . 0.0 110.693 178.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.51 -29.74 70.42 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 121.116 0.484 . . . . 0.0 109.869 178.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 47.5 t -68.45 -54.49 16.67 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.554 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -56.16 -41.25 75.15 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 118.669 -1.213 . . . . 0.0 108.699 178.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -59.73 -37.98 80.45 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.955 178.112 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.518 ' O ' ' O ' ' B' ' 91' ' ' GLU . 67.7 t80 -63.81 -46.21 86.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.213 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -65.66 -54.27 29.83 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.431 -0.507 . . . . 0.0 112.028 -178.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 90' ' ' TRP . . . . . 0.608 ' CE2' ' OH ' ' A' ' 26' ' ' TYR . 23.8 t-105 -65.14 -41.19 95.0 Favored 'General case' 0 CA--C 1.52 -0.197 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . 0.518 ' O ' ' O ' ' B' ' 88' ' ' PHE . 1.3 tm-20 . . . . . 0 C--N 1.322 -0.611 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.914 -177.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 . . . . . 0 C--O 1.237 0.427 0 N-CA-C 113.472 0.916 . . . . 0.0 113.472 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.1 tt -63.98 -42.43 97.24 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 118.069 -1.453 . . . . 0.0 107.89 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.401 ' OE2' ' CD2' ' B' ' 41' ' ' LEU . 72.0 mm-40 -66.15 -36.62 83.6 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.673 177.535 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 44.7 m -59.19 -42.07 90.02 Favored 'General case' 0 C--O 1.239 0.527 0 C-N-CA 119.475 -0.89 . . . . 0.0 108.925 179.241 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.31 -45.69 86.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.322 179.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 99.4 mtp -59.71 -41.02 89.9 Favored 'General case' 0 C--O 1.244 0.804 0 CA-C-O 121.453 0.644 . . . . 0.0 110.123 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -64.79 -36.62 84.9 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.731 177.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 55.3 m -63.64 -42.21 98.16 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 119.49 -0.884 . . . . 0.0 109.871 178.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 38.0 mt -59.55 -43.05 93.66 Favored 'General case' 0 C--O 1.24 0.566 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 98.3 mt -61.86 -45.49 98.58 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.12 0 CA-C-N 115.009 -0.996 . . . . 0.0 111.819 178.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -61.39 -41.34 96.95 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.551 0.575 . . . . 0.0 112.551 -178.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 16.0 m -72.81 -38.64 57.91 Favored 'Isoleucine or valine' 0 C--O 1.256 1.426 0 C-N-CA 118.701 -1.2 . . . . 0.0 110.107 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.549 ' O ' ' HD2' ' A' ' 18' ' ' HIS . 89.1 t80 -60.94 -42.7 98.73 Favored 'General case' 0 C--N 1.349 0.563 0 CA-C-O 122.119 0.961 . . . . 0.0 110.131 177.144 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -67.57 -33.84 75.84 Favored 'General case' 0 N--CA 1.435 -1.219 0 C-N-CA 119.65 -0.82 . . . . 0.0 109.199 177.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.497 ' O ' ' HB2' ' A' ' 21' ' ' LYS . . . -59.63 -51.13 71.15 Favored 'General case' 0 N--CA 1.437 -1.121 0 C-N-CA 118.795 -1.162 . . . . 0.0 111.079 -178.697 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.588 ' CD2' ' H ' ' A' ' 19' ' ' SER . 0.5 OUTLIER -80.76 -49.11 11.57 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 117.127 -1.829 . . . . 0.0 113.753 179.864 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.588 ' H ' ' CD2' ' A' ' 18' ' ' HIS . 22.9 t -60.86 -41.0 95.06 Favored 'General case' 0 C--N 1.35 0.61 0 C-N-CA 118.318 -1.353 . . . . 0.0 109.542 -179.54 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.21 -45.18 62.56 Favored Glycine 0 C--N 1.343 0.937 0 O-C-N 123.976 0.798 . . . . 0.0 112.086 178.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.497 ' HB2' ' O ' ' A' ' 17' ' ' ALA . 6.1 ttpm? -59.43 -41.87 90.55 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.225 -0.59 . . . . 0.0 112.114 -179.399 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.439 ' C ' ' OE2' ' A' ' 32' ' ' GLU . 97.1 mt-10 -129.18 153.29 47.87 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 54.6 -146.05 26.97 Favored Glycine 0 N--CA 1.465 0.573 0 CA-C-N 115.551 -0.749 . . . . 0.0 112.461 177.577 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -71.07 138.04 49.45 Favored 'General case' 0 CA--C 1.52 -0.181 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 179.255 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.49 ' O ' ' OG ' ' A' ' 19' ' ' SER . 34.5 mtmt -61.26 -32.28 72.09 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 -178.269 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.617 ' OH ' ' CD2' ' B' ' 90' ' ' TRP . 97.6 m-85 -107.17 18.82 21.22 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 113.472 0.916 . . . . 0.0 113.472 -177.423 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.6 tptt -140.83 139.63 34.53 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 119.238 -0.985 . . . . 0.0 108.82 177.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.48 HD12 ' ND1' ' A' ' 18' ' ' HIS . 18.5 tp -112.46 132.02 55.27 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 111.979 0.362 . . . . 0.0 111.979 -176.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 91.7 p -102.76 164.71 11.47 Favored 'General case' 0 C--O 1.239 0.522 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 179.158 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.0 ttpt -53.51 -45.97 69.91 Favored 'General case' 0 C--O 1.243 0.72 0 CA-C-O 121.346 0.593 . . . . 0.0 111.941 -177.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.561 ' CG ' ' N ' ' A' ' 32' ' ' GLU . 55.1 pttt -59.29 -46.77 87.65 Favored 'General case' 0 N--CA 1.438 -1.067 0 C-N-CA 119.779 -0.769 . . . . 0.0 109.909 -178.651 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.561 ' N ' ' CG ' ' A' ' 31' ' ' LYS . 94.0 mt-10 -62.04 -49.23 76.85 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 119.619 -0.833 . . . . 0.0 111.815 -177.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.48 -37.57 75.81 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 116.393 -2.123 . . . . 0.0 108.712 178.551 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.749 ' NZ ' HE21 ' A' ' 38' ' ' GLN . 13.2 tptp -53.66 -36.59 62.29 Favored 'General case' 0 N--CA 1.441 -0.924 0 C-N-CA 117.934 -1.506 . . . . 0.0 108.227 -178.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.449 ' O ' ' CG2' ' A' ' 39' ' ' THR . 97.1 mt-10 -73.02 -43.44 62.1 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 120.093 -0.643 . . . . 0.0 112.289 178.678 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.516 HD11 ' CE1' ' A' ' 18' ' ' HIS . 5.5 tt -68.06 -47.76 67.45 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 118.764 -1.174 . . . . 0.0 112.125 -177.587 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.549 ' O ' ' O ' ' A' ' 41' ' ' LEU . 1.8 mm? -59.09 -42.46 90.52 Favored 'General case' 0 CA--C 1.518 -0.251 0 C-N-CA 118.287 -1.365 . . . . 0.0 109.998 -178.656 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.749 HE21 ' NZ ' ' A' ' 34' ' ' LYS . 97.8 mt-30 -64.53 -39.95 94.72 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.245 -0.582 . . . . 0.0 111.955 178.487 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.449 ' CG2' ' O ' ' A' ' 35' ' ' GLU . 60.0 p -70.32 -40.81 73.95 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 120.034 -0.666 . . . . 0.0 112.617 -178.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -92.12 -50.88 5.45 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.549 ' O ' ' O ' ' A' ' 37' ' ' LEU . 26.1 mt -103.47 141.77 35.41 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-O 121.289 0.566 . . . . 0.0 112.014 -177.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.1 m -113.35 -65.41 1.19 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.243 178.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.15 -38.02 92.54 Favored Glycine 0 CA--C 1.533 1.17 0 CA-C-N 115.457 -0.792 . . . . 0.0 114.121 -178.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -59.92 -53.03 62.62 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 118.154 0.977 . . . . 0.0 112.393 -177.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -74.16 -37.23 64.07 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 120.517 -0.473 . . . . 0.0 111.564 178.325 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -59.06 -29.6 67.43 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.503 -179.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.21 -29.84 58.77 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.728 -177.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.2 mm-40 -92.46 118.42 30.94 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 119.482 -0.887 . . . . 0.0 109.854 179.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -63.31 -36.53 83.98 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 113.758 1.021 . . . . 0.0 113.758 -179.028 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -70.38 142.34 52.1 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 -177.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.4 m -74.03 -27.34 22.1 Favored 'Isoleucine or valine' 0 C--O 1.231 0.1 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.323 178.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -78.73 0.07 28.24 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.488 179.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.91 -37.25 71.17 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.262 -0.881 . . . . 0.0 109.994 -179.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.531 ' CG1' ' N ' ' A' ' 55' ' ' ASP . 8.0 p -60.19 -43.04 92.33 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 C-N-CA 119.802 -0.759 . . . . 0.0 109.768 178.72 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.531 ' N ' ' CG1' ' A' ' 54' ' ' VAL . 22.0 t70 -61.51 -42.39 98.73 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 179.062 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -61.68 -39.49 91.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.762 179.198 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 77.1 t -65.68 -45.23 92.63 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 CA-C-N 116.081 -0.508 . . . . 0.0 112.077 -179.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.5 ppp? -66.62 -33.38 75.52 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 -177.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 29.1 mmtm -59.31 -39.86 84.39 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 118.871 -1.132 . . . . 0.0 110.423 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -64.08 -38.9 92.75 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.476 178.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 63.5 mt -67.89 -35.84 79.19 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-N 115.481 -0.782 . . . . 0.0 112.303 -178.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.4 ' CG ' ' H ' ' A' ' 65' ' ' GLY . 44.1 t0 -72.09 73.83 0.92 Allowed 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 118.414 -1.314 . . . . 0.0 110.577 -178.138 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -63.24 -37.83 88.79 Favored 'General case' 0 CA--C 1.497 -1.077 0 N-CA-C 106.986 -1.487 . . . . 0.0 106.986 175.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.475 ' OD1' ' CG ' ' A' ' 66' ' ' ASP . 18.1 t-20 -58.05 -39.8 79.35 Favored 'General case' 0 N--CA 1.43 -1.461 0 CA-C-N 111.583 -2.553 . . . . 0.0 111.289 178.51 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.4 ' H ' ' CG ' ' A' ' 62' ' ' ASP . . . 79.9 18.9 71.48 Favored Glycine 0 CA--C 1.53 0.99 0 CA-C-N 116.252 -0.431 . . . . 0.0 112.881 178.069 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.512 ' O ' ' OE1' ' A' ' 68' ' ' GLU . 54.9 p30 -89.59 2.29 54.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 117.487 0.644 . . . . 0.0 112.666 -179.543 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 87.68 -2.8 86.22 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.221 -1.152 . . . . 0.0 110.221 179.242 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.512 ' OE1' ' O ' ' A' ' 66' ' ' ASP . 51.5 mp0 -120.5 158.94 26.2 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.842 -0.679 . . . . 0.0 111.338 179.52 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.405 ' HA ' ' OE1' ' A' ' 73' ' ' GLU . 48.7 t -104.71 130.14 56.14 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 N-CA-C 106.724 -1.584 . . . . 0.0 106.724 176.34 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -101.84 161.72 13.45 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.226 0.536 . . . . 0.0 111.584 -177.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -50.26 -43.8 53.41 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-N 115.401 -0.818 . . . . 0.0 108.984 -178.559 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -61.76 -40.14 94.07 Favored 'General case' 0 C--O 1.245 0.833 0 C-N-CA 119.83 -0.748 . . . . 0.0 110.686 178.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.405 ' OE1' ' HA ' ' A' ' 69' ' ' VAL . 74.2 mt-10 -64.69 -42.44 95.32 Favored 'General case' 0 C--O 1.242 0.705 0 CA-C-O 122.263 1.03 . . . . 0.0 109.85 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -63.12 -41.32 99.32 Favored 'General case' 0 C--O 1.241 0.623 0 CA-C-N 114.653 -1.158 . . . . 0.0 110.321 178.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -59.94 -47.96 89.64 Favored 'Isoleucine or valine' 0 C--O 1.248 1.01 0 CA-C-N 113.623 -1.626 . . . . 0.0 109.967 -179.163 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 15.5 m -67.27 -34.86 71.8 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.573 0 C-N-CA 117.804 -1.559 . . . . 0.0 109.386 178.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 34.8 tp -56.56 -51.81 67.17 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 118.793 -1.163 . . . . 0.0 111.992 178.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.436 ' O ' ' OG1' ' A' ' 82' ' ' THR . 35.5 m -68.84 -36.27 73.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 118.316 -1.354 . . . . 0.0 111.738 -178.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.4 -47.8 66.38 Favored 'General case' 0 C--O 1.248 1.006 0 C-N-CA 119.064 -1.054 . . . . 0.0 111.991 -179.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.409 ' O ' HG12 ' A' ' 83' ' ' VAL . . . -63.25 -40.07 96.4 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 179.456 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 9.2 mp -64.36 -34.93 79.3 Favored 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 119.231 -0.988 . . . . 0.0 109.684 176.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.436 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 36.6 m -63.18 -49.84 72.69 Favored 'General case' 0 C--O 1.246 0.88 0 C-N-CA 119.853 -0.739 . . . . 0.0 111.638 179.665 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.43 ' O ' ' OD1' ' A' ' 87' ' ' ASN . 14.5 p -63.1 -39.21 84.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 118.956 -1.097 . . . . 0.0 110.29 178.697 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.44 -30.72 71.54 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 121.035 0.445 . . . . 0.0 110.041 178.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 5.5 t -67.13 -54.23 23.23 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.35 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 35.0 t30 -56.07 -41.29 74.89 Favored 'General case' 0 C--O 1.239 0.513 0 C-N-CA 118.703 -1.199 . . . . 0.0 108.777 179.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.695 ' O ' ' HB2' ' A' ' 91' ' ' GLU . 25.3 m120 -59.95 -41.69 92.4 Favored 'General case' 0 C--O 1.203 -1.366 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.203 178.374 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.549 ' O ' ' O ' ' A' ' 91' ' ' GLU . 68.0 t80 -64.32 -41.6 96.74 Favored 'General case' 0 C--N 1.302 -1.486 0 C-N-CA 118.214 -1.394 . . . . 0.0 111.096 179.357 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -64.91 -59.83 3.75 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 119.907 -0.717 . . . . 0.0 112.272 -178.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.615 ' CD2' ' OH ' ' B' ' 26' ' ' TYR . 21.2 t-105 -68.09 -42.59 80.12 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 119.898 -0.721 . . . . 0.0 111.777 179.184 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.695 ' HB2' ' O ' ' A' ' 87' ' ' ASN . 60.4 mm-40 . . . . . 0 C--N 1.322 -0.621 0 CA-C-N 114.751 -1.113 . . . . 0.0 111.708 -179.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 . . . . . 0 C--O 1.238 0.461 0 N-CA-C 113.507 0.928 . . . . 0.0 113.507 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.1 tt -63.98 -42.47 97.22 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 118.027 -1.469 . . . . 0.0 107.906 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -66.01 -36.65 83.84 Favored 'General case' 0 C--O 1.22 -0.47 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.726 177.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 44.2 m -59.29 -41.83 89.86 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 119.469 -0.892 . . . . 0.0 108.888 179.301 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.55 -45.61 86.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.407 179.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 99.3 mtp -59.69 -41.02 89.79 Favored 'General case' 0 C--O 1.246 0.889 0 CA-C-O 121.429 0.633 . . . . 0.0 110.21 179.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -64.74 -37.32 87.2 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.619 178.01 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 54.0 m -62.84 -42.46 99.75 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 119.456 -0.898 . . . . 0.0 110.042 178.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 43.2 mt -59.48 -43.02 93.36 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.429 HG21 HD11 ' B' ' 12' ' ' ILE . 98.3 mt -61.71 -45.55 98.43 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.121 0 CA-C-N 115.006 -0.997 . . . . 0.0 111.796 178.752 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -61.35 -41.44 97.06 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 -178.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 16.0 m -72.83 -38.65 57.74 Favored 'Isoleucine or valine' 0 C--O 1.256 1.398 0 C-N-CA 118.723 -1.191 . . . . 0.0 110.112 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.55 ' O ' ' HD2' ' B' ' 18' ' ' HIS . 88.9 t80 -60.83 -42.79 98.41 Favored 'General case' 0 C--N 1.348 0.511 0 CA-C-O 122.192 0.996 . . . . 0.0 110.205 177.034 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -67.56 -33.84 75.86 Favored 'General case' 0 N--CA 1.435 -1.186 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.207 177.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.502 ' O ' ' HB2' ' B' ' 21' ' ' LYS . . . -59.7 -51.04 71.5 Favored 'General case' 0 N--CA 1.435 -1.184 0 C-N-CA 118.82 -1.152 . . . . 0.0 111.118 -178.707 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.592 ' CD2' ' H ' ' B' ' 19' ' ' SER . 0.5 OUTLIER -80.77 -49.12 11.55 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 117.165 -1.814 . . . . 0.0 113.738 179.859 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.592 ' H ' ' CD2' ' B' ' 18' ' ' HIS . 23.2 t -60.89 -40.97 95.06 Favored 'General case' 0 C--N 1.349 0.586 0 C-N-CA 118.278 -1.369 . . . . 0.0 109.593 -179.552 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.26 -45.14 62.46 Favored Glycine 0 C--N 1.344 0.984 0 CA-C-N 115.524 -0.762 . . . . 0.0 112.037 178.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . 0.502 ' HB2' ' O ' ' B' ' 17' ' ' ALA . 6.1 ttpm? -59.39 -41.96 90.6 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.214 -0.594 . . . . 0.0 112.074 -179.388 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.44 ' C ' ' OE2' ' B' ' 32' ' ' GLU . 97.2 mt-10 -129.09 153.36 47.72 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 54.45 -145.88 26.6 Favored Glycine 0 N--CA 1.465 0.602 0 CA-C-N 115.607 -0.724 . . . . 0.0 112.458 177.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -71.12 138.06 49.37 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 179.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.495 ' O ' ' OG ' ' B' ' 19' ' ' SER . 34.6 mtmt -61.36 -32.28 72.18 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -178.296 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.615 ' OH ' ' CD2' ' A' ' 90' ' ' TRP . 97.7 m-85 -107.09 18.76 21.33 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 -177.505 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 31.6 tptt -140.74 139.77 34.72 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 119.238 -0.985 . . . . 0.0 108.991 177.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.471 HD12 ' ND1' ' B' ' 18' ' ' HIS . 18.4 tp -112.57 132.0 55.34 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -176.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.405 ' HG ' ' HG3' ' B' ' 32' ' ' GLU . 91.7 p -102.78 164.8 11.42 Favored 'General case' 0 C--O 1.238 0.485 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 179.131 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 20.0 ttpt -53.69 -45.83 70.51 Favored 'General case' 0 C--O 1.243 0.75 0 CA-C-O 121.258 0.552 . . . . 0.0 111.947 -176.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.552 ' CG ' ' N ' ' B' ' 32' ' ' GLU . 55.1 pttt -59.39 -46.74 87.83 Favored 'General case' 0 N--CA 1.439 -1.022 0 C-N-CA 119.737 -0.785 . . . . 0.0 109.848 -178.665 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.552 ' N ' ' CG ' ' B' ' 31' ' ' LYS . 94.0 mt-10 -61.98 -49.24 76.86 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 119.656 -0.818 . . . . 0.0 111.802 -177.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.51 -37.57 75.87 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 116.464 -2.094 . . . . 0.0 108.662 178.564 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.738 ' NZ ' HE21 ' B' ' 38' ' ' GLN . 13.2 tptp -53.66 -36.62 62.32 Favored 'General case' 0 N--CA 1.441 -0.896 0 C-N-CA 117.944 -1.503 . . . . 0.0 108.227 -178.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . 0.449 ' O ' ' CG2' ' B' ' 39' ' ' THR . 97.1 mt-10 -73.04 -43.39 62.08 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 120.062 -0.655 . . . . 0.0 112.28 178.692 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.518 HD11 ' CE1' ' B' ' 18' ' ' HIS . 5.5 tt -68.15 -47.68 67.4 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 118.678 -1.209 . . . . 0.0 112.16 -177.567 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.55 ' O ' ' O ' ' B' ' 41' ' ' LEU . 1.8 mm? -58.97 -42.52 90.14 Favored 'General case' 0 CA--C 1.518 -0.254 0 C-N-CA 118.3 -1.36 . . . . 0.0 110.052 -178.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.738 HE21 ' NZ ' ' B' ' 34' ' ' LYS . 97.9 mt-30 -64.59 -40.0 94.74 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.274 -0.57 . . . . 0.0 111.9 178.581 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.449 ' CG2' ' O ' ' B' ' 35' ' ' GLU . 59.5 p -70.25 -40.75 74.24 Favored 'General case' 0 N--CA 1.462 0.163 0 C-N-CA 119.955 -0.698 . . . . 0.0 112.635 -178.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -92.17 -50.86 5.46 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.55 ' O ' ' O ' ' B' ' 37' ' ' LEU . 26.1 mt -103.41 141.68 35.55 Favored 'General case' 0 N--CA 1.461 0.09 0 CA-C-O 121.228 0.537 . . . . 0.0 112.079 -178.036 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.1 m -113.34 -65.33 1.2 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.217 178.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.12 -38.08 92.57 Favored Glycine 0 CA--C 1.533 1.191 0 CA-C-N 115.565 -0.743 . . . . 0.0 114.167 -178.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -59.91 -53.01 62.9 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 118.071 0.935 . . . . 0.0 112.379 -177.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -74.13 -37.31 64.12 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 120.578 -0.449 . . . . 0.0 111.538 178.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -59.07 -29.58 67.43 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.49 -179.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.21 -29.81 58.69 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.714 -177.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 89.2 mm-40 -92.5 118.41 30.95 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 119.589 -0.844 . . . . 0.0 109.768 179.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -63.4 -36.47 83.84 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 113.782 1.031 . . . . 0.0 113.782 -179.047 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -70.43 142.29 52.01 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.727 0.639 . . . . 0.0 112.727 -177.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 4.4 m -73.92 -27.38 22.4 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.373 178.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -78.68 -0.08 28.66 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.23 -0.895 . . . . 0.0 109.419 179.439 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.79 -37.3 70.93 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.07 -179.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.529 ' CG1' ' N ' ' B' ' 55' ' ' ASP . 7.9 p -60.1 -43.1 92.11 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.298 0 C-N-CA 119.828 -0.749 . . . . 0.0 109.816 178.675 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.529 ' N ' ' CG1' ' B' ' 54' ' ' VAL . 22.0 t70 -61.57 -42.35 98.72 Favored 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 179.106 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -61.69 -39.52 91.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.845 179.109 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 76.6 t -65.63 -45.21 92.86 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 CA-C-N 116.068 -0.515 . . . . 0.0 112.137 -179.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 1.5 ppp? -66.59 -33.35 75.47 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 114.66 1.356 . . . . 0.0 114.66 -177.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 29.1 mmtm -59.4 -39.82 84.63 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 118.853 -1.139 . . . . 0.0 110.325 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -64.13 -38.82 92.45 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.116 0.484 . . . . 0.0 110.541 178.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 63.6 mt -67.91 -35.89 79.25 Favored 'General case' 0 CA--C 1.511 -0.552 0 CA-C-N 115.503 -0.772 . . . . 0.0 112.265 -178.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.405 ' CG ' ' H ' ' B' ' 65' ' ' GLY . 44.0 t0 -72.11 73.83 0.92 Allowed 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 118.386 -1.326 . . . . 0.0 110.616 -178.163 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -63.16 -37.83 88.76 Favored 'General case' 0 CA--C 1.498 -1.034 0 N-CA-C 107.027 -1.472 . . . . 0.0 107.027 175.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.479 ' OD1' ' OD2' ' B' ' 66' ' ' ASP . 18.1 t-20 -58.12 -39.76 79.51 Favored 'General case' 0 N--CA 1.43 -1.449 0 CA-C-N 111.555 -2.566 . . . . 0.0 111.234 178.532 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.405 ' H ' ' CG ' ' B' ' 62' ' ' ASP . . . 79.93 18.84 71.55 Favored Glycine 0 CA--C 1.53 0.996 0 C-N-CA 121.39 -0.433 . . . . 0.0 112.891 178.101 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.518 ' O ' ' OE1' ' B' ' 68' ' ' GLU . 54.7 p30 -89.59 2.39 54.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 117.499 0.649 . . . . 0.0 112.717 -179.559 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 87.62 -2.8 86.31 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.145 -1.182 . . . . 0.0 110.145 179.185 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.518 ' OE1' ' O ' ' B' ' 66' ' ' ASP . 51.7 mp0 -120.52 159.0 26.07 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.922 -0.639 . . . . 0.0 111.26 179.519 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.403 ' HA ' ' OE1' ' B' ' 73' ' ' GLU . 48.7 t -104.71 130.14 56.12 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.657 0 N-CA-C 106.791 -1.559 . . . . 0.0 106.791 176.316 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -101.37 161.63 13.49 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.126 0.488 . . . . 0.0 111.575 -177.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -50.4 -43.78 54.75 Favored 'General case' 0 C--O 1.219 -0.506 0 CA-C-N 115.484 -0.78 . . . . 0.0 108.937 -178.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -61.85 -40.07 94.05 Favored 'General case' 0 C--O 1.244 0.815 0 C-N-CA 119.708 -0.797 . . . . 0.0 110.684 178.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.403 ' OE1' ' HA ' ' B' ' 69' ' ' VAL . 74.3 mt-10 -64.65 -42.42 95.43 Favored 'General case' 0 C--O 1.242 0.684 0 CA-C-O 122.181 0.991 . . . . 0.0 109.843 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -63.09 -41.39 99.38 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-N 114.677 -1.147 . . . . 0.0 110.288 178.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -59.95 -47.94 89.73 Favored 'Isoleucine or valine' 0 C--O 1.248 1.013 0 CA-C-N 113.645 -1.616 . . . . 0.0 109.886 -179.07 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 15.8 m -67.34 -34.79 71.15 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.556 0 C-N-CA 117.836 -1.546 . . . . 0.0 109.357 178.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 34.5 tp -56.6 -51.89 66.91 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 118.732 -1.187 . . . . 0.0 111.969 178.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.43 ' O ' ' OG1' ' B' ' 82' ' ' THR . 35.5 m -68.68 -36.37 74.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 C-N-CA 118.33 -1.348 . . . . 0.0 111.773 -178.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.34 -47.92 66.21 Favored 'General case' 0 C--O 1.249 1.035 0 C-N-CA 119.137 -1.025 . . . . 0.0 111.933 -179.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . 0.408 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -63.14 -40.11 96.63 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 179.457 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 9.1 mp -64.33 -35.06 79.65 Favored 'General case' 0 N--CA 1.445 -0.708 0 C-N-CA 119.106 -1.038 . . . . 0.0 109.709 176.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 36.3 m -62.92 -49.88 73.05 Favored 'General case' 0 C--O 1.246 0.877 0 C-N-CA 119.849 -0.74 . . . . 0.0 111.699 179.696 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . 0.442 ' O ' ' OD1' ' B' ' 87' ' ' ASN . 14.5 p -63.06 -39.27 84.57 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 119.029 -1.069 . . . . 0.0 110.321 178.688 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.48 -30.58 71.38 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-O 121.026 0.441 . . . . 0.0 110.049 178.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 5.5 t -67.23 -54.2 23.14 Favored 'General case' 0 CA--C 1.509 -0.623 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.341 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 35.0 t30 -56.09 -41.29 74.96 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 118.747 -1.181 . . . . 0.0 108.824 179.01 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . 0.703 ' O ' ' HB2' ' B' ' 91' ' ' GLU . 25.2 m120 -59.87 -41.79 92.3 Favored 'General case' 0 C--O 1.202 -1.443 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.19 178.337 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.559 ' O ' ' O ' ' B' ' 91' ' ' GLU . 67.9 t80 -64.24 -41.63 96.88 Favored 'General case' 0 C--N 1.302 -1.483 0 C-N-CA 118.183 -1.407 . . . . 0.0 111.135 179.35 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -64.95 -59.85 3.7 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 119.92 -0.712 . . . . 0.0 112.202 -178.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 90' ' ' TRP . . . . . 0.617 ' CD2' ' OH ' ' A' ' 26' ' ' TYR . 21.1 t-105 -68.09 -42.57 80.16 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 119.935 -0.706 . . . . 0.0 111.816 179.169 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . 0.703 ' HB2' ' O ' ' B' ' 87' ' ' ASN . 60.7 mm-40 . . . . . 0 C--N 1.321 -0.671 0 CA-C-N 114.696 -1.138 . . . . 0.0 111.815 -179.132 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 . . . . . 0 N--CA 1.462 0.149 0 N-CA-C 113.585 0.957 . . . . 0.0 113.585 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.8 tt -64.05 -42.33 97.08 Favored 'General case' 0 C--O 1.244 0.774 0 C-N-CA 118.414 -1.314 . . . . 0.0 108.519 -179.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.454 ' C ' ' OE1' ' A' ' 5' ' ' GLU . 6.6 tm-20 -64.4 -40.42 95.75 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 114.643 -1.162 . . . . 0.0 109.57 179.575 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 44.9 m -60.07 -40.31 89.08 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.459 179.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.1 -44.43 92.32 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.157 179.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 97.7 mtp -58.53 -41.14 84.84 Favored 'General case' 0 C--O 1.25 1.08 0 CA-C-O 121.846 0.831 . . . . 0.0 109.204 178.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -65.2 -35.29 80.6 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.135 -0.939 . . . . 0.0 110.385 178.007 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 47.6 m -64.17 -43.26 95.68 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 119.847 -0.741 . . . . 0.0 110.029 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 40.4 mt -62.43 -42.86 99.76 Favored 'General case' 0 C--O 1.239 0.534 0 C-N-CA 119.378 -0.929 . . . . 0.0 109.092 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.408 HG21 HD12 ' A' ' 12' ' ' ILE . 96.7 mt -62.2 -46.53 96.25 Favored 'Isoleucine or valine' 0 C--O 1.232 0.141 0 C-N-CA 119.873 -0.731 . . . . 0.0 111.54 178.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -61.92 -41.47 97.98 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 -178.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.1 m -73.72 -40.79 54.5 Favored 'Isoleucine or valine' 0 C--O 1.254 1.305 0 C-N-CA 119.104 -1.038 . . . . 0.0 111.399 -179.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -60.36 -47.23 86.96 Favored 'General case' 0 CA--C 1.508 -0.664 0 C-N-CA 119.458 -0.897 . . . . 0.0 109.51 177.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -64.79 -34.94 79.53 Favored 'General case' 0 CA--C 1.503 -0.854 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.218 178.105 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.54 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . -58.05 -52.36 65.86 Favored 'General case' 0 N--CA 1.436 -1.133 0 C-N-CA 118.749 -1.18 . . . . 0.0 110.039 -178.571 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.446 ' CD2' ' HG ' ' A' ' 36' ' ' LEU . 17.0 m-70 -78.81 -49.03 13.66 Favored 'General case' 0 C--N 1.319 -0.748 0 C-N-CA 118.777 -1.169 . . . . 0.0 113.886 -179.681 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 46.9 t -58.31 -43.14 88.03 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 119.615 -0.834 . . . . 0.0 110.629 -179.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -75.35 -44.2 22.87 Favored Glycine 0 CA--C 1.526 0.723 0 C-N-CA 120.778 -0.725 . . . . 0.0 111.757 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.54 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 7.2 ttpm? -59.21 -41.51 88.77 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 -178.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.608 ' OE2' ' NZ ' ' A' ' 31' ' ' LYS . 85.1 tt0 -124.32 141.56 51.97 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -177.72 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.48 -142.83 48.49 Favored Glycine 0 C--N 1.335 0.496 0 CA-C-N 114.936 -1.029 . . . . 0.0 112.548 178.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -70.3 146.02 50.86 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 115.12 -0.54 . . . . 0.0 109.841 179.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.6 mtmm -86.64 149.21 25.07 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 -179.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.605 ' OH ' ' CE3' ' B' ' 90' ' ' TRP . 89.2 m-85 61.22 13.39 4.78 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.4 tptt -138.25 131.34 30.04 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 106.327 -1.731 . . . . 0.0 106.327 175.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.5 tp -108.82 131.36 55.06 Favored 'General case' 0 C--O 1.213 -0.86 0 C-N-CA 120.312 -0.555 . . . . 0.0 110.327 -176.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.8 m -102.6 161.49 13.69 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.4 ttpm? -53.12 -46.88 68.94 Favored 'General case' 0 C--O 1.244 0.779 0 CA-C-O 121.571 0.701 . . . . 0.0 111.823 -177.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.608 ' NZ ' ' OE2' ' A' ' 22' ' ' GLU . 15.6 pttp -59.51 -47.18 86.52 Favored 'General case' 0 N--CA 1.437 -1.086 0 CA-C-N 115.318 -0.855 . . . . 0.0 109.961 -178.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.545 ' N ' ' CG ' ' A' ' 31' ' ' LYS . 95.5 mt-10 -63.52 -47.99 79.4 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 115.61 -0.723 . . . . 0.0 112.302 -178.821 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 pp -61.9 -34.18 75.57 Favored 'General case' 0 CA--C 1.499 -0.983 0 C-N-CA 118.472 -1.291 . . . . 0.0 109.855 -179.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.655 ' NZ ' ' NE2' ' A' ' 38' ' ' GLN . 1.2 tptm -54.43 -37.09 64.73 Favored 'General case' 0 N--CA 1.437 -1.09 0 C-N-CA 117.567 -1.653 . . . . 0.0 107.986 177.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -75.08 -41.74 58.23 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 179.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.446 ' HG ' ' CD2' ' A' ' 18' ' ' HIS . 1.6 tt -64.21 -45.65 87.32 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 120.057 -0.657 . . . . 0.0 111.27 -177.386 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.575 ' O ' ' O ' ' A' ' 41' ' ' LEU . 1.1 mm? -64.7 -43.35 93.77 Favored 'General case' 0 CA--C 1.519 -0.213 0 C-N-CA 119.03 -1.068 . . . . 0.0 111.31 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.655 ' NE2' ' NZ ' ' A' ' 34' ' ' LYS . 95.6 mt-30 -63.22 -39.03 93.47 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.212 -0.595 . . . . 0.0 111.376 179.786 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 76.6 p -72.63 -33.05 66.38 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.45 -0.5 . . . . 0.0 111.857 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -100.23 -59.04 1.78 Allowed 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 -179.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.575 ' O ' ' O ' ' A' ' 37' ' ' LEU . 56.4 mt -100.82 141.45 33.68 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.346 0.593 . . . . 0.0 111.763 -178.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.2 m -112.24 -63.04 1.48 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.508 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.62 -38.83 92.4 Favored Glycine 0 CA--C 1.531 1.057 0 CA-C-N 115.777 -0.647 . . . . 0.0 114.169 -177.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -61.11 -52.11 66.27 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 118.082 0.941 . . . . 0.0 112.237 -178.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -74.08 -40.87 62.46 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 120.274 -0.57 . . . . 0.0 110.958 178.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -61.15 -33.75 73.9 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.615 -0.72 . . . . 0.0 112.12 -179.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.68 -34.3 71.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 112.014 -177.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.569 ' C ' ' H ' ' A' ' 50' ' ' ASP . 94.4 mm-40 -61.43 -34.4 75.33 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 120.153 -0.619 . . . . 0.0 109.874 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 85.4 tttt 65.27 -28.72 0.11 Allowed 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.819 179.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.569 ' H ' ' C ' ' A' ' 48' ' ' GLN . 87.8 m-20 -70.64 142.84 51.59 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.524 -0.47 . . . . 0.0 111.171 -179.746 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.7 m -72.57 -29.61 31.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.508 179.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -87.74 6.49 34.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.439 179.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.51 -39.96 77.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.768 -178.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.515 ' CG1' ' N ' ' A' ' 55' ' ' ASP . 8.1 p -60.45 -43.03 93.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 C-N-CA 119.807 -0.757 . . . . 0.0 110.091 178.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.515 ' N ' ' CG1' ' A' ' 54' ' ' VAL . 85.8 m-20 -61.15 -43.24 99.18 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.808 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -62.4 -40.04 95.19 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.967 179.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 72.7 t -67.05 -47.9 80.74 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.215 0 N-CA-C 113.45 0.907 . . . . 0.0 113.45 -178.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.486 ' C ' ' SD ' ' A' ' 58' ' ' MET . 1.0 OUTLIER -70.89 -36.49 72.78 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 114.361 1.245 . . . . 0.0 114.361 -178.198 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 29.1 mmtm -60.51 -40.27 90.78 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 119.328 -0.949 . . . . 0.0 111.775 -179.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -64.35 -41.3 96.83 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.051 -0.659 . . . . 0.0 110.419 179.254 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.483 ' O ' ' OE1' ' A' ' 73' ' ' GLU . 84.4 mt -68.83 -33.45 73.85 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.06 -0.973 . . . . 0.0 112.859 -179.576 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.479 ' OD1' ' OD1' ' A' ' 66' ' ' ASP . 51.0 t0 -72.72 84.67 1.19 Allowed 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 118.809 -1.156 . . . . 0.0 110.816 -177.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -63.14 -46.98 84.69 Favored 'General case' 0 CA--C 1.506 -0.749 0 CA-C-O 122.449 1.118 . . . . 0.0 111.085 177.233 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 31.9 m120 -59.03 -35.43 73.28 Favored 'General case' 0 C--N 1.3 -1.564 0 CA-C-N 112.842 -1.981 . . . . 0.0 111.321 -179.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 79.58 20.06 69.7 Favored Glycine 0 CA--C 1.519 0.335 0 N-CA-C 108.376 -1.89 . . . . 0.0 108.376 -177.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.513 ' O ' ' OE1' ' A' ' 68' ' ' GLU . 22.2 p-10 -86.64 1.8 50.61 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 112.675 0.621 . . . . 0.0 112.675 -178.329 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 85.06 -1.1 89.0 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.8 -0.92 . . . . 0.0 110.8 178.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.513 ' OE1' ' O ' ' A' ' 66' ' ' ASP . 53.4 mp0 -121.54 156.11 33.56 Favored 'General case' 0 C--O 1.239 0.531 0 CA-C-O 121.864 0.84 . . . . 0.0 111.754 179.48 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.0 t -107.08 132.03 55.54 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.759 0 N-CA-C 106.331 -1.729 . . . . 0.0 106.331 176.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 51.3 t0 -99.61 160.17 14.49 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.223 0.535 . . . . 0.0 111.621 -177.812 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.522 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 1.0 OUTLIER -50.15 -43.93 52.32 Favored 'General case' 0 C--O 1.217 -0.654 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.331 -178.427 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -61.62 -40.34 94.48 Favored 'General case' 0 C--O 1.247 0.932 0 C-N-CA 119.535 -0.866 . . . . 0.0 110.645 178.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.483 ' OE1' ' O ' ' A' ' 61' ' ' LEU . 85.1 mt-10 -64.71 -42.23 95.43 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-O 122.212 1.006 . . . . 0.0 109.925 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -63.64 -40.83 97.85 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-N 114.721 -1.127 . . . . 0.0 109.952 178.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -60.71 -47.8 91.5 Favored 'Isoleucine or valine' 0 C--O 1.246 0.881 0 CA-C-N 113.872 -1.513 . . . . 0.0 109.842 -178.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 15.0 m -67.65 -34.1 65.93 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.506 0 C-N-CA 117.786 -1.565 . . . . 0.0 109.177 178.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 53.1 tp -56.86 -52.29 65.71 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 119.013 -1.075 . . . . 0.0 112.319 178.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.5 ' O ' ' OG1' ' A' ' 82' ' ' THR . 35.0 m -70.18 -35.48 63.54 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.29 0 C-N-CA 118.735 -1.186 . . . . 0.0 111.761 -178.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.71 -47.57 66.03 Favored 'General case' 0 C--O 1.247 0.969 0 C-N-CA 119.073 -1.051 . . . . 0.0 111.692 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.25 -40.35 97.18 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 179.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.8 mp -65.85 -33.88 76.87 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 119.277 -0.969 . . . . 0.0 109.818 176.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.5 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 40.2 m -62.88 -50.63 70.13 Favored 'General case' 0 C--O 1.245 0.827 0 C-N-CA 119.744 -0.782 . . . . 0.0 111.193 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.2 p -64.33 -38.4 82.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 C-N-CA 119.523 -0.871 . . . . 0.0 110.759 178.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.48 -31.46 72.55 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-O 121.193 0.521 . . . . 0.0 109.841 178.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 36.7 t -68.67 -55.11 12.51 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.912 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.403 HD21 HG21 ' B' ' 12' ' ' ILE . 20.2 t-20 -56.56 -41.89 77.66 Favored 'General case' 0 C--O 1.239 0.502 0 C-N-CA 118.607 -1.237 . . . . 0.0 109.016 179.318 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -60.05 -37.9 81.21 Favored 'General case' 0 C--O 1.219 -0.523 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 178.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.523 ' O ' ' O ' ' A' ' 91' ' ' GLU . 67.4 t80 -62.36 -45.53 92.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.933 -179.733 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -66.43 -54.83 19.68 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 120.274 -0.571 . . . . 0.0 112.228 -179.186 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.594 ' CE3' ' OH ' ' B' ' 26' ' ' TYR . 23.6 t-105 -64.6 -40.86 96.26 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.279 0.562 . . . . 0.0 112.49 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.523 ' O ' ' O ' ' A' ' 88' ' ' PHE . 1.4 tm-20 . . . . . 0 C--N 1.318 -0.788 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.568 -177.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 . . . . . 0 C--O 1.232 0.154 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 5.7 tt -63.95 -42.45 97.31 Favored 'General case' 0 C--O 1.243 0.749 0 C-N-CA 118.493 -1.283 . . . . 0.0 108.533 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . 0.455 ' OE1' ' C ' ' B' ' 5' ' ' GLU . 6.6 tm-20 -64.41 -40.36 95.62 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 114.596 -1.184 . . . . 0.0 109.602 179.584 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 44.9 m -60.15 -40.17 88.9 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.494 178.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.14 -44.43 92.16 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.123 179.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 97.7 mtp -58.63 -41.18 85.38 Favored 'General case' 0 C--O 1.25 1.092 0 CA-C-O 121.844 0.83 . . . . 0.0 109.18 178.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -65.12 -36.17 83.44 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.285 178.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 43.7 m -63.01 -43.67 98.13 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 119.944 -0.702 . . . . 0.0 110.23 179.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 46.4 mt -62.49 -42.8 99.74 Favored 'General case' 0 C--O 1.238 0.493 0 C-N-CA 119.491 -0.883 . . . . 0.0 109.031 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.404 HG21 HD12 ' B' ' 12' ' ' ILE . 96.7 mt -62.06 -46.55 96.22 Favored 'Isoleucine or valine' 0 C--O 1.231 0.127 0 C-N-CA 119.852 -0.739 . . . . 0.0 111.613 178.819 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -61.94 -41.48 98.01 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -178.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 17.1 m -73.74 -40.84 54.4 Favored 'Isoleucine or valine' 0 C--O 1.253 1.257 0 C-N-CA 119.037 -1.065 . . . . 0.0 111.391 -179.327 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -60.18 -47.37 86.25 Favored 'General case' 0 CA--C 1.508 -0.663 0 C-N-CA 119.445 -0.902 . . . . 0.0 109.553 177.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -64.69 -34.95 79.51 Favored 'General case' 0 CA--C 1.502 -0.868 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.331 178.128 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.543 ' O ' ' CB ' ' B' ' 21' ' ' LYS . . . -58.03 -52.32 66.01 Favored 'General case' 0 N--CA 1.436 -1.151 0 C-N-CA 118.697 -1.201 . . . . 0.0 110.138 -178.682 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.436 ' CD2' ' HG ' ' B' ' 36' ' ' LEU . 16.7 m-70 -78.8 -49.14 13.48 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 118.791 -1.163 . . . . 0.0 113.78 -179.684 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 46.9 t -58.25 -43.14 87.72 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 119.55 -0.86 . . . . 0.0 110.725 -179.125 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -75.38 -44.1 22.99 Favored Glycine 0 CA--C 1.527 0.824 0 C-N-CA 120.742 -0.742 . . . . 0.0 111.784 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . 0.543 ' CB ' ' O ' ' B' ' 17' ' ' ALA . 7.2 ttpm? -59.3 -41.43 88.99 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 -178.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.61 ' OE2' ' NZ ' ' B' ' 31' ' ' LYS . 85.1 tt0 -124.31 141.67 51.89 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 113.172 0.804 . . . . 0.0 113.172 -177.798 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.4 -142.84 48.51 Favored Glycine 0 N--CA 1.464 0.509 0 CA-C-N 114.881 -1.054 . . . . 0.0 112.53 178.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -70.27 145.86 51.01 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 115.119 -0.54 . . . . 0.0 109.868 179.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 27.6 mtmm -86.45 149.27 25.1 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 -179.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.594 ' OH ' ' CE3' ' A' ' 90' ' ' TRP . 88.9 m-85 61.13 13.41 4.7 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.222 0.452 . . . . 0.0 112.222 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 30.0 tptt -138.21 131.61 30.56 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 106.345 -1.724 . . . . 0.0 106.345 175.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 14.4 tp -108.99 131.26 55.23 Favored 'General case' 0 C--O 1.213 -0.851 0 C-N-CA 120.327 -0.549 . . . . 0.0 110.439 -176.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 71.2 m -102.65 161.47 13.71 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 5.4 ttpm? -53.03 -46.98 68.68 Favored 'General case' 0 C--O 1.245 0.824 0 CA-C-O 121.579 0.704 . . . . 0.0 111.765 -177.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.61 ' NZ ' ' OE2' ' B' ' 22' ' ' GLU . 15.6 pttp -59.52 -47.15 86.64 Favored 'General case' 0 N--CA 1.438 -1.057 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.898 -178.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.543 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 95.5 mt-10 -63.51 -47.96 79.54 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.641 -0.708 . . . . 0.0 112.333 -178.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 pp -61.9 -34.16 75.54 Favored 'General case' 0 CA--C 1.498 -1.033 0 C-N-CA 118.523 -1.271 . . . . 0.0 109.931 -179.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.667 ' NZ ' HE22 ' B' ' 38' ' ' GLN . 1.2 tptm -54.44 -37.14 64.81 Favored 'General case' 0 N--CA 1.437 -1.119 0 C-N-CA 117.65 -1.62 . . . . 0.0 107.938 177.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -75.08 -41.75 58.17 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 179.135 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.436 ' HG ' ' CD2' ' B' ' 18' ' ' HIS . 1.7 tt -64.26 -45.59 87.42 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 120.018 -0.673 . . . . 0.0 111.212 -177.356 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.572 ' O ' ' O ' ' B' ' 41' ' ' LEU . 1.1 mm? -64.68 -43.47 93.44 Favored 'General case' 0 N--CA 1.462 0.166 0 C-N-CA 118.978 -1.089 . . . . 0.0 111.297 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.667 HE22 ' NZ ' ' B' ' 34' ' ' LYS . 95.5 mt-30 -63.1 -39.05 93.56 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.144 -0.623 . . . . 0.0 111.491 179.741 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 74.5 p -72.57 -33.12 66.54 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.365 -0.534 . . . . 0.0 111.916 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -100.17 -58.94 1.8 Allowed 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 -179.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.572 ' O ' ' O ' ' B' ' 37' ' ' LEU . 56.6 mt -100.89 141.42 33.8 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 121.337 0.589 . . . . 0.0 111.774 -178.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.2 m -112.25 -63.12 1.47 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.514 179.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.56 -38.88 92.34 Favored Glycine 0 CA--C 1.53 1.005 0 CA-C-N 115.754 -0.657 . . . . 0.0 114.191 -178.021 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -61.09 -52.05 66.54 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 118.099 0.95 . . . . 0.0 112.269 -178.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -74.13 -40.74 62.44 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 120.182 -0.607 . . . . 0.0 110.995 178.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -61.21 -33.82 74.09 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.622 -0.717 . . . . 0.0 112.01 -179.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.6 -34.44 71.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.967 -177.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.575 ' C ' ' H ' ' B' ' 50' ' ' ASP . 94.4 mm-40 -61.42 -34.43 75.37 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.191 -0.604 . . . . 0.0 109.782 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 85.4 tttt 65.28 -28.8 0.11 Allowed 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.87 179.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . 0.575 ' H ' ' C ' ' B' ' 48' ' ' GLN . 87.8 m-20 -70.56 142.82 51.74 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.422 -0.511 . . . . 0.0 111.26 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 4.7 m -72.55 -29.66 31.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.456 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -87.69 6.54 34.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.414 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.62 -39.94 78.05 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.72 -178.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.524 ' CG1' ' N ' ' B' ' 55' ' ' ASP . 8.1 p -60.47 -43.03 93.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 C-N-CA 119.867 -0.733 . . . . 0.0 110.071 179.001 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.524 ' N ' ' CG1' ' B' ' 54' ' ' VAL . 85.7 m-20 -61.08 -43.33 99.05 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.551 -0.749 . . . . 0.0 109.765 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -62.51 -39.83 94.79 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.964 179.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 72.7 t -67.13 -47.84 80.57 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.27 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -178.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' MET . . . . . 0.485 ' C ' ' SD ' ' B' ' 58' ' ' MET . 1.0 OUTLIER -70.95 -36.39 72.56 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 114.364 1.246 . . . . 0.0 114.364 -178.229 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 29.2 mmtm -60.59 -40.27 91.15 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 119.372 -0.931 . . . . 0.0 111.778 -179.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -64.32 -41.35 96.87 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.041 -0.663 . . . . 0.0 110.499 179.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.484 ' O ' ' OE1' ' B' ' 73' ' ' GLU . 84.4 mt -68.73 -33.46 73.96 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.095 -0.957 . . . . 0.0 112.927 -179.701 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.479 ' OD1' ' OD1' ' B' ' 66' ' ' ASP . 51.0 t0 -72.74 84.65 1.19 Allowed 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 118.783 -1.167 . . . . 0.0 110.86 -177.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -63.08 -47.02 84.66 Favored 'General case' 0 CA--C 1.505 -0.759 0 CA-C-O 122.491 1.139 . . . . 0.0 111.127 177.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 32.0 m120 -58.93 -35.5 73.21 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-N 112.813 -1.994 . . . . 0.0 111.354 -179.173 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 79.57 20.04 69.76 Favored Glycine 0 CA--C 1.519 0.34 0 N-CA-C 108.404 -1.878 . . . . 0.0 108.404 -177.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.522 ' O ' ' OE1' ' B' ' 68' ' ' GLU . 22.2 p-10 -86.52 1.76 50.42 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -178.399 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 85.15 -1.31 88.78 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.807 -0.917 . . . . 0.0 110.807 178.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.522 ' OE1' ' O ' ' B' ' 66' ' ' ASP . 53.4 mp0 -121.48 156.21 33.27 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-O 121.953 0.882 . . . . 0.0 111.726 179.465 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 35.7 t -107.06 131.98 55.64 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.753 0 N-CA-C 106.412 -1.699 . . . . 0.0 106.412 176.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.547 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 50.0 t0 -99.05 160.08 14.51 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.077 0.465 . . . . 0.0 111.668 -177.788 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.547 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 1.0 OUTLIER -50.32 -43.93 54.05 Favored 'General case' 0 C--O 1.217 -0.651 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.233 -178.775 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -61.57 -40.5 94.95 Favored 'General case' 0 C--O 1.246 0.907 0 C-N-CA 119.617 -0.833 . . . . 0.0 110.599 178.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.484 ' OE1' ' O ' ' B' ' 61' ' ' LEU . 85.2 mt-10 -64.67 -42.2 95.54 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-O 122.176 0.989 . . . . 0.0 109.9 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -63.69 -40.6 97.21 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 114.72 -1.127 . . . . 0.0 110.081 178.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -60.86 -47.82 91.64 Favored 'Isoleucine or valine' 0 C--O 1.246 0.915 0 CA-C-N 113.792 -1.549 . . . . 0.0 109.813 -179.036 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 14.9 m -67.59 -34.1 66.13 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.529 0 C-N-CA 117.805 -1.558 . . . . 0.0 109.218 178.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 53.0 tp -56.89 -52.19 66.14 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 119.064 -1.054 . . . . 0.0 112.341 178.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.498 ' O ' ' OG1' ' B' ' 82' ' ' THR . 35.0 m -70.35 -35.34 62.06 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.262 0 C-N-CA 118.735 -1.186 . . . . 0.0 111.686 -178.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.9 -47.45 65.8 Favored 'General case' 0 C--O 1.247 0.933 0 C-N-CA 119.005 -1.078 . . . . 0.0 111.641 -179.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.38 -40.24 96.69 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 5.7 mp -65.76 -33.98 77.11 Favored 'General case' 0 C--O 1.22 -0.458 0 C-N-CA 119.265 -0.974 . . . . 0.0 109.876 176.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.498 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 39.5 m -62.79 -50.66 70.15 Favored 'General case' 0 C--O 1.244 0.785 0 C-N-CA 119.763 -0.775 . . . . 0.0 111.145 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 13.3 p -64.35 -38.5 82.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.575 0 C-N-CA 119.526 -0.87 . . . . 0.0 110.714 178.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.27 -31.48 72.65 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 121.229 0.537 . . . . 0.0 109.96 178.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 36.8 t -68.73 -55.19 12.15 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.887 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -56.5 -41.88 77.43 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 118.646 -1.221 . . . . 0.0 109.08 179.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -60.03 -37.98 81.35 Favored 'General case' 0 C--O 1.219 -0.521 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 178.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.525 ' O ' ' O ' ' B' ' 91' ' ' GLU . 67.4 t80 -62.31 -45.65 92.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.869 -179.699 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -66.34 -54.92 18.94 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 120.298 -0.561 . . . . 0.0 112.167 -179.125 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 90' ' ' TRP . . . . . 0.605 ' CE3' ' OH ' ' A' ' 26' ' ' TYR . 23.5 t-105 -64.53 -40.99 96.63 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.318 0.58 . . . . 0.0 112.501 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . 0.525 ' O ' ' O ' ' B' ' 88' ' ' PHE . 1.4 tm-20 . . . . . 0 C--N 1.318 -0.773 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.553 -177.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 . . . . . 0 C--O 1.237 0.438 0 N-CA-C 113.484 0.92 . . . . 0.0 113.484 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.1 tt -63.42 -42.52 98.73 Favored 'General case' 0 C--O 1.24 0.569 0 C-N-CA 117.976 -1.49 . . . . 0.0 108.032 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.404 ' OE2' ' CD2' ' B' ' 41' ' ' LEU . 72.1 mm-40 -66.16 -36.85 84.19 Favored 'General case' 0 C--O 1.219 -0.513 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.92 177.499 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 44.4 m -59.0 -42.04 89.13 Favored 'General case' 0 C--O 1.24 0.557 0 C-N-CA 119.432 -0.907 . . . . 0.0 108.877 179.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.29 -46.08 85.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.312 179.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 99.4 mtp -59.68 -40.95 89.53 Favored 'General case' 0 C--O 1.245 0.868 0 CA-C-O 121.401 0.62 . . . . 0.0 110.322 179.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.83 -36.6 84.85 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.711 177.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 58.7 m -63.78 -42.23 97.79 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 119.448 -0.901 . . . . 0.0 110.026 178.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 38.2 mt -59.34 -43.14 92.8 Favored 'General case' 0 C--O 1.239 0.53 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 179.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 98.0 mt -61.79 -45.59 98.36 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.112 0 CA-C-N 114.873 -1.058 . . . . 0.0 111.84 178.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -61.33 -41.41 96.98 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -178.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.4 m -72.79 -38.98 58.87 Favored 'Isoleucine or valine' 0 C--O 1.255 1.378 0 C-N-CA 118.831 -1.148 . . . . 0.0 110.413 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.548 ' O ' ' HD2' ' A' ' 18' ' ' HIS . 88.8 t80 -60.76 -42.44 97.46 Favored 'General case' 0 C--N 1.348 0.539 0 C-N-CA 119.184 -1.007 . . . . 0.0 109.873 177.063 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -67.62 -33.89 75.89 Favored 'General case' 0 C--N 1.309 -1.179 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.185 178.024 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.511 ' O ' ' HB2' ' A' ' 21' ' ' LYS . . . -59.88 -50.77 72.46 Favored 'General case' 0 N--CA 1.437 -1.109 0 C-N-CA 118.834 -1.146 . . . . 0.0 111.056 -178.677 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.584 ' CD2' ' H ' ' A' ' 19' ' ' SER . 0.5 OUTLIER -80.74 -49.21 11.45 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 117.177 -1.809 . . . . 0.0 113.7 179.909 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.584 ' H ' ' CD2' ' A' ' 18' ' ' HIS . 22.9 t -60.58 -41.17 94.11 Favored 'General case' 0 C--N 1.352 0.702 0 C-N-CA 118.454 -1.298 . . . . 0.0 109.473 -179.707 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -70.0 -43.92 63.28 Favored Glycine 0 C--N 1.343 0.948 0 CA-C-N 115.518 -0.764 . . . . 0.0 112.15 178.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.511 ' HB2' ' O ' ' A' ' 17' ' ' ALA . 5.8 ttpm? -59.04 -42.25 89.81 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 119.978 -0.689 . . . . 0.0 111.619 -179.581 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.432 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 97.1 mt-10 -129.46 151.77 49.73 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 112.824 0.676 . . . . 0.0 112.824 179.37 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.08 -148.98 31.7 Favored Glycine 0 CA--C 1.523 0.565 0 CA-C-N 115.707 -0.679 . . . . 0.0 112.305 177.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -70.9 139.91 50.88 Favored 'General case' 0 C--O 1.234 0.252 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 179.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.487 ' O ' ' OG ' ' A' ' 19' ' ' SER . 36.4 mtmt -60.96 -31.75 71.3 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.141 -178.447 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.612 ' OH ' ' CD2' ' B' ' 90' ' ' TRP . 98.2 m-85 -106.5 19.57 20.3 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 -177.46 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.466 ' N ' ' HG ' ' A' ' 19' ' ' SER . 11.8 tptt -138.47 138.12 37.8 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 119.105 -1.038 . . . . 0.0 108.814 178.65 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.521 HD13 ' ND1' ' A' ' 18' ' ' HIS . 18.4 tp -112.37 131.66 55.42 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.345 -0.542 . . . . 0.0 111.522 -177.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.4 t -103.21 159.98 15.06 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.744 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.1 ttpt -52.1 -44.12 64.27 Favored 'General case' 0 C--O 1.239 0.542 0 C-N-CA 120.227 -0.589 . . . . 0.0 111.122 -178.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.584 ' CG ' ' N ' ' A' ' 32' ' ' GLU . 56.4 pttt -58.89 -46.79 87.0 Favored 'General case' 0 N--CA 1.438 -1.04 0 C-N-CA 119.901 -0.72 . . . . 0.0 109.471 -178.749 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.584 ' N ' ' CG ' ' A' ' 31' ' ' LYS . 92.4 mt-10 -62.68 -50.17 72.21 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 119.826 -0.75 . . . . 0.0 112.0 -177.749 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.13 -37.08 76.37 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 116.806 -1.958 . . . . 0.0 109.11 178.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.71 ' NZ ' HE22 ' A' ' 38' ' ' GLN . 0.8 OUTLIER -53.56 -36.59 62.03 Favored 'General case' 0 N--CA 1.44 -0.948 0 C-N-CA 118.192 -1.403 . . . . 0.0 108.039 -179.531 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.457 ' O ' ' CG2' ' A' ' 39' ' ' THR . 97.0 mt-10 -74.1 -43.61 56.98 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 178.612 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.505 HD12 ' CE1' ' A' ' 18' ' ' HIS . 5.4 tt -67.91 -48.0 67.2 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 118.728 -1.189 . . . . 0.0 112.425 -177.116 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.54 ' O ' ' O ' ' A' ' 41' ' ' LEU . 1.5 mm? -59.36 -42.32 91.31 Favored 'General case' 0 CA--C 1.518 -0.283 0 C-N-CA 118.264 -1.375 . . . . 0.0 109.998 -178.776 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.71 HE22 ' NZ ' ' A' ' 34' ' ' LYS . 95.1 mt-30 -64.62 -39.94 94.61 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.421 -0.512 . . . . 0.0 111.768 179.007 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.457 ' CG2' ' O ' ' A' ' 35' ' ' GLU . 59.3 p -71.04 -41.15 71.17 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -179.049 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -91.44 -49.63 6.23 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 120.494 -0.482 . . . . 0.0 112.249 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.54 ' O ' ' O ' ' A' ' 37' ' ' LEU . 28.7 mt -103.71 141.69 35.63 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 121.184 0.516 . . . . 0.0 111.997 -178.325 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.1 m -113.66 -65.45 1.18 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.029 178.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.78 -38.29 91.8 Favored Glycine 0 CA--C 1.532 1.138 0 CA-C-N 115.537 -0.756 . . . . 0.0 114.136 -178.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -60.44 -53.34 58.76 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 118.113 0.956 . . . . 0.0 112.379 -177.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -74.08 -38.88 63.78 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 120.429 -0.508 . . . . 0.0 111.094 178.072 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -59.6 -30.2 68.51 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.14 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.13 -31.43 61.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.122 -177.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -95.84 115.76 27.91 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 119.561 -0.856 . . . . 0.0 109.067 178.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -63.22 -39.13 93.74 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 114.004 1.112 . . . . 0.0 114.004 -178.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -69.69 142.53 53.34 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.041 0.756 . . . . 0.0 113.041 -177.027 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.8 m -72.23 -27.67 27.23 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.201 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 177.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -61.06 -23.55 65.54 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 114.06 -1.427 . . . . 0.0 109.146 178.072 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.91 -37.56 52.95 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.735 -177.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.466 ' CG1' ' N ' ' A' ' 55' ' ' ASP . 10.8 p -59.97 -43.26 92.01 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 C-N-CA 119.303 -0.959 . . . . 0.0 109.8 178.318 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.466 ' N ' ' CG1' ' A' ' 54' ' ' VAL . 91.3 m-20 -61.29 -42.37 98.54 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 120.134 -0.627 . . . . 0.0 109.344 179.123 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 41.6 mttp -60.76 -38.98 87.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.211 179.344 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 78.1 t -66.4 -46.1 87.63 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.455 0 CA-C-N 115.932 -0.576 . . . . 0.0 112.515 -179.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -72.42 -34.95 68.21 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 114.996 1.48 . . . . 0.0 114.996 -178.421 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.9 mmtm -59.95 -39.65 86.32 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 119.636 -0.826 . . . . 0.0 112.953 -178.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -70.09 -35.33 74.1 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 119.335 -0.946 . . . . 0.0 109.854 179.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 63' ' ' GLU . 91.3 mt -67.42 -35.45 79.29 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-N 115.754 -0.657 . . . . 0.0 112.113 179.478 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -71.32 73.85 0.71 Allowed 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 118.34 -1.344 . . . . 0.0 109.945 -179.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 61' ' ' LEU . 87.7 tt0 -63.54 -38.09 89.79 Favored 'General case' 0 CA--C 1.498 -1.053 0 CA-C-O 123.072 1.415 . . . . 0.0 107.35 176.539 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.485 ' OD1' ' OD2' ' A' ' 66' ' ' ASP . 16.7 t-20 -57.98 -39.64 78.69 Favored 'General case' 0 N--CA 1.429 -1.503 0 CA-C-N 111.607 -2.542 . . . . 0.0 111.331 178.713 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 79.76 19.06 71.5 Favored Glycine 0 CA--C 1.53 0.987 0 C-N-CA 121.345 -0.455 . . . . 0.0 112.749 178.103 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.51 ' O ' ' OE1' ' A' ' 68' ' ' GLU . 54.8 p30 -89.15 2.12 54.63 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -179.61 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 87.52 -3.65 86.28 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 110.146 -1.182 . . . . 0.0 110.146 179.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.51 ' OE1' ' O ' ' A' ' 66' ' ' ASP . 53.3 mp0 -120.54 159.95 24.17 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.959 -0.62 . . . . 0.0 110.635 179.459 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 61.9 t -105.58 130.9 56.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 106.477 -1.675 . . . . 0.0 106.477 176.346 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.497 ' C ' ' OD1' ' A' ' 70' ' ' ASP . 17.2 p30 -101.45 170.66 8.06 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 119.279 -0.968 . . . . 0.0 110.246 -178.016 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -53.63 -44.45 69.53 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.962 -178.647 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -61.58 -39.98 93.12 Favored 'General case' 0 C--O 1.246 0.89 0 C-N-CA 120.054 -0.658 . . . . 0.0 111.204 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 67.5 mt-10 -64.26 -42.84 96.28 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-O 122.06 0.933 . . . . 0.0 110.097 179.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -63.93 -40.64 96.92 Favored 'General case' 0 C--O 1.24 0.587 0 CA-C-O 122.34 1.067 . . . . 0.0 110.356 178.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -59.65 -48.09 88.72 Favored 'Isoleucine or valine' 0 C--O 1.249 1.043 0 CA-C-N 113.82 -1.536 . . . . 0.0 109.537 -179.081 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 15.4 m -68.04 -33.96 64.08 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 C-N-CA 117.967 -1.493 . . . . 0.0 109.38 178.408 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 45.0 tp -55.47 -52.91 62.07 Favored 'General case' 0 C--O 1.238 0.483 0 C-N-CA 118.902 -1.119 . . . . 0.0 112.021 178.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.429 ' O ' ' OG1' ' A' ' 82' ' ' THR . 34.6 m -69.83 -35.46 65.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 118.661 -1.216 . . . . 0.0 111.683 -178.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.75 -47.49 69.1 Favored 'General case' 0 C--O 1.248 1.003 0 C-N-CA 118.89 -1.124 . . . . 0.0 111.68 -179.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.414 ' O ' HG13 ' A' ' 83' ' ' VAL . . . -63.91 -39.57 94.49 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 179.367 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.3 mp -64.85 -34.0 77.34 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 119.062 -1.055 . . . . 0.0 109.521 176.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.429 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 41.3 m -63.46 -49.82 72.16 Favored 'General case' 0 C--O 1.244 0.792 0 C-N-CA 120.01 -0.676 . . . . 0.0 111.503 179.277 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.414 HG13 ' O ' ' A' ' 80' ' ' ALA . 14.5 p -63.31 -39.3 84.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 118.89 -1.124 . . . . 0.0 110.338 178.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.14 -31.4 72.58 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-O 121.117 0.485 . . . . 0.0 109.903 178.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 44.7 t -66.18 -54.57 23.69 Favored 'General case' 0 CA--C 1.51 -0.574 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.438 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -56.41 -41.02 75.65 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 118.729 -1.188 . . . . 0.0 108.782 179.106 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.664 ' O ' ' HB2' ' A' ' 91' ' ' GLU . 87.1 m-20 -59.05 -41.35 87.66 Favored 'General case' 0 C--O 1.202 -1.403 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.563 178.315 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.558 ' O ' ' O ' ' A' ' 91' ' ' GLU . 67.7 t80 -64.13 -41.08 97.36 Favored 'General case' 0 C--N 1.303 -1.429 0 C-N-CA 118.318 -1.353 . . . . 0.0 110.872 178.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -64.44 -60.55 3.02 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 120.005 -0.678 . . . . 0.0 112.294 -178.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.605 ' CD2' ' OH ' ' B' ' 26' ' ' TYR . 19.1 t-105 -68.63 -44.1 74.92 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 119.774 -0.77 . . . . 0.0 111.386 179.051 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.664 ' HB2' ' O ' ' A' ' 87' ' ' ASN . 59.1 mm-40 . . . . . 0 C--N 1.321 -0.636 0 CA-C-N 114.697 -1.138 . . . . 0.0 111.506 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 . . . . . 0 C--O 1.237 0.428 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.1 tt -63.48 -42.54 98.57 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 117.895 -1.522 . . . . 0.0 107.953 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -66.18 -36.88 84.26 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.838 177.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 46.2 m -58.95 -41.9 88.55 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 119.465 -0.894 . . . . 0.0 108.891 179.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.41 -46.06 84.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.304 179.145 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 99.4 mtp -59.81 -40.92 90.04 Favored 'General case' 0 C--O 1.246 0.903 0 CA-C-O 121.336 0.588 . . . . 0.0 110.263 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.66 -37.48 87.72 Favored 'General case' 0 CA--C 1.511 -0.557 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.619 177.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 57.5 m -62.91 -42.44 99.79 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 119.445 -0.902 . . . . 0.0 110.19 178.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 43.7 mt -59.36 -43.13 92.85 Favored 'General case' 0 C--O 1.24 0.554 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 179.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.428 HG22 HD12 ' B' ' 12' ' ' ILE . 97.9 mt -61.76 -45.54 98.47 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 CA-C-N 114.856 -1.065 . . . . 0.0 111.817 178.76 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -61.36 -41.38 96.98 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -178.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 15.5 m -72.78 -39.01 59.09 Favored 'Isoleucine or valine' 0 C--O 1.256 1.401 0 C-N-CA 118.774 -1.17 . . . . 0.0 110.344 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.557 ' O ' ' HD2' ' B' ' 18' ' ' HIS . 88.9 t80 -60.74 -42.55 97.57 Favored 'General case' 0 C--N 1.347 0.484 0 CA-C-O 122.199 0.999 . . . . 0.0 109.895 177.136 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -67.47 -33.92 76.1 Favored 'General case' 0 N--CA 1.436 -1.161 0 CA-C-N 115.351 -0.841 . . . . 0.0 109.225 177.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.509 ' O ' ' HB2' ' B' ' 21' ' ' LYS . . . -59.95 -50.7 72.74 Favored 'General case' 0 N--CA 1.436 -1.145 0 C-N-CA 118.831 -1.147 . . . . 0.0 111.041 -178.631 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.591 ' CD2' ' H ' ' B' ' 19' ' ' SER . 0.5 OUTLIER -80.82 -49.18 11.41 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 117.15 -1.82 . . . . 0.0 113.62 179.919 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.591 ' H ' ' CD2' ' B' ' 18' ' ' HIS . 22.8 t -60.66 -41.1 94.34 Favored 'General case' 0 C--N 1.351 0.672 0 C-N-CA 118.472 -1.291 . . . . 0.0 109.482 -179.662 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.96 -44.03 63.13 Favored Glycine 0 C--N 1.342 0.889 0 CA-C-N 115.53 -0.759 . . . . 0.0 112.08 178.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . 0.509 ' HB2' ' O ' ' B' ' 17' ' ' ALA . 5.8 ttpm? -58.99 -42.31 89.69 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.012 -0.675 . . . . 0.0 111.576 -179.542 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.443 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 97.1 mt-10 -129.52 151.82 49.73 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 179.355 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.02 -148.86 31.67 Favored Glycine 0 CA--C 1.523 0.537 0 CA-C-N 115.704 -0.68 . . . . 0.0 112.326 177.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -70.95 139.83 50.74 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.479 ' O ' ' OG ' ' B' ' 19' ' ' SER . 36.3 mtmt -60.97 -31.7 71.27 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.171 -178.448 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.605 ' OH ' ' CD2' ' A' ' 90' ' ' TRP . 98.2 m-85 -106.42 19.57 20.3 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 -177.536 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.471 ' N ' ' HG ' ' B' ' 19' ' ' SER . 12.9 tptt -138.48 138.26 37.92 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 119.089 -1.044 . . . . 0.0 108.799 178.613 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.502 HD13 ' ND1' ' B' ' 18' ' ' HIS . 18.3 tp -112.45 131.59 55.49 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.345 -0.542 . . . . 0.0 111.543 -178.021 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 48.4 t -103.24 160.08 14.98 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.655 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 21.1 ttpt -52.12 -44.23 64.36 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 120.168 -0.613 . . . . 0.0 111.123 -178.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.586 ' CG ' ' N ' ' B' ' 32' ' ' GLU . 56.4 pttt -58.89 -46.74 87.13 Favored 'General case' 0 N--CA 1.438 -1.052 0 C-N-CA 119.733 -0.787 . . . . 0.0 109.522 -178.739 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.586 ' N ' ' CG ' ' B' ' 31' ' ' LYS . 92.3 mt-10 -62.52 -50.27 72.05 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 119.776 -0.769 . . . . 0.0 112.0 -177.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.04 -37.14 76.28 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 116.824 -1.951 . . . . 0.0 109.121 178.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.691 ' NZ ' HE22 ' B' ' 38' ' ' GLN . 0.8 OUTLIER -53.63 -36.42 62.02 Favored 'General case' 0 N--CA 1.439 -1.016 0 C-N-CA 118.223 -1.391 . . . . 0.0 108.036 -179.406 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . 0.458 ' O ' ' CG2' ' B' ' 39' ' ' THR . 97.1 mt-10 -74.32 -43.46 56.62 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 178.688 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.506 HD12 ' CE1' ' B' ' 18' ' ' HIS . 5.4 tt -67.94 -47.96 67.21 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 118.842 -1.143 . . . . 0.0 112.422 -177.09 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.538 ' O ' ' O ' ' B' ' 41' ' ' LEU . 1.5 mm? -59.43 -42.22 91.38 Favored 'General case' 0 CA--C 1.517 -0.309 0 C-N-CA 118.258 -1.377 . . . . 0.0 110.03 -178.803 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.691 HE22 ' NZ ' ' B' ' 34' ' ' LYS . 95.1 mt-30 -64.72 -39.85 94.34 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.403 -0.519 . . . . 0.0 111.767 178.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.458 ' CG2' ' O ' ' B' ' 35' ' ' GLU . 61.0 p -71.17 -41.18 70.72 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 112.821 0.675 . . . . 0.0 112.821 -178.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -91.32 -49.59 6.27 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.538 ' O ' ' O ' ' B' ' 37' ' ' LEU . 28.6 mt -103.82 141.55 35.92 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 121.179 0.514 . . . . 0.0 111.984 -178.223 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.1 m -113.55 -65.37 1.19 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.119 178.339 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.78 -38.34 91.9 Favored Glycine 0 CA--C 1.532 1.097 0 CA-C-N 115.545 -0.752 . . . . 0.0 114.051 -178.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -60.51 -53.33 58.86 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 118.148 0.974 . . . . 0.0 112.316 -177.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -74.15 -38.76 63.65 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.133 178.042 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 58.6 t0 -59.66 -30.22 68.6 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.118 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.14 -31.36 61.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.137 -177.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -95.94 115.68 27.8 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 119.528 -0.869 . . . . 0.0 109.073 178.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -63.1 -39.24 94.11 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 -178.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -69.63 142.54 53.45 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 113.04 0.756 . . . . 0.0 113.04 -177.018 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 4.8 m -72.21 -27.65 27.24 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.228 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 177.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -61.04 -23.61 65.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 114.056 -1.429 . . . . 0.0 109.074 178.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.85 -37.67 52.91 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.721 -177.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.46 ' CG1' ' N ' ' B' ' 55' ' ' ASP . 10.7 p -59.92 -43.28 91.87 Favored 'Isoleucine or valine' 0 C--O 1.239 0.508 0 C-N-CA 119.308 -0.957 . . . . 0.0 109.742 178.331 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.46 ' N ' ' CG1' ' B' ' 54' ' ' VAL . 91.6 m-20 -61.35 -42.34 98.53 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 120.147 -0.621 . . . . 0.0 109.397 179.208 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 41.7 mttp -60.79 -39.01 87.25 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.211 179.31 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 78.8 t -66.26 -46.08 88.2 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.461 0 CA-C-N 115.903 -0.59 . . . . 0.0 112.542 -179.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -72.52 -34.97 67.96 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 115.014 1.487 . . . . 0.0 115.014 -178.379 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 28.9 mmtm -59.96 -39.64 86.29 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 119.701 -0.8 . . . . 0.0 112.844 -178.469 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -70.16 -35.22 73.85 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 119.264 -0.974 . . . . 0.0 109.825 179.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' B' ' 63' ' ' GLU . 91.0 mt -67.46 -35.45 79.21 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-N 115.837 -0.62 . . . . 0.0 112.139 179.458 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -71.36 73.96 0.72 Allowed 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 118.344 -1.342 . . . . 0.0 109.841 -179.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' B' ' 61' ' ' LEU . 87.5 tt0 -63.63 -38.18 90.16 Favored 'General case' 0 CA--C 1.497 -1.083 0 CA-C-O 123.123 1.439 . . . . 0.0 107.309 176.566 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.483 ' OD1' ' CG ' ' B' ' 66' ' ' ASP . 16.8 t-20 -57.84 -39.67 78.25 Favored 'General case' 0 N--CA 1.429 -1.489 0 CA-C-N 111.573 -2.558 . . . . 0.0 111.364 178.664 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 79.61 19.27 71.42 Favored Glycine 0 CA--C 1.53 0.998 0 CA-C-N 116.307 -0.406 . . . . 0.0 112.709 178.122 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.504 ' O ' ' OE1' ' B' ' 68' ' ' GLU . 54.9 p30 -89.21 2.23 54.54 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 87.53 -3.69 86.26 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.056 -1.218 . . . . 0.0 110.056 179.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.504 ' OE1' ' O ' ' B' ' 66' ' ' ASP . 53.3 mp0 -120.52 159.89 24.28 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.037 -0.582 . . . . 0.0 110.691 179.445 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 61.6 t -105.49 130.92 56.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 106.576 -1.639 . . . . 0.0 106.576 176.339 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.509 ' C ' ' OD1' ' B' ' 70' ' ' ASP . 17.4 p30 -101.47 170.52 8.15 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 119.322 -0.951 . . . . 0.0 110.442 -178.132 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -53.53 -44.52 69.24 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.901 -178.613 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -61.54 -39.96 92.96 Favored 'General case' 0 C--O 1.243 0.738 0 C-N-CA 119.965 -0.694 . . . . 0.0 111.306 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 67.6 mt-10 -64.33 -42.89 96.05 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 122.026 0.917 . . . . 0.0 109.991 179.469 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -63.92 -40.59 96.84 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-O 122.383 1.087 . . . . 0.0 110.407 178.122 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -59.65 -48.02 88.97 Favored 'Isoleucine or valine' 0 C--O 1.249 1.04 0 CA-C-N 113.764 -1.562 . . . . 0.0 109.625 -179.168 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 15.6 m -68.04 -34.02 64.45 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 C-N-CA 118.058 -1.457 . . . . 0.0 109.339 178.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 45.4 tp -55.42 -52.94 61.92 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 118.897 -1.121 . . . . 0.0 112.058 178.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.427 ' O ' ' OG1' ' B' ' 82' ' ' THR . 34.6 m -69.77 -35.48 65.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 C-N-CA 118.59 -1.244 . . . . 0.0 111.734 -178.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.72 -47.59 68.92 Favored 'General case' 0 C--O 1.247 0.965 0 C-N-CA 118.927 -1.109 . . . . 0.0 111.647 -179.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . 0.416 ' O ' HG13 ' B' ' 83' ' ' VAL . . . -63.75 -39.6 94.66 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.227 179.312 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 5.1 mp -64.8 -34.25 77.9 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 119.092 -1.043 . . . . 0.0 109.459 176.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.427 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 42.0 m -63.36 -49.78 72.51 Favored 'General case' 0 C--O 1.244 0.778 0 C-N-CA 119.982 -0.687 . . . . 0.0 111.435 179.502 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . 0.416 HG13 ' O ' ' B' ' 80' ' ' ALA . 14.5 p -63.33 -39.25 84.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 118.845 -1.142 . . . . 0.0 110.386 178.774 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.17 -31.4 72.57 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-O 121.068 0.461 . . . . 0.0 109.876 178.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 44.0 t -66.18 -54.63 22.9 Favored 'General case' 0 CA--C 1.508 -0.637 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.457 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -56.39 -40.96 75.47 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 118.742 -1.183 . . . . 0.0 108.77 179.117 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . 0.662 ' O ' ' HB2' ' B' ' 91' ' ' GLU . 87.3 m-20 -59.14 -41.27 87.89 Favored 'General case' 0 C--O 1.203 -1.394 0 C-N-CA 120.244 -0.582 . . . . 0.0 109.589 178.377 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.541 ' O ' ' O ' ' B' ' 91' ' ' GLU . 67.9 t80 -64.28 -40.86 96.83 Favored 'General case' 0 C--N 1.304 -1.396 0 C-N-CA 118.315 -1.354 . . . . 0.0 110.934 178.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -64.62 -60.59 2.95 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 120.019 -0.672 . . . . 0.0 112.185 -178.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 90' ' ' TRP . . . . . 0.612 ' CD2' ' OH ' ' A' ' 26' ' ' TYR . 19.3 t-105 -68.55 -44.14 75.16 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 119.847 -0.741 . . . . 0.0 111.362 179.096 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . 0.662 ' HB2' ' O ' ' B' ' 87' ' ' ASN . 59.0 mm-40 . . . . . 0 C--N 1.321 -0.663 0 CA-C-N 114.617 -1.174 . . . . 0.0 111.435 -179.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 . . . . . 0 C--O 1.233 0.23 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.3 tt -64.13 -42.85 96.65 Favored 'General case' 0 C--O 1.241 0.607 0 C-N-CA 119.695 -0.802 . . . . 0.0 109.263 -179.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.456 ' C ' ' OE1' ' A' ' 5' ' ' GLU . 7.5 tm-20 -64.35 -40.04 95.08 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.362 179.472 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 46.1 m -60.25 -40.21 89.51 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 178.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.45 -44.07 95.55 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.133 179.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 97.7 mtp -58.96 -41.29 87.16 Favored 'General case' 0 C--O 1.247 0.958 0 CA-C-O 121.728 0.775 . . . . 0.0 109.43 178.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -64.91 -35.42 81.1 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.115 178.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 48.5 m -64.11 -43.76 94.34 Favored 'General case' 0 N--CA 1.446 -0.633 0 C-N-CA 119.872 -0.731 . . . . 0.0 110.154 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 40.1 mt -62.41 -43.34 99.04 Favored 'General case' 0 C--O 1.242 0.675 0 C-N-CA 119.417 -0.913 . . . . 0.0 109.297 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.424 HD11 HG23 ' A' ' 12' ' ' ILE . 98.9 mt -61.94 -46.73 95.86 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 C-N-CA 119.834 -0.746 . . . . 0.0 111.3 179.05 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -61.45 -41.86 97.86 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 -178.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.6 m -73.95 -41.8 53.05 Favored 'Isoleucine or valine' 0 C--O 1.257 1.448 0 C-N-CA 119.082 -1.047 . . . . 0.0 111.956 -179.138 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -60.47 -47.62 85.33 Favored 'General case' 0 CA--C 1.508 -0.648 0 C-N-CA 119.022 -1.071 . . . . 0.0 109.549 178.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -64.17 -35.14 79.8 Favored 'General case' 0 CA--C 1.501 -0.91 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.155 178.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.552 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . -57.29 -52.59 64.73 Favored 'General case' 0 N--CA 1.437 -1.119 0 C-N-CA 118.737 -1.185 . . . . 0.0 110.085 -178.571 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.433 ' CD2' ' HG ' ' A' ' 36' ' ' LEU . 20.6 m-70 -78.89 -49.76 12.34 Favored 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 118.381 -1.327 . . . . 0.0 114.047 -179.509 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.538 ' HG ' ' N ' ' A' ' 26' ' ' TYR . 40.4 t -57.72 -42.1 83.11 Favored 'General case' 0 CA--C 1.516 -0.345 0 C-N-CA 119.424 -0.911 . . . . 0.0 110.754 -178.644 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -77.88 -43.27 14.7 Favored Glycine 0 CA--C 1.527 0.808 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.017 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.552 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 7.3 ttpm? -58.75 -42.25 88.45 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 113.415 0.894 . . . . 0.0 113.415 -179.193 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.528 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 85.3 tt0 -126.97 141.58 51.76 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 112.891 0.7 . . . . 0.0 112.891 -178.247 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.88 -150.77 52.16 Favored Glycine 0 C--N 1.335 0.475 0 CA-C-N 115.273 -0.876 . . . . 0.0 112.228 177.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -68.56 146.35 53.17 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.028 -0.586 . . . . 0.0 109.529 179.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.3 mtmm -85.48 151.81 23.67 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 -179.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.596 ' OH ' ' CE3' ' B' ' 90' ' ' TRP . 93.3 m-85 61.34 10.59 3.17 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.52 ' NZ ' ' OD2' ' A' ' 66' ' ' ASP . 23.6 tptt -138.14 132.03 31.34 Favored 'General case' 0 C--O 1.236 0.353 0 N-CA-C 105.386 -2.079 . . . . 0.0 105.386 175.071 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.3 tp -110.8 122.96 49.13 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.265 -176.123 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.458 ' HA ' ' OE1' ' A' ' 68' ' ' GLU . 81.9 p -86.57 165.86 15.87 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 120.901 -0.32 . . . . 0.0 111.188 -179.54 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.0 ttpm? -56.8 -48.16 78.57 Favored 'General case' 0 C--O 1.243 0.74 0 CA-C-O 121.384 0.612 . . . . 0.0 112.274 -178.311 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.565 ' CG ' ' N ' ' A' ' 32' ' ' GLU . 24.3 pttm -60.84 -47.12 87.8 Favored 'General case' 0 N--CA 1.441 -0.919 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.634 -178.525 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.565 ' N ' ' CG ' ' A' ' 31' ' ' LYS . 97.1 mt-10 -62.23 -47.78 82.9 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.481 -0.781 . . . . 0.0 112.244 -178.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.66 -34.94 76.59 Favored 'General case' 0 CA--C 1.502 -0.891 0 C-N-CA 117.999 -1.48 . . . . 0.0 109.311 179.518 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.686 ' NZ ' ' NE2' ' A' ' 38' ' ' GLN . 1.8 tptm -55.22 -37.03 66.61 Favored 'General case' 0 N--CA 1.44 -0.933 0 C-N-CA 118.179 -1.408 . . . . 0.0 108.189 178.087 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.45 ' O ' ' CG2' ' A' ' 39' ' ' THR . 96.9 mt-10 -74.12 -41.45 61.58 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 112.984 0.735 . . . . 0.0 112.984 179.54 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.433 ' HG ' ' CD2' ' A' ' 18' ' ' HIS . 3.0 tt -65.01 -45.25 86.33 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 120.02 -0.672 . . . . 0.0 111.169 -177.391 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.569 ' O ' ' O ' ' A' ' 41' ' ' LEU . 0.9 OUTLIER -65.0 -44.09 90.4 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 119.328 -0.949 . . . . 0.0 111.311 179.884 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.686 ' NE2' ' NZ ' ' A' ' 34' ' ' LYS . 95.7 mt-30 -63.58 -39.12 93.57 Favored 'General case' 0 CA--C 1.519 -0.216 0 C-N-CA 120.349 -0.54 . . . . 0.0 111.514 179.66 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.45 ' CG2' ' O ' ' A' ' 35' ' ' GLU . 62.5 p -71.46 -32.85 68.79 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.499 -0.48 . . . . 0.0 111.116 179.709 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -101.75 -60.01 1.6 Allowed 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 113.383 0.882 . . . . 0.0 113.383 -179.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.569 ' O ' ' O ' ' A' ' 37' ' ' LEU . 54.3 mt -99.07 141.55 31.69 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 121.267 0.556 . . . . 0.0 111.535 -179.063 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.9 t -113.41 -59.26 2.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.507 179.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.11 -39.5 92.25 Favored Glycine 0 CA--C 1.532 1.121 0 CA-C-N 116.152 -0.477 . . . . 0.0 114.162 -177.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -63.08 -54.4 38.59 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 118.067 0.933 . . . . 0.0 112.706 -178.095 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -73.97 -37.87 64.35 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 120.526 -0.47 . . . . 0.0 112.105 178.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -59.32 -29.33 67.56 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.136 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.98 -31.75 61.05 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.512 -177.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 81.3 mm-40 -96.81 118.88 34.22 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 119.391 -0.924 . . . . 0.0 109.197 179.021 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 69.1 tttt -63.18 -40.18 96.79 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 114.179 1.177 . . . . 0.0 114.179 -178.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -71.37 142.51 50.36 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 113.125 0.787 . . . . 0.0 113.125 -177.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.9 m -72.13 -28.56 29.81 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.111 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 177.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -60.54 -25.39 66.11 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 114.3 -1.318 . . . . 0.0 108.987 177.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.6 -37.61 50.79 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 114.693 -1.14 . . . . 0.0 110.848 -177.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.499 ' CG1' ' N ' ' A' ' 55' ' ' ASP . 8.2 p -60.42 -42.43 91.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 119.273 -0.971 . . . . 0.0 109.653 178.478 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.499 ' N ' ' CG1' ' A' ' 54' ' ' VAL . 56.1 t0 -61.79 -41.63 97.98 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 179.037 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 48.1 mttm -60.67 -39.75 89.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.523 179.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 69.9 t -65.77 -45.86 90.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 C-N-CA 120.545 -0.462 . . . . 0.0 111.192 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.1 ppp? -69.7 -33.81 73.04 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 114.289 1.218 . . . . 0.0 114.289 -178.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.7 mtmt -59.18 -40.58 86.14 Favored 'General case' 0 CA--C 1.521 -0.169 0 C-N-CA 119.015 -1.074 . . . . 0.0 111.373 -179.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -64.24 -39.95 95.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.36 0.6 . . . . 0.0 110.676 178.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.442 ' O ' ' CD ' ' A' ' 73' ' ' GLU . 80.5 mt -68.33 -34.45 76.14 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.153 -0.93 . . . . 0.0 112.987 -179.168 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.573 ' OD2' ' N ' ' A' ' 67' ' ' GLY . 47.8 t0 -73.38 82.78 1.42 Allowed 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 118.42 -1.312 . . . . 0.0 111.413 -177.814 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -67.18 -46.41 74.04 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 122.653 1.216 . . . . 0.0 112.257 177.15 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 31.8 m120 -57.27 -34.88 69.11 Favored 'General case' 0 C--N 1.299 -1.605 0 CA-C-N 112.38 -2.191 . . . . 0.0 113.259 -177.086 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 89.27 4.17 74.56 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 108.121 -1.992 . . . . 0.0 108.121 -177.167 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.655 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 46.5 p30 -62.23 -30.59 71.2 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 114.132 -1.034 . . . . 0.0 111.411 179.546 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.655 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 100.3 -5.73 57.55 Favored Glycine 0 CA--C 1.52 0.38 0 N-CA-C 110.65 -0.98 . . . . 0.0 110.65 -179.597 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.458 ' OE1' ' HA ' ' A' ' 29' ' ' SER . 29.1 mm-40 -122.62 165.97 15.61 Favored 'General case' 0 C--O 1.242 0.67 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 178.05 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 38.4 t -98.65 132.25 44.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 178.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -96.17 159.28 15.04 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.239 0.542 . . . . 0.0 111.64 -178.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -50.52 -45.06 56.45 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.799 -178.145 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -61.51 -39.97 92.91 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 119.777 -0.769 . . . . 0.0 110.63 178.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.442 ' CD ' ' O ' ' A' ' 61' ' ' LEU . 94.0 mt-10 -65.27 -42.15 93.52 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 121.976 0.893 . . . . 0.0 110.325 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -63.85 -40.37 96.42 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-O 122.256 1.027 . . . . 0.0 109.548 178.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -60.84 -48.12 90.28 Favored 'Isoleucine or valine' 0 C--O 1.245 0.865 0 CA-C-N 113.78 -1.555 . . . . 0.0 110.397 -179.287 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 12.8 m -68.06 -34.05 64.57 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 C-N-CA 118.063 -1.455 . . . . 0.0 109.249 178.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 51.2 tp -56.55 -52.58 64.26 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 119.049 -1.06 . . . . 0.0 111.925 178.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.517 ' O ' ' OG1' ' A' ' 82' ' ' THR . 33.9 m -69.69 -36.62 71.15 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 C-N-CA 118.607 -1.237 . . . . 0.0 111.921 -178.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.43 -48.05 65.61 Favored 'General case' 0 C--O 1.249 1.067 0 C-N-CA 119.084 -1.046 . . . . 0.0 111.855 -179.359 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.3 -40.58 97.75 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 179.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.0 mp -65.47 -33.51 76.1 Favored 'General case' 0 C--O 1.219 -0.535 0 C-N-CA 119.224 -0.991 . . . . 0.0 109.8 176.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.517 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 34.4 m -63.05 -51.47 66.58 Favored 'General case' 0 C--O 1.249 1.066 0 C-N-CA 119.737 -0.785 . . . . 0.0 111.299 179.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 14.0 p -63.25 -39.08 83.92 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 119.428 -0.909 . . . . 0.0 110.718 178.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.513 ' O ' ' CD2' ' A' ' 88' ' ' PHE . . . -65.17 -34.98 79.66 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 120.486 -0.485 . . . . 0.0 109.849 178.834 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 31.0 t -62.87 -55.96 21.56 Favored 'General case' 0 CA--C 1.507 -0.677 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.89 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -57.32 -39.28 75.51 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 118.299 -1.361 . . . . 0.0 108.956 178.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -59.27 -40.22 85.39 Favored 'General case' 0 C--N 1.338 0.086 0 C-N-CA 120.464 -0.495 . . . . 0.0 110.943 179.217 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.537 ' O ' ' O ' ' A' ' 91' ' ' GLU . 61.1 m-85 -67.57 -39.99 84.89 Favored 'General case' 0 CA--C 1.52 -0.175 0 C-N-CA 119.781 -0.768 . . . . 0.0 111.059 178.664 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -62.53 -52.45 63.4 Favored 'General case' 0 C--N 1.33 -0.283 0 C-N-CA 119.691 -0.804 . . . . 0.0 111.255 -179.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.602 ' CE3' ' OH ' ' B' ' 26' ' ' TYR . 23.1 t-105 -67.55 -39.94 84.98 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 121.16 0.505 . . . . 0.0 112.306 178.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.537 ' O ' ' O ' ' A' ' 88' ' ' PHE . 4.6 tm-20 . . . . . 0 C--N 1.321 -0.653 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.929 -176.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 . . . . . 0 C--O 1.234 0.241 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 5.3 tt -64.14 -42.92 96.59 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-O 121.8 0.81 . . . . 0.0 109.229 -179.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . 0.448 ' OE1' ' C ' ' B' ' 5' ' ' GLU . 7.5 tm-20 -64.37 -39.98 94.92 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.381 179.477 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 45.4 m -60.23 -40.14 89.17 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 178.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.5 -43.97 95.66 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.142 179.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 97.7 mtp -59.05 -41.31 87.58 Favored 'General case' 0 C--O 1.248 0.982 0 CA-C-O 121.778 0.799 . . . . 0.0 109.501 178.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -64.83 -36.24 83.69 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.956 178.281 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 46.5 m -63.25 -44.08 96.2 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 119.962 -0.695 . . . . 0.0 110.314 179.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 45.2 mt -62.42 -43.22 99.34 Favored 'General case' 0 C--O 1.241 0.615 0 C-N-CA 119.434 -0.906 . . . . 0.0 109.338 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.41 HD11 HG23 ' B' ' 12' ' ' ILE . 98.9 mt -61.88 -46.68 95.97 Favored 'Isoleucine or valine' 0 C--O 1.232 0.143 0 C-N-CA 119.796 -0.762 . . . . 0.0 111.335 178.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -61.5 -41.93 98.03 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 -178.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 14.5 m -73.88 -41.87 53.55 Favored 'Isoleucine or valine' 0 C--O 1.257 1.468 0 C-N-CA 119.2 -1.0 . . . . 0.0 111.908 -179.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -60.49 -47.62 85.34 Favored 'General case' 0 CA--C 1.508 -0.656 0 C-N-CA 119.008 -1.077 . . . . 0.0 109.529 178.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -64.25 -35.06 79.6 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.07 178.233 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.549 ' O ' ' CB ' ' B' ' 21' ' ' LYS . . . -57.36 -52.6 64.72 Favored 'General case' 0 N--CA 1.436 -1.163 0 C-N-CA 118.764 -1.174 . . . . 0.0 110.009 -178.542 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.441 ' CD2' ' HG ' ' B' ' 36' ' ' LEU . 20.6 m-70 -78.68 -49.81 12.51 Favored 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 118.412 -1.315 . . . . 0.0 114.093 -179.564 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.532 ' HG ' ' N ' ' B' ' 26' ' ' TYR . 40.6 t -57.78 -42.24 83.68 Favored 'General case' 0 CA--C 1.516 -0.364 0 C-N-CA 119.537 -0.865 . . . . 0.0 110.713 -178.612 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -77.82 -43.36 14.69 Favored Glycine 0 CA--C 1.528 0.886 0 C-N-CA 120.796 -0.716 . . . . 0.0 111.997 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . 0.549 ' CB ' ' O ' ' B' ' 17' ' ' ALA . 7.3 ttpm? -58.73 -42.25 88.34 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 -179.152 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.534 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 85.3 tt0 -126.87 141.71 51.74 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 119.924 -0.71 . . . . 0.0 112.892 -178.342 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.75 -150.65 52.06 Favored Glycine 0 C--N 1.334 0.418 0 CA-C-N 115.304 -0.862 . . . . 0.0 112.238 177.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -68.56 146.31 53.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.036 -0.582 . . . . 0.0 109.521 179.203 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 24.2 mtmm -85.45 151.82 23.68 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 -179.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.602 ' OH ' ' CE3' ' A' ' 90' ' ' TRP . 93.3 m-85 61.33 10.51 3.12 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.512 ' NZ ' ' OD2' ' B' ' 66' ' ' ASP . 25.5 tptt -137.95 132.23 32.04 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 105.436 -2.061 . . . . 0.0 105.436 175.016 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 19.2 tp -110.93 122.88 48.98 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.449 -0.5 . . . . 0.0 110.309 -176.272 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.463 ' HA ' ' OE1' ' B' ' 68' ' ' GLU . 81.9 p -86.59 165.97 15.76 Favored 'General case' 0 C--N 1.332 -0.196 0 C-N-CA 120.884 -0.326 . . . . 0.0 111.152 -179.475 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 5.0 ttpm? -56.83 -48.24 78.47 Favored 'General case' 0 C--O 1.243 0.737 0 CA-C-O 121.492 0.663 . . . . 0.0 112.191 -178.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.571 ' CG ' ' N ' ' B' ' 32' ' ' GLU . 24.2 pttm -60.95 -47.04 88.25 Favored 'General case' 0 N--CA 1.441 -0.9 0 C-N-CA 119.931 -0.708 . . . . 0.0 109.552 -178.427 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.571 ' N ' ' CG ' ' B' ' 31' ' ' LYS . 97.1 mt-10 -62.24 -47.73 83.11 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.536 -0.756 . . . . 0.0 112.23 -178.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.69 -34.87 76.52 Favored 'General case' 0 CA--C 1.502 -0.884 0 C-N-CA 118.08 -1.448 . . . . 0.0 109.417 179.49 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.701 ' NZ ' HE22 ' B' ' 38' ' ' GLN . 1.8 tptm -55.24 -37.11 66.79 Favored 'General case' 0 N--CA 1.44 -0.945 0 C-N-CA 118.139 -1.424 . . . . 0.0 108.146 178.01 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . 0.451 ' O ' ' CG2' ' B' ' 39' ' ' THR . 97.0 mt-10 -74.06 -41.46 61.71 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 112.943 0.72 . . . . 0.0 112.943 179.592 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.441 ' HG ' ' CD2' ' B' ' 18' ' ' HIS . 3.1 tt -64.93 -45.35 86.21 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 120.082 -0.647 . . . . 0.0 111.146 -177.353 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.567 ' O ' ' O ' ' B' ' 41' ' ' LEU . 0.9 OUTLIER -64.89 -44.27 90.16 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 119.312 -0.955 . . . . 0.0 111.231 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.701 HE22 ' NZ ' ' B' ' 34' ' ' LYS . 95.7 mt-30 -63.47 -39.17 93.76 Favored 'General case' 0 CA--C 1.52 -0.198 0 C-N-CA 120.328 -0.549 . . . . 0.0 111.467 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.451 ' CG2' ' O ' ' B' ' 35' ' ' GLU . 60.1 p -71.47 -32.8 68.69 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.439 -0.504 . . . . 0.0 111.074 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -101.8 -60.02 1.6 Allowed 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 -179.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.567 ' O ' ' O ' ' B' ' 37' ' ' LEU . 54.4 mt -99.07 141.55 31.69 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 121.281 0.562 . . . . 0.0 111.55 -179.072 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 5.0 t -113.53 -59.21 2.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.446 179.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.02 -39.5 92.04 Favored Glycine 0 CA--C 1.532 1.124 0 CA-C-N 116.172 -0.467 . . . . 0.0 114.155 -178.058 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -63.11 -54.38 38.75 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 118.045 0.923 . . . . 0.0 112.744 -178.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -73.92 -37.92 64.48 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 120.54 -0.464 . . . . 0.0 112.126 178.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -59.31 -29.4 67.59 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.94 -31.69 60.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.508 -177.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -96.94 118.94 34.45 Favored 'General case' 0 N--CA 1.462 0.151 0 C-N-CA 119.367 -0.933 . . . . 0.0 109.109 179.059 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 69.2 tttt -63.16 -40.16 96.74 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 114.174 1.176 . . . . 0.0 114.174 -178.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -71.52 142.61 50.12 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 -177.241 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 4.9 m -72.15 -28.58 29.78 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.169 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 177.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -60.61 -25.28 66.14 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 114.403 -1.271 . . . . 0.0 109.064 177.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.71 -37.5 51.13 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 114.69 -1.141 . . . . 0.0 110.881 -178.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.503 ' CG1' ' N ' ' B' ' 55' ' ' ASP . 8.1 p -60.47 -42.38 91.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 119.255 -0.978 . . . . 0.0 109.655 178.425 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.503 ' N ' ' CG1' ' B' ' 54' ' ' VAL . 56.0 t0 -61.69 -41.86 98.15 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 178.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 48.0 mttm -60.51 -39.76 88.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.575 179.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 69.8 t -65.84 -45.74 90.6 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 C-N-CA 120.622 -0.431 . . . . 0.0 111.232 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 1.1 ppp? -69.75 -33.83 72.98 Favored 'General case' 0 CA--C 1.535 0.404 0 N-CA-C 114.306 1.225 . . . . 0.0 114.306 -178.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 13.7 mtmt -59.2 -40.63 86.35 Favored 'General case' 0 CA--C 1.521 -0.142 0 C-N-CA 119.053 -1.059 . . . . 0.0 111.306 -179.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -64.3 -39.89 94.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.244 0.545 . . . . 0.0 110.607 178.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.432 ' O ' ' CD ' ' B' ' 73' ' ' GLU . 80.4 mt -68.27 -34.57 76.42 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.261 -0.881 . . . . 0.0 112.964 -179.201 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.578 ' OD2' ' N ' ' B' ' 67' ' ' GLY . 47.9 t0 -73.36 82.79 1.41 Allowed 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 118.375 -1.33 . . . . 0.0 111.375 -177.735 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -67.13 -46.42 74.16 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 122.621 1.201 . . . . 0.0 112.281 177.08 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 31.8 m120 -57.32 -34.9 69.22 Favored 'General case' 0 C--N 1.299 -1.612 0 CA-C-N 112.472 -2.149 . . . . 0.0 113.229 -177.092 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 89.22 4.19 74.66 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 108.164 -1.974 . . . . 0.0 108.164 -177.127 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.659 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 46.6 p30 -62.18 -30.72 71.26 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 114.084 -1.058 . . . . 0.0 111.37 179.572 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.659 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 100.44 -5.78 57.34 Favored Glycine 0 CA--C 1.52 0.369 0 N-CA-C 110.659 -0.976 . . . . 0.0 110.659 -179.539 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.463 ' OE1' ' HA ' ' B' ' 29' ' ' SER . 29.2 mm-40 -122.68 166.04 15.55 Favored 'General case' 0 C--O 1.243 0.728 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 178.047 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 38.6 t -98.65 132.34 44.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 178.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -95.76 159.2 15.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.259 0.552 . . . . 0.0 111.56 -178.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -50.65 -45.01 57.66 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.741 -178.499 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -61.64 -39.92 93.06 Favored 'General case' 0 C--O 1.241 0.653 0 C-N-CA 119.842 -0.743 . . . . 0.0 110.552 178.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.432 ' CD ' ' O ' ' B' ' 61' ' ' LEU . 94.1 mt-10 -65.36 -41.99 93.25 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-O 121.884 0.849 . . . . 0.0 110.359 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -63.97 -40.35 96.21 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-O 122.222 1.011 . . . . 0.0 109.474 178.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -60.85 -48.19 90.01 Favored 'Isoleucine or valine' 0 C--O 1.245 0.856 0 CA-C-N 113.822 -1.535 . . . . 0.0 110.365 -179.303 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 13.0 m -68.15 -33.96 63.81 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 C-N-CA 117.944 -1.503 . . . . 0.0 109.172 178.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 51.3 tp -56.57 -52.58 64.27 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 119.06 -1.056 . . . . 0.0 111.896 178.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.511 ' O ' ' OG1' ' B' ' 82' ' ' THR . 33.9 m -69.64 -36.68 71.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 C-N-CA 118.575 -1.25 . . . . 0.0 111.957 -178.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.36 -48.04 65.83 Favored 'General case' 0 C--O 1.249 1.056 0 C-N-CA 119.149 -1.02 . . . . 0.0 111.907 -179.361 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.4 -40.49 97.35 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 179.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 5.9 mp -65.46 -33.49 76.05 Favored 'General case' 0 C--O 1.218 -0.571 0 C-N-CA 119.17 -1.012 . . . . 0.0 109.806 176.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.511 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 35.4 m -63.14 -51.38 66.71 Favored 'General case' 0 C--O 1.249 1.062 0 C-N-CA 119.634 -0.826 . . . . 0.0 111.236 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 14.0 p -63.23 -39.04 83.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 119.308 -0.957 . . . . 0.0 110.749 178.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . 0.511 ' O ' ' CD2' ' B' ' 88' ' ' PHE . . . -65.18 -34.88 79.42 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 120.445 -0.502 . . . . 0.0 109.857 178.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 31.6 t -62.98 -55.95 21.32 Favored 'General case' 0 CA--C 1.508 -0.669 0 CA-C-N 115.463 -0.789 . . . . 0.0 109.818 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -57.34 -39.34 75.7 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 118.417 -1.313 . . . . 0.0 108.859 179.012 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -59.32 -40.25 85.68 Favored 'General case' 0 C--N 1.337 0.06 0 C-N-CA 120.484 -0.486 . . . . 0.0 110.901 179.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.543 ' O ' ' O ' ' B' ' 91' ' ' GLU . 61.2 m-85 -67.51 -40.09 85.13 Favored 'General case' 0 CA--C 1.522 -0.132 0 C-N-CA 119.873 -0.731 . . . . 0.0 111.04 178.657 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -62.48 -52.39 63.69 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 119.637 -0.825 . . . . 0.0 111.297 -179.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 90' ' ' TRP . . . . . 0.596 ' CE3' ' OH ' ' A' ' 26' ' ' TYR . 23.1 t-105 -67.62 -39.92 84.69 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 121.194 0.521 . . . . 0.0 112.3 179.013 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . 0.543 ' O ' ' O ' ' B' ' 88' ' ' PHE . 4.6 tm-20 . . . . . 0 C--N 1.321 -0.65 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.961 -176.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 . . . . . 0 C--O 1.238 0.481 0 N-CA-C 111.941 0.348 . . . . 0.0 111.941 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.7 tt -61.04 -41.18 96.1 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 -178.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.52 -37.57 87.16 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.369 178.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 43.8 m -59.16 -41.05 87.45 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 179.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.64 -46.13 83.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.43 179.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.413 ' HE1' ' HG1' ' B' ' 82' ' ' THR . 99.4 mtp -59.39 -41.56 89.68 Favored 'General case' 0 C--O 1.248 1.018 0 CA-C-O 121.724 0.773 . . . . 0.0 109.834 179.602 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -65.41 -35.58 81.36 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.239 177.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 49.1 m -63.81 -42.99 97.57 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 119.589 -0.844 . . . . 0.0 109.892 179.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 37.9 mt -61.76 -42.58 99.17 Favored 'General case' 0 C--O 1.24 0.553 0 C-N-CA 119.043 -1.063 . . . . 0.0 108.798 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.4 mt -61.19 -45.66 98.16 Favored 'Isoleucine or valine' 0 C--O 1.231 0.113 0 C-N-CA 119.693 -0.803 . . . . 0.0 111.221 178.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -62.15 -41.76 98.59 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 113.14 0.792 . . . . 0.0 113.14 -178.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.8 m -73.78 -41.21 54.3 Favored 'Isoleucine or valine' 0 C--O 1.256 1.419 0 C-N-CA 119.27 -0.972 . . . . 0.0 111.569 -179.195 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.434 ' CE2' ' CG ' ' A' ' 71' ' ' PHE . 84.5 t80 -59.96 -47.95 83.71 Favored 'General case' 0 CA--C 1.509 -0.597 0 C-N-CA 119.585 -0.846 . . . . 0.0 109.793 177.615 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -65.78 -34.0 77.17 Favored 'General case' 0 CA--C 1.504 -0.824 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.595 178.164 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.525 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . -58.55 -52.58 65.06 Favored 'General case' 0 N--CA 1.438 -1.056 0 C-N-CA 118.757 -1.177 . . . . 0.0 110.092 -178.498 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.44 ' CD2' ' HG ' ' A' ' 36' ' ' LEU . 22.0 m-70 -78.84 -48.31 14.95 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 118.618 -1.233 . . . . 0.0 113.595 -179.796 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.641 ' HG ' ' N ' ' A' ' 26' ' ' TYR . 41.8 t -58.29 -44.16 88.38 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 119.549 -0.86 . . . . 0.0 110.74 -179.238 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.1 -43.88 31.47 Favored Glycine 0 CA--C 1.526 0.745 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.81 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.525 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 7.3 ttpm? -59.34 -41.34 88.94 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 -178.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.519 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 49.2 tp10 -122.67 140.87 52.37 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 -178.066 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.36 -141.9 47.88 Favored Glycine 0 CA--C 1.52 0.405 0 CA-C-N 114.88 -1.054 . . . . 0.0 112.595 177.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -70.63 146.44 50.03 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.03 -0.585 . . . . 0.0 109.977 179.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.4 mtmm -86.48 150.34 24.35 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 -179.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.641 ' N ' ' HG ' ' A' ' 19' ' ' SER . 87.7 m-85 60.42 14.76 4.98 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.442 ' HZ3' ' HG2' ' A' ' 68' ' ' GLU . 18.2 tptm -136.47 136.22 39.27 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 106.751 -1.574 . . . . 0.0 106.751 176.684 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.457 ' C ' ' OE2' ' A' ' 68' ' ' GLU . 14.1 tp -115.03 130.74 57.01 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 120.49 -0.484 . . . . 0.0 111.549 -175.41 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.45 ' CA ' ' OE2' ' A' ' 68' ' ' GLU . 39.7 t -104.92 158.62 16.41 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.597 179.575 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.2 ttpt -53.26 -46.44 69.23 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-O 121.253 0.549 . . . . 0.0 111.481 -177.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.607 ' CG ' ' N ' ' A' ' 32' ' ' GLU . 47.5 pttt -59.83 -48.29 82.29 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.674 -178.475 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.607 ' N ' ' CG ' ' A' ' 31' ' ' LYS . 95.3 mt-10 -63.16 -48.28 79.09 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 115.375 -0.829 . . . . 0.0 112.299 -178.402 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.2 pp -62.36 -34.17 76.17 Favored 'General case' 0 CA--C 1.496 -1.115 0 C-N-CA 118.318 -1.353 . . . . 0.0 110.025 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.597 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 14.7 tptp -54.78 -36.51 64.95 Favored 'General case' 0 N--CA 1.434 -1.235 0 C-N-CA 117.5 -1.68 . . . . 0.0 107.629 178.462 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -74.67 -41.91 59.43 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 120.154 -0.619 . . . . 0.0 112.462 178.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.44 ' HG ' ' CD2' ' A' ' 18' ' ' HIS . 2.2 tt -64.62 -45.34 87.28 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 120.298 -0.561 . . . . 0.0 111.299 -177.543 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.568 ' O ' ' N ' ' A' ' 41' ' ' LEU . 1.1 mm? -64.31 -43.05 95.93 Favored 'General case' 0 CA--C 1.521 -0.135 0 C-N-CA 119.038 -1.065 . . . . 0.0 111.17 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.597 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 27.4 mt-30 -63.91 -39.65 94.66 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 120.247 -0.581 . . . . 0.0 112.124 179.515 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 81.3 p -71.2 -37.57 72.09 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 119.733 -0.787 . . . . 0.0 111.427 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -92.5 -53.62 4.13 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.568 ' N ' ' O ' ' A' ' 37' ' ' LEU . 27.9 mt -103.68 141.62 35.75 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.26 0.552 . . . . 0.0 111.096 -179.432 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.547 ' OG ' ' N ' ' A' ' 43' ' ' GLY . 24.9 p -114.53 -67.22 1.01 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.872 179.231 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.547 ' N ' ' OG ' ' A' ' 42' ' ' SER . . . -57.87 -37.78 86.01 Favored Glycine 0 CA--C 1.531 1.044 0 CA-C-N 115.812 -0.631 . . . . 0.0 113.714 -178.647 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -61.02 -53.93 51.19 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 118.015 0.907 . . . . 0.0 112.233 -178.09 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -74.18 -37.49 63.93 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 120.597 -0.441 . . . . 0.0 111.502 178.364 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -59.36 -29.43 67.68 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.042 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.76 -31.72 59.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.706 -177.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 82.0 mm-40 -96.65 119.33 34.93 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 119.351 -0.94 . . . . 0.0 109.124 179.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -62.92 -40.73 98.51 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 114.169 1.174 . . . . 0.0 114.169 -178.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -71.73 142.38 49.79 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 -177.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.0 m -72.05 -29.36 32.57 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.184 0 N-CA-C 107.791 -1.188 . . . . 0.0 107.791 177.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -58.99 -25.07 63.29 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 114.309 -1.314 . . . . 0.0 108.93 177.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.37 -37.73 57.04 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 114.572 -1.194 . . . . 0.0 110.97 -178.02 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.496 ' CG1' ' N ' ' A' ' 55' ' ' ASP . 9.1 p -60.16 -42.47 90.28 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 C-N-CA 119.141 -1.023 . . . . 0.0 109.517 178.598 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.496 ' N ' ' CG1' ' A' ' 54' ' ' VAL . 55.8 t0 -61.91 -42.54 99.21 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.389 178.729 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 55.4 mttm -60.29 -38.98 85.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.31 179.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 72.8 t -65.11 -43.99 95.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.18 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.459 ' CE ' ' O ' ' A' ' 67' ' ' GLY . 1.4 ppp? -70.48 -33.1 70.87 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 115.123 1.527 . . . . 0.0 115.123 -178.266 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.458 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 29.1 mmtm -59.62 -40.12 86.52 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 119.507 -0.877 . . . . 0.0 112.967 -178.456 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -70.53 -35.18 73.01 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 119.455 -0.898 . . . . 0.0 110.1 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.404 ' O ' ' CD ' ' A' ' 73' ' ' GLU . 85.0 mt -67.5 -34.72 77.71 Favored 'General case' 0 CA--C 1.511 -0.537 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.966 179.534 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.613 ' OD2' ' N ' ' A' ' 67' ' ' GLY . 50.2 t0 -75.34 93.37 2.89 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 118.739 -1.184 . . . . 0.0 111.436 -177.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -64.19 -45.98 85.97 Favored 'General case' 0 CA--C 1.508 -0.654 0 CA-C-O 122.586 1.184 . . . . 0.0 111.286 176.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 31.2 m120 -59.12 -33.02 70.36 Favored 'General case' 0 C--N 1.298 -1.635 0 CA-C-N 112.566 -2.106 . . . . 0.0 112.568 -178.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.8 18.47 67.82 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 108.09 -2.004 . . . . 0.0 108.09 -176.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.599 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 50.1 p30 -86.5 5.86 33.31 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 114.172 -1.014 . . . . 0.0 112.375 -178.581 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.613 ' N ' ' OD2' ' A' ' 62' ' ' ASP . . . 63.14 -1.44 1.94 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.161 -1.175 . . . . 0.0 110.161 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.565 ' H ' ' C ' ' A' ' 66' ' ' ASP . 37.0 tp10 -114.89 141.03 48.48 Favored 'General case' 0 C--O 1.239 0.525 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 -179.535 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 46.5 t -102.77 132.61 48.55 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.451 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 -179.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.494 ' C ' ' OD1' ' A' ' 70' ' ' ASP . 28.9 p30 -101.96 172.11 7.12 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 121.194 0.521 . . . . 0.0 110.842 -178.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.434 ' CG ' ' CE2' ' A' ' 15' ' ' PHE . 0.9 OUTLIER -54.07 -45.34 71.69 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.965 -178.403 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -61.74 -41.04 97.14 Favored 'General case' 0 C--O 1.245 0.827 0 C-N-CA 119.841 -0.743 . . . . 0.0 111.84 -179.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.404 ' CD ' ' O ' ' A' ' 61' ' ' LEU . 94.1 mt-10 -64.72 -41.74 95.76 Favored 'General case' 0 C--O 1.241 0.657 0 CA-C-O 122.08 0.943 . . . . 0.0 109.985 179.387 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 70.3 t80 -63.71 -40.98 98.11 Favored 'General case' 0 C--O 1.241 0.62 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.19 178.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -60.0 -47.69 90.78 Favored 'Isoleucine or valine' 0 C--O 1.248 0.99 0 CA-C-N 113.926 -1.488 . . . . 0.0 109.817 -179.092 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 14.3 m -67.46 -34.43 68.52 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 C-N-CA 117.727 -1.589 . . . . 0.0 109.313 178.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 43.6 tp -55.95 -51.56 67.25 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 118.671 -1.212 . . . . 0.0 111.925 178.095 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 35.1 m -69.13 -36.2 72.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 118.544 -1.262 . . . . 0.0 111.764 -178.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.92 -47.68 68.08 Favored 'General case' 0 C--O 1.251 1.143 0 C-N-CA 119.052 -1.059 . . . . 0.0 111.814 -179.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.4 ' O ' HG11 ' A' ' 83' ' ' VAL . . . -63.21 -39.89 95.92 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.261 179.492 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.0 mp -65.25 -34.88 79.41 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 119.184 -1.006 . . . . 0.0 109.714 176.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.425 ' HG1' ' HE1' ' B' ' 8' ' ' MET . 39.2 m -62.79 -50.59 70.4 Favored 'General case' 0 C--O 1.249 1.045 0 C-N-CA 119.704 -0.798 . . . . 0.0 111.386 179.739 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.4 HG11 ' O ' ' A' ' 80' ' ' ALA . 14.1 p -63.21 -38.84 83.18 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 119.081 -1.048 . . . . 0.0 110.588 178.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.42 ' O ' ' CD2' ' A' ' 88' ' ' PHE . . . -64.83 -34.25 77.93 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 120.429 -0.508 . . . . 0.0 109.906 178.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 40.6 t -63.48 -54.5 35.41 Favored 'General case' 0 CA--C 1.508 -0.647 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.342 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -55.77 -40.4 72.56 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 118.522 -1.271 . . . . 0.0 108.702 178.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.676 ' O ' ' HB2' ' A' ' 91' ' ' GLU . 86.6 m-20 -59.77 -42.07 92.47 Favored 'General case' 0 C--O 1.204 -1.33 0 C-N-CA 120.172 -0.611 . . . . 0.0 110.563 178.734 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.522 ' O ' ' O ' ' A' ' 91' ' ' GLU . 75.9 m-85 -66.06 -36.2 82.58 Favored 'General case' 0 C--N 1.31 -1.115 0 C-N-CA 117.061 -1.856 . . . . 0.0 110.558 178.644 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -64.94 -61.8 1.95 Allowed 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 119.51 -0.876 . . . . 0.0 112.154 -178.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.517 ' CE3' ' OH ' ' B' ' 26' ' ' TYR . 19.8 t-105 -68.76 -43.07 76.57 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 121.625 0.726 . . . . 0.0 111.595 179.043 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.676 ' HB2' ' O ' ' A' ' 87' ' ' ASN . 67.9 mm-40 . . . . . 0 C--N 1.321 -0.658 0 CA-C-N 114.602 -1.181 . . . . 0.0 111.426 -179.023 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 . . . . . 0 C--O 1.238 0.494 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 5.7 tt -61.13 -41.26 96.4 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -178.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.43 -37.67 87.6 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.393 178.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 43.8 m -59.14 -40.99 87.22 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.69 -46.11 83.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.526 179.192 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' MET . . . . . 0.425 ' HE1' ' HG1' ' A' ' 82' ' ' THR . 99.4 mtp -59.43 -41.52 89.77 Favored 'General case' 0 C--O 1.248 0.976 0 CA-C-O 121.613 0.72 . . . . 0.0 109.932 179.519 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -65.23 -36.51 84.39 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.161 177.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 45.9 m -62.89 -43.3 99.17 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 119.709 -0.796 . . . . 0.0 110.042 179.164 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 43.7 mt -61.79 -42.47 99.04 Favored 'General case' 0 C--O 1.24 0.592 0 C-N-CA 119.117 -1.033 . . . . 0.0 108.78 179.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.407 HG22 HD12 ' B' ' 12' ' ' ILE . 97.5 mt -61.19 -45.64 98.2 Favored 'Isoleucine or valine' 0 C--O 1.231 0.114 0 C-N-CA 119.782 -0.767 . . . . 0.0 111.191 178.576 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -62.27 -41.8 98.79 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -178.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 14.5 m -73.71 -41.17 54.76 Favored 'Isoleucine or valine' 0 C--O 1.256 1.419 0 C-N-CA 119.244 -0.982 . . . . 0.0 111.562 -179.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.435 ' CE2' ' CG ' ' B' ' 71' ' ' PHE . 84.3 t80 -59.98 -47.94 83.73 Favored 'General case' 0 CA--C 1.51 -0.562 0 C-N-CA 119.598 -0.841 . . . . 0.0 109.775 177.674 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -65.78 -34.04 77.24 Favored 'General case' 0 CA--C 1.504 -0.81 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.566 178.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.531 ' O ' ' CB ' ' B' ' 21' ' ' LYS . . . -58.53 -52.47 65.49 Favored 'General case' 0 N--CA 1.436 -1.135 0 C-N-CA 118.728 -1.189 . . . . 0.0 110.195 -178.556 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.444 ' CD2' ' HG ' ' B' ' 36' ' ' LEU . 21.7 m-70 -78.93 -48.25 14.91 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 118.543 -1.263 . . . . 0.0 113.513 -179.771 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.643 ' HG ' ' N ' ' B' ' 26' ' ' TYR . 42.5 t -58.39 -44.16 88.83 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 119.685 -0.806 . . . . 0.0 110.676 -179.186 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.12 -43.93 31.21 Favored Glycine 0 CA--C 1.526 0.755 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.779 179.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . 0.531 ' CB ' ' O ' ' B' ' 17' ' ' ALA . 7.3 ttpm? -59.32 -41.29 88.73 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 113.92 1.081 . . . . 0.0 113.92 -178.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.515 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 49.3 tp10 -122.84 140.97 52.37 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 113.313 0.856 . . . . 0.0 113.313 -178.094 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.29 -141.9 47.82 Favored Glycine 0 C--N 1.334 0.454 0 CA-C-N 114.777 -1.101 . . . . 0.0 112.6 177.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -70.58 146.33 50.18 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.083 -0.558 . . . . 0.0 109.944 179.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 25.4 mtmm -86.41 150.26 24.43 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 -179.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.643 ' N ' ' HG ' ' B' ' 19' ' ' SER . 88.0 m-85 60.41 14.88 5.05 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.438 ' HZ3' ' HG2' ' B' ' 68' ' ' GLU . 17.9 tptm -136.47 136.35 39.37 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 106.744 -1.576 . . . . 0.0 106.744 176.58 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.464 ' C ' ' OE2' ' B' ' 68' ' ' GLU . 14.1 tp -115.03 130.65 56.99 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 120.586 -0.445 . . . . 0.0 111.624 -175.456 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.459 ' CA ' ' OE2' ' B' ' 68' ' ' GLU . 40.3 t -104.79 158.48 16.49 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 122.52 0.328 . . . . 0.0 110.624 179.568 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 20.1 ttpt -53.12 -46.54 68.79 Favored 'General case' 0 C--O 1.24 0.561 0 CA-C-O 121.23 0.538 . . . . 0.0 111.506 -177.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.6 ' CG ' ' N ' ' B' ' 32' ' ' GLU . 47.4 pttt -59.82 -48.37 81.95 Favored 'General case' 0 N--CA 1.44 -0.932 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.67 -178.501 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.6 ' N ' ' CG ' ' B' ' 31' ' ' LYS . 95.2 mt-10 -63.12 -48.22 79.46 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.394 -0.821 . . . . 0.0 112.24 -178.406 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.2 pp -62.39 -34.23 76.32 Favored 'General case' 0 CA--C 1.496 -1.104 0 C-N-CA 118.368 -1.333 . . . . 0.0 110.026 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.592 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 14.7 tptp -54.64 -36.6 64.72 Favored 'General case' 0 N--CA 1.433 -1.293 0 C-N-CA 117.551 -1.66 . . . . 0.0 107.691 178.386 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -74.7 -41.78 59.58 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 120.149 -0.62 . . . . 0.0 112.479 178.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.444 ' HG ' ' CD2' ' B' ' 18' ' ' HIS . 2.2 tt -64.68 -45.45 86.64 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 120.306 -0.557 . . . . 0.0 111.281 -177.554 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.573 ' O ' ' N ' ' B' ' 41' ' ' LEU . 1.1 mm? -64.25 -43.12 95.87 Favored 'General case' 0 CA--C 1.521 -0.156 0 C-N-CA 119.131 -1.027 . . . . 0.0 111.111 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.592 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 27.4 mt-30 -63.87 -39.74 94.89 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 120.3 -0.56 . . . . 0.0 111.993 179.608 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 81.4 p -71.18 -37.58 72.16 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 119.76 -0.776 . . . . 0.0 111.378 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -92.52 -53.63 4.12 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.573 ' N ' ' O ' ' B' ' 37' ' ' LEU . 28.0 mt -103.71 141.67 35.67 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.197 0.522 . . . . 0.0 111.118 -179.428 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.551 ' OG ' ' N ' ' B' ' 43' ' ' GLY . 25.1 p -114.62 -67.28 1.01 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.815 179.299 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . 0.551 ' N ' ' OG ' ' B' ' 42' ' ' SER . . . -57.9 -37.73 85.98 Favored Glycine 0 CA--C 1.531 1.052 0 CA-C-N 115.853 -0.612 . . . . 0.0 113.672 -178.603 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -61.09 -53.87 51.67 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 118.042 0.921 . . . . 0.0 112.237 -178.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -74.09 -37.6 64.12 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 120.613 -0.435 . . . . 0.0 111.427 178.367 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -59.32 -29.47 67.65 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.015 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.87 -31.6 59.91 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.642 -177.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -96.6 119.33 34.89 Favored 'General case' 0 C--N 1.333 -0.152 0 C-N-CA 119.388 -0.925 . . . . 0.0 109.132 179.046 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -63.05 -40.6 98.2 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 114.13 1.159 . . . . 0.0 114.13 -178.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -71.85 142.41 49.58 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 -177.289 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 5.0 m -72.05 -29.36 32.53 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.18 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 177.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -59.08 -25.12 63.5 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 114.304 -1.316 . . . . 0.0 108.886 177.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.29 -37.67 56.24 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 114.606 -1.179 . . . . 0.0 111.078 -178.105 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.493 ' CG1' ' N ' ' B' ' 55' ' ' ASP . 9.1 p -60.23 -42.48 90.56 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 C-N-CA 119.141 -1.023 . . . . 0.0 109.47 178.547 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.493 ' N ' ' CG1' ' B' ' 54' ' ' VAL . 55.8 t0 -61.89 -42.48 99.12 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.406 178.741 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 55.3 mttm -60.34 -39.09 85.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.286 179.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 72.0 t -64.92 -44.04 96.19 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.324 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.249 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' MET . . . . . 0.467 ' CE ' ' O ' ' B' ' 67' ' ' GLY . 1.4 ppp? -70.5 -33.08 70.82 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 115.113 1.523 . . . . 0.0 115.113 -178.199 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . 0.46 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 29.1 mmtm -59.61 -40.1 86.42 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 119.533 -0.867 . . . . 0.0 112.931 -178.394 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -70.59 -35.07 72.83 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 119.365 -0.934 . . . . 0.0 110.121 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.405 ' O ' ' CD ' ' B' ' 73' ' ' GLU . 85.1 mt -67.63 -34.72 77.53 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.851 179.579 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.609 ' OD2' ' N ' ' B' ' 67' ' ' GLY . 50.1 t0 -75.41 93.49 2.95 Favored 'General case' 0 N--CA 1.446 -0.647 0 C-N-CA 118.775 -1.17 . . . . 0.0 111.423 -178.007 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -64.24 -45.98 85.8 Favored 'General case' 0 CA--C 1.508 -0.652 0 CA-C-O 122.589 1.185 . . . . 0.0 111.238 176.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 31.1 m120 -59.18 -33.04 70.47 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-N 112.556 -2.111 . . . . 0.0 112.49 -178.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.81 18.51 67.7 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 108.1 -2.0 . . . . 0.0 108.1 -176.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.594 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 50.3 p30 -86.49 5.74 33.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 114.192 -1.004 . . . . 0.0 112.317 -178.543 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.609 ' N ' ' OD2' ' B' ' 62' ' ' ASP . . . 63.07 -1.38 1.91 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.167 -1.173 . . . . 0.0 110.167 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.548 ' H ' ' C ' ' B' ' 66' ' ' ASP . 36.6 tp10 -114.89 141.07 48.43 Favored 'General case' 0 C--O 1.24 0.568 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 -179.544 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 46.6 t -102.8 132.55 48.72 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.49 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 -179.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.493 ' C ' ' OD1' ' B' ' 70' ' ' ASP . 29.6 p30 -101.64 172.09 7.16 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.24 0.543 . . . . 0.0 110.87 -178.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.435 ' CG ' ' CE2' ' B' ' 15' ' ' PHE . 0.9 OUTLIER -54.17 -45.38 72.08 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.887 -178.507 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -61.68 -41.0 96.97 Favored 'General case' 0 C--O 1.243 0.741 0 C-N-CA 119.842 -0.743 . . . . 0.0 111.849 -179.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.405 ' CD ' ' O ' ' B' ' 61' ' ' LEU . 94.2 mt-10 -64.76 -41.8 95.6 Favored 'General case' 0 C--O 1.242 0.66 0 CA-C-O 122.052 0.93 . . . . 0.0 109.922 179.432 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -63.6 -40.99 98.35 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.221 178.108 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -60.08 -47.59 91.29 Favored 'Isoleucine or valine' 0 C--O 1.248 1.023 0 CA-C-N 113.901 -1.499 . . . . 0.0 109.811 -179.037 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 14.6 m -67.58 -34.47 68.44 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 C-N-CA 117.752 -1.579 . . . . 0.0 109.186 178.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 43.3 tp -55.88 -51.58 67.08 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 118.68 -1.208 . . . . 0.0 111.905 178.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 35.2 m -69.15 -36.21 72.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 118.51 -1.276 . . . . 0.0 111.705 -178.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.87 -47.72 68.11 Favored 'General case' 0 C--O 1.25 1.098 0 C-N-CA 119.032 -1.067 . . . . 0.0 111.828 -179.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.21 -39.88 95.9 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.214 179.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 5.9 mp -65.15 -35.05 79.89 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 119.23 -0.988 . . . . 0.0 109.767 176.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.413 ' HG1' ' HE1' ' A' ' 8' ' ' MET . 40.2 m -62.85 -50.34 71.33 Favored 'General case' 0 C--O 1.248 0.999 0 C-N-CA 119.566 -0.854 . . . . 0.0 111.38 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 14.1 p -63.3 -38.82 83.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 C-N-CA 119.097 -1.041 . . . . 0.0 110.643 178.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . 0.428 ' O ' ' CD2' ' B' ' 88' ' ' PHE . . . -64.88 -34.28 78.01 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 120.431 -0.508 . . . . 0.0 109.816 178.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 40.6 t -63.42 -54.5 35.7 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.354 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -55.79 -40.44 72.67 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 118.501 -1.28 . . . . 0.0 108.678 178.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . 0.661 ' O ' ' HB2' ' B' ' 91' ' ' GLU . 86.5 m-20 -59.64 -42.22 92.28 Favored 'General case' 0 C--O 1.203 -1.382 0 C-N-CA 120.201 -0.599 . . . . 0.0 110.575 178.743 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.529 ' O ' ' O ' ' B' ' 91' ' ' GLU . 75.5 m-85 -66.04 -36.14 82.45 Favored 'General case' 0 C--N 1.31 -1.109 0 C-N-CA 117.021 -1.872 . . . . 0.0 110.583 178.714 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -64.91 -61.87 1.91 Allowed 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 119.608 -0.837 . . . . 0.0 112.094 -178.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 90' ' ' TRP . . . . . 0.516 ' CE3' ' OH ' ' A' ' 26' ' ' TYR . 19.7 t-105 -68.82 -43.0 76.45 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 121.606 0.717 . . . . 0.0 111.62 179.058 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . 0.661 ' HB2' ' O ' ' B' ' 87' ' ' ASN . 67.6 mm-40 . . . . . 0 C--N 1.321 -0.658 0 CA-C-N 114.604 -1.18 . . . . 0.0 111.401 -179.048 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 . . . . . 0 C--O 1.236 0.392 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.6 tt -60.71 -41.19 94.75 Favored 'General case' 0 C--O 1.239 0.54 0 C-N-CA 118.983 -1.087 . . . . 0.0 108.125 -178.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -65.29 -37.58 87.62 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.208 178.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.7 m -59.14 -40.83 86.73 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 179.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.03 -46.17 82.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.206 -0.907 . . . . 0.0 110.55 179.202 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 99.3 mtp -59.49 -41.52 90.03 Favored 'General case' 0 C--O 1.249 1.062 0 CA-C-O 121.809 0.814 . . . . 0.0 109.728 179.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.35 -35.3 80.55 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.116 177.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 47.7 m -64.24 -43.06 96.07 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 119.773 -0.771 . . . . 0.0 110.022 179.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 37.8 mt -61.67 -42.8 99.41 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 119.162 -1.015 . . . . 0.0 108.557 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.1 mt -61.28 -45.59 98.31 Favored 'Isoleucine or valine' 0 C--O 1.232 0.133 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.249 178.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -62.42 -41.6 98.81 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 -178.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.7 m -74.1 -40.88 51.93 Favored 'Isoleucine or valine' 0 C--O 1.257 1.459 0 C-N-CA 119.303 -0.959 . . . . 0.0 111.3 -179.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.429 ' CE2' ' CG ' ' A' ' 71' ' ' PHE . 82.3 t80 -59.93 -47.32 86.26 Favored 'General case' 0 CA--C 1.508 -0.67 0 C-N-CA 119.809 -0.756 . . . . 0.0 109.437 177.593 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -66.02 -33.76 76.53 Favored 'General case' 0 CA--C 1.504 -0.793 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.547 178.065 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.526 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . -58.86 -52.47 65.59 Favored 'General case' 0 N--CA 1.437 -1.103 0 C-N-CA 118.766 -1.174 . . . . 0.0 110.172 -178.462 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.459 ' ND1' ' HG ' ' A' ' 36' ' ' LEU . 43.8 m80 -78.74 -47.85 16.03 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 118.8 -1.16 . . . . 0.0 113.432 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.1 t -58.58 -43.5 89.48 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 119.906 -0.718 . . . . 0.0 110.915 -179.135 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -75.91 -43.98 20.73 Favored Glycine 0 CA--C 1.527 0.841 0 C-N-CA 120.975 -0.631 . . . . 0.0 111.641 179.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.526 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 6.9 ttpm? -59.04 -39.82 83.18 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 -179.198 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.492 ' OE2' ' OE1' ' A' ' 35' ' ' GLU . 97.1 mt-10 -121.73 147.37 46.0 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 -178.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 52.95 -142.07 27.88 Favored Glycine 0 C--N 1.334 0.436 0 CA-C-N 114.754 -1.112 . . . . 0.0 112.586 177.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -70.67 146.97 49.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 114.934 -0.633 . . . . 0.0 109.803 179.434 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -85.68 149.77 25.08 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 -179.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.431 ' CE2' ' CZ3' ' B' ' 90' ' ' TRP . 88.7 m-85 60.36 15.79 5.74 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 112.184 0.438 . . . . 0.0 112.184 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.3 tptt -135.79 137.63 41.8 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 106.443 -1.688 . . . . 0.0 106.443 176.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.457 ' C ' ' OE2' ' A' ' 68' ' ' GLU . 13.7 tp -114.46 129.65 56.67 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 120.239 -0.584 . . . . 0.0 111.474 -175.551 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.551 ' HG ' ' N ' ' A' ' 30' ' ' LYS . 41.0 t -105.53 159.13 16.18 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 122.484 0.313 . . . . 0.0 110.79 179.589 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.551 ' N ' ' HG ' ' A' ' 29' ' ' SER . 23.4 ttpt -52.94 -46.98 68.37 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-O 121.123 0.487 . . . . 0.0 111.786 -178.156 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.603 ' CG ' ' N ' ' A' ' 32' ' ' GLU . 54.0 pttt -59.88 -48.05 83.28 Favored 'General case' 0 N--CA 1.44 -0.926 0 C-N-CA 119.982 -0.687 . . . . 0.0 109.736 -178.508 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.603 ' N ' ' CG ' ' A' ' 31' ' ' LYS . 94.9 mt-10 -63.44 -48.3 78.31 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.231 -0.895 . . . . 0.0 112.318 -178.321 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 pp -62.75 -33.93 76.17 Favored 'General case' 0 CA--C 1.498 -1.028 0 C-N-CA 118.466 -1.294 . . . . 0.0 110.094 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.712 ' NZ ' HE22 ' A' ' 38' ' ' GLN . 0.9 OUTLIER -54.53 -36.75 64.59 Favored 'General case' 0 N--CA 1.434 -1.231 0 C-N-CA 117.785 -1.566 . . . . 0.0 107.497 178.13 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.492 ' OE1' ' OE2' ' A' ' 22' ' ' GLU . 97.2 mt-10 -75.48 -41.21 56.01 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 178.659 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.459 ' HG ' ' ND1' ' A' ' 18' ' ' HIS . 2.7 tt -65.42 -46.01 81.66 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 120.073 -0.651 . . . . 0.0 111.472 -177.117 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.577 ' O ' ' N ' ' A' ' 41' ' ' LEU . 1.1 mm? -65.05 -43.37 92.52 Favored 'General case' 0 CA--C 1.52 -0.196 0 C-N-CA 119.08 -1.048 . . . . 0.0 111.206 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.712 HE22 ' NZ ' ' A' ' 34' ' ' LYS . 95.7 mt-30 -64.25 -39.49 94.06 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.492 -0.483 . . . . 0.0 111.934 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.46 ' CG2' ' O ' ' A' ' 35' ' ' GLU . 64.6 p -71.1 -38.21 72.37 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.112 -0.635 . . . . 0.0 111.259 -179.725 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -92.76 -52.36 4.66 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.577 ' N ' ' O ' ' A' ' 37' ' ' LEU . 29.1 mt -104.09 141.46 36.18 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 121.155 0.503 . . . . 0.0 111.242 -179.352 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.2 m -113.53 -67.63 0.98 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.493 178.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.87 -37.79 91.36 Favored Glycine 0 CA--C 1.532 1.097 0 CA-C-N 115.562 -0.745 . . . . 0.0 113.89 -178.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -60.18 -52.75 63.98 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 118.0 0.9 . . . . 0.0 112.171 -178.077 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -75.78 -41.12 53.91 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 120.343 -0.543 . . . . 0.0 111.344 178.251 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 57.0 t0 -60.87 -32.98 72.39 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.554 -0.748 . . . . 0.0 112.346 -179.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.1 -37.78 75.18 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -177.202 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -63.29 -33.87 76.44 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 119.742 -0.783 . . . . 0.0 109.318 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt 72.19 -40.21 0.47 Allowed 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.004 -0.998 . . . . 0.0 112.467 179.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -71.14 142.68 50.72 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.459 -0.497 . . . . 0.0 111.837 -179.155 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.2 m -71.48 -30.08 37.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 178.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -61.39 -26.48 67.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.582 -1.19 . . . . 0.0 109.779 178.28 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.27 -38.0 57.01 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.066 -0.97 . . . . 0.0 111.707 -177.141 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.514 ' CG1' ' N ' ' A' ' 55' ' ' ASP . 7.5 p -59.88 -43.94 93.19 Favored 'Isoleucine or valine' 0 C--O 1.238 0.467 0 C-N-CA 119.152 -1.019 . . . . 0.0 109.923 179.156 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.514 ' N ' ' CG1' ' A' ' 54' ' ' VAL . 88.8 m-20 -62.54 -43.4 98.91 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.025 179.195 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -60.99 -39.43 89.63 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.476 179.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 76.1 t -65.81 -45.15 92.33 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.381 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.787 -179.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.499 ' CE ' ' O ' ' A' ' 67' ' ' GLY . 0.3 OUTLIER -70.92 -34.73 71.81 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 -178.721 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.403 ' N ' ' HG3' ' A' ' 58' ' ' MET . 13.9 mtmt -60.14 -40.89 91.41 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 113.239 0.829 . . . . 0.0 113.239 -178.312 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -71.76 -36.71 70.49 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 119.686 -0.806 . . . . 0.0 110.683 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.402 ' O ' ' CD ' ' A' ' 73' ' ' GLU . 93.2 mt -67.7 -34.43 76.86 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-N 115.87 -0.604 . . . . 0.0 112.288 179.58 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.613 ' OD2' ' N ' ' A' ' 67' ' ' GLY . 50.7 t0 -75.53 93.02 2.95 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 118.69 -1.204 . . . . 0.0 111.265 -178.064 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 79.5 tt0 -63.71 -45.82 88.26 Favored 'General case' 0 CA--C 1.507 -0.676 0 CA-C-O 122.612 1.196 . . . . 0.0 111.23 177.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 30.9 m120 -59.2 -33.29 70.79 Favored 'General case' 0 C--N 1.299 -1.623 0 CA-C-N 112.476 -2.147 . . . . 0.0 112.452 -178.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.37 19.34 66.78 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 108.056 -2.018 . . . . 0.0 108.056 -176.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.589 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 48.5 p30 -86.66 5.6 35.19 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 114.203 -0.999 . . . . 0.0 112.405 -178.449 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.613 ' N ' ' OD2' ' A' ' 62' ' ' ASP . . . 64.15 -2.36 2.23 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.317 -1.113 . . . . 0.0 110.317 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.558 ' H ' ' C ' ' A' ' 66' ' ' ASP . 37.7 tp10 -114.69 140.5 48.8 Favored 'General case' 0 C--O 1.239 0.519 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 -179.676 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 48.1 t -102.26 132.67 47.8 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.475 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 -179.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.494 ' C ' ' OD1' ' A' ' 70' ' ' ASP . 28.7 p30 -101.55 172.12 7.16 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.896 -178.491 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.429 ' CG ' ' CE2' ' A' ' 15' ' ' PHE . 0.9 OUTLIER -54.36 -45.25 72.71 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.36 -0.837 . . . . 0.0 110.944 -178.504 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -61.58 -41.14 96.98 Favored 'General case' 0 C--O 1.245 0.864 0 O-C-N 121.505 -0.747 . . . . 0.0 111.846 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.402 ' CD ' ' O ' ' A' ' 61' ' ' LEU . 94.6 mt-10 -64.7 -41.99 95.61 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 122.174 0.987 . . . . 0.0 109.909 179.452 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.401 ' CZ ' HD13 ' A' ' 36' ' ' LEU . 68.2 t80 -63.55 -40.82 98.0 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-O 122.391 1.091 . . . . 0.0 110.211 178.188 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -60.2 -47.5 91.88 Favored 'Isoleucine or valine' 0 C--O 1.247 0.96 0 CA-C-N 113.848 -1.524 . . . . 0.0 109.882 -179.083 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 15.6 m -67.46 -34.42 68.48 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.546 0 C-N-CA 117.669 -1.612 . . . . 0.0 109.101 178.516 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 48.0 tp -55.76 -51.76 66.29 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 118.762 -1.175 . . . . 0.0 111.998 178.135 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.448 ' O ' ' OG1' ' A' ' 82' ' ' THR . 34.7 m -69.47 -35.53 67.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 118.607 -1.237 . . . . 0.0 111.815 -178.787 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.38 -48.12 65.57 Favored 'General case' 0 C--O 1.25 1.079 0 C-N-CA 118.933 -1.107 . . . . 0.0 111.759 -179.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.05 -39.86 95.99 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.0 179.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.9 mp -65.52 -34.53 78.48 Favored 'General case' 0 C--O 1.219 -0.514 0 C-N-CA 119.22 -0.992 . . . . 0.0 109.994 176.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.448 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 36.6 m -62.93 -50.43 70.86 Favored 'General case' 0 C--O 1.248 1.008 0 C-N-CA 119.576 -0.849 . . . . 0.0 111.248 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.4 p -63.89 -38.37 82.18 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 119.163 -1.015 . . . . 0.0 110.543 178.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.53 -30.33 71.06 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.972 178.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 12.6 t -69.12 -54.3 15.68 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.418 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -55.75 -40.93 73.24 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 118.439 -1.305 . . . . 0.0 108.425 178.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -59.97 -37.5 79.79 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.886 177.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.526 ' O ' ' O ' ' A' ' 91' ' ' GLU . 67.2 t80 -63.33 -46.85 84.75 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.059 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -65.65 -52.48 51.42 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.314 -0.554 . . . . 0.0 111.988 -179.325 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.496 ' CD1' ' C ' ' A' ' 90' ' ' TRP . 21.2 t-105 -63.35 -39.24 93.99 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 121.297 0.57 . . . . 0.0 112.296 179.773 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.526 ' O ' ' O ' ' A' ' 88' ' ' PHE . 2.8 tm-20 . . . . . 0 C--N 1.319 -0.727 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.062 -177.236 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 . . . . . 0 C--O 1.236 0.383 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 5.6 tt -60.47 -41.31 93.9 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 118.99 -1.084 . . . . 0.0 108.185 -178.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -65.24 -37.67 87.97 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.186 178.209 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 44.3 m -59.08 -40.64 85.88 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 179.204 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.24 -46.1 81.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.557 179.2 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 99.2 mtp -59.6 -41.54 90.54 Favored 'General case' 0 C--O 1.25 1.09 0 CA-C-O 121.692 0.758 . . . . 0.0 109.761 179.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.18 -36.15 83.31 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.32 -0.855 . . . . 0.0 109.987 177.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 45.9 m -63.42 -43.21 98.13 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 119.733 -0.787 . . . . 0.0 110.212 179.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 44.3 mt -61.67 -42.71 99.29 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 119.181 -1.007 . . . . 0.0 108.635 179.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.428 HG21 HD11 ' B' ' 12' ' ' ILE . 97.1 mt -61.29 -45.6 98.29 Favored 'Isoleucine or valine' 0 C--O 1.232 0.147 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.26 178.531 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -62.31 -41.65 98.71 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 -178.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 13.7 m -74.07 -40.91 52.13 Favored 'Isoleucine or valine' 0 C--O 1.256 1.401 0 C-N-CA 119.338 -0.945 . . . . 0.0 111.337 -179.305 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.425 ' CE2' ' CG ' ' B' ' 71' ' ' PHE . 82.6 t80 -59.88 -47.33 86.18 Favored 'General case' 0 CA--C 1.507 -0.678 0 C-N-CA 119.822 -0.751 . . . . 0.0 109.479 177.535 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -65.98 -33.83 76.71 Favored 'General case' 0 CA--C 1.504 -0.813 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.594 178.028 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.534 ' O ' ' CB ' ' B' ' 21' ' ' LYS . . . -58.86 -52.46 65.62 Favored 'General case' 0 N--CA 1.437 -1.104 0 C-N-CA 118.801 -1.159 . . . . 0.0 110.159 -178.489 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.463 ' ND1' ' HG ' ' B' ' 36' ' ' LEU . 43.7 m80 -78.64 -48.0 15.93 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 118.794 -1.162 . . . . 0.0 113.462 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 47.1 t -58.5 -43.62 89.13 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 119.944 -0.702 . . . . 0.0 110.888 -179.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -75.89 -43.96 20.9 Favored Glycine 0 CA--C 1.526 0.764 0 C-N-CA 120.953 -0.641 . . . . 0.0 111.648 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . 0.534 ' CB ' ' O ' ' B' ' 17' ' ' ALA . 6.9 ttpm? -59.0 -39.83 83.01 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 -179.252 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.478 ' OE2' ' OE1' ' B' ' 35' ' ' GLU . 97.2 mt-10 -121.8 147.48 45.9 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 113.758 1.021 . . . . 0.0 113.758 -178.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 52.87 -142.09 27.46 Favored Glycine 0 C--N 1.335 0.486 0 CA-C-N 114.714 -1.13 . . . . 0.0 112.538 177.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -70.56 146.84 49.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 114.959 -0.621 . . . . 0.0 109.891 179.375 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 9.3 mtmp? -85.58 149.68 25.18 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 -179.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.427 ' CE2' ' CZ3' ' A' ' 90' ' ' TRP . 88.7 m-85 60.55 15.65 5.83 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 112.049 0.389 . . . . 0.0 112.049 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 33.0 tptt -135.74 137.78 42.03 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 106.512 -1.662 . . . . 0.0 106.512 176.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.473 ' C ' ' OE2' ' B' ' 68' ' ' GLU . 13.7 tp -114.57 129.64 56.69 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 120.224 -0.59 . . . . 0.0 111.455 -175.466 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.548 ' HG ' ' N ' ' B' ' 30' ' ' LYS . 41.7 t -105.5 159.06 16.23 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.765 179.614 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.548 ' N ' ' HG ' ' B' ' 29' ' ' SER . 23.4 ttpt -52.92 -46.87 68.26 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-O 121.23 0.538 . . . . 0.0 111.831 -178.178 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.594 ' CG ' ' N ' ' B' ' 32' ' ' GLU . 54.3 pttt -60.03 -48.13 82.99 Favored 'General case' 0 N--CA 1.44 -0.944 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.56 -178.413 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.594 ' N ' ' CG ' ' B' ' 31' ' ' LYS . 94.9 mt-10 -63.3 -48.35 78.48 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 115.278 -0.874 . . . . 0.0 112.323 -178.348 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 pp -62.83 -33.85 76.09 Favored 'General case' 0 CA--C 1.498 -1.048 0 C-N-CA 118.54 -1.264 . . . . 0.0 110.122 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.712 ' NZ ' HE22 ' B' ' 38' ' ' GLN . 0.9 OUTLIER -54.57 -36.64 64.59 Favored 'General case' 0 N--CA 1.435 -1.182 0 C-N-CA 117.714 -1.595 . . . . 0.0 107.533 178.028 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . 0.478 ' OE1' ' OE2' ' B' ' 22' ' ' GLU . 97.2 mt-10 -75.55 -41.19 55.53 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 178.654 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.463 ' HG ' ' ND1' ' B' ' 18' ' ' HIS . 2.8 tt -65.45 -45.91 81.91 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 120.041 -0.664 . . . . 0.0 111.535 -177.16 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.576 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 1.1 mm? -65.06 -43.43 92.29 Favored 'General case' 0 CA--C 1.521 -0.168 0 C-N-CA 119.123 -1.031 . . . . 0.0 111.188 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.712 HE22 ' NZ ' ' B' ' 34' ' ' LYS . 95.7 mt-30 -64.19 -39.62 94.38 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.521 -0.472 . . . . 0.0 111.92 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.456 ' CG2' ' O ' ' B' ' 35' ' ' GLU . 65.4 p -70.96 -38.27 72.81 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.17 -0.612 . . . . 0.0 111.304 -179.723 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -92.78 -52.3 4.68 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 112.327 0.491 . . . . 0.0 112.327 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.576 ' N ' ' O ' ' B' ' 37' ' ' LEU . 28.8 mt -104.11 141.44 36.23 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 121.176 0.512 . . . . 0.0 111.269 -179.371 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.2 m -113.55 -67.55 0.99 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.53 178.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.96 -37.69 91.68 Favored Glycine 0 CA--C 1.531 1.09 0 CA-C-N 115.567 -0.742 . . . . 0.0 113.825 -178.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -60.23 -52.78 63.85 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 118.092 0.946 . . . . 0.0 112.078 -178.025 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -75.76 -41.28 53.57 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 120.346 -0.541 . . . . 0.0 111.265 178.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -60.65 -33.13 72.34 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.562 -0.744 . . . . 0.0 112.367 -179.217 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.04 -37.82 75.08 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -177.174 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -63.27 -33.86 76.42 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 119.7 -0.8 . . . . 0.0 109.333 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt 72.17 -40.21 0.47 Allowed 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.048 -0.978 . . . . 0.0 112.473 179.342 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -71.14 142.66 50.73 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.43 -0.508 . . . . 0.0 111.795 -179.178 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 5.2 m -71.42 -30.03 37.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 178.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -61.44 -26.44 67.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.564 -1.198 . . . . 0.0 109.833 178.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.33 -37.92 57.23 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.987 -1.006 . . . . 0.0 111.689 -177.106 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.509 ' CG1' ' N ' ' B' ' 55' ' ' ASP . 7.7 p -59.99 -43.92 93.54 Favored 'Isoleucine or valine' 0 C--O 1.238 0.47 0 C-N-CA 119.094 -1.043 . . . . 0.0 109.904 179.186 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.509 ' N ' ' CG1' ' B' ' 54' ' ' VAL . 88.5 m-20 -62.45 -43.42 98.85 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.107 179.116 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -60.92 -39.54 89.79 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.409 179.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 76.2 t -65.74 -45.19 92.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.804 -179.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' MET . . . . . 0.503 ' CE ' ' O ' ' B' ' 67' ' ' GLY . 0.3 OUTLIER -70.84 -34.8 72.05 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 -178.763 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 13.9 mtmt -60.11 -40.9 91.28 Favored 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 113.261 0.837 . . . . 0.0 113.261 -178.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -71.73 -36.71 70.57 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 119.59 -0.844 . . . . 0.0 110.696 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 93.2 mt -67.72 -34.45 76.89 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.212 179.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.604 ' OD2' ' N ' ' B' ' 67' ' ' GLY . 50.7 t0 -75.46 93.11 2.92 Favored 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 118.714 -1.194 . . . . 0.0 111.244 -178.088 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 79.5 tt0 -63.91 -45.73 87.98 Favored 'General case' 0 CA--C 1.508 -0.642 0 CA-C-O 122.604 1.193 . . . . 0.0 111.165 177.063 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -59.12 -33.36 70.78 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-N 112.549 -2.114 . . . . 0.0 112.536 -178.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.42 19.29 66.77 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 108.025 -2.03 . . . . 0.0 108.025 -177.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.589 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 48.7 p30 -86.63 5.57 35.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 114.258 -0.971 . . . . 0.0 112.471 -178.472 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.604 ' N ' ' OD2' ' B' ' 62' ' ' ASP . . . 64.23 -2.41 2.26 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.271 -1.132 . . . . 0.0 110.271 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.545 ' H ' ' C ' ' B' ' 66' ' ' ASP . 37.1 tp10 -114.73 140.59 48.75 Favored 'General case' 0 C--O 1.24 0.604 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 -179.637 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 48.3 t -102.34 132.72 47.8 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.405 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 -179.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.495 ' C ' ' OD1' ' B' ' 70' ' ' ASP . 29.4 p30 -101.43 172.19 7.13 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 120.327 -0.549 . . . . 0.0 110.98 -178.55 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.425 ' CG ' ' CE2' ' B' ' 15' ' ' PHE . 0.9 OUTLIER -54.37 -45.36 72.79 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.795 -178.502 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -61.53 -41.31 97.13 Favored 'General case' 0 C--O 1.244 0.804 0 C-N-CA 119.952 -0.699 . . . . 0.0 111.78 -179.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -64.62 -41.99 95.81 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-O 122.202 1.001 . . . . 0.0 109.97 179.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -63.46 -40.89 98.32 Favored 'General case' 0 C--O 1.241 0.644 0 CA-C-N 114.804 -1.089 . . . . 0.0 110.197 178.128 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -60.24 -47.49 91.98 Favored 'Isoleucine or valine' 0 C--O 1.248 1.005 0 CA-C-N 113.931 -1.486 . . . . 0.0 109.831 -178.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 15.5 m -67.34 -34.51 69.37 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.531 0 C-N-CA 117.735 -1.586 . . . . 0.0 109.12 178.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 47.9 tp -55.66 -51.82 65.94 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 118.785 -1.166 . . . . 0.0 112.049 178.124 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.446 ' O ' ' OG1' ' B' ' 82' ' ' THR . 34.7 m -69.49 -35.49 66.89 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.263 0 C-N-CA 118.552 -1.259 . . . . 0.0 111.796 -178.782 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.44 -48.13 65.37 Favored 'General case' 0 C--O 1.249 1.061 0 C-N-CA 118.923 -1.111 . . . . 0.0 111.714 -179.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.9 -39.93 96.0 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.036 179.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 5.8 mp -65.58 -34.56 78.52 Favored 'General case' 0 C--O 1.22 -0.45 0 C-N-CA 119.244 -0.982 . . . . 0.0 109.903 176.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.446 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 36.8 m -62.89 -50.45 70.83 Favored 'General case' 0 C--O 1.247 0.948 0 C-N-CA 119.578 -0.849 . . . . 0.0 111.163 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 13.5 p -63.88 -38.34 82.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 C-N-CA 119.121 -1.031 . . . . 0.0 110.522 178.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.49 -30.37 71.14 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 121.135 0.493 . . . . 0.0 110.06 178.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 12.4 t -69.07 -54.25 16.08 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.429 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -55.87 -40.98 73.7 Favored 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 118.396 -1.322 . . . . 0.0 108.378 178.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -59.88 -37.42 79.33 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.962 177.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.529 ' O ' ' O ' ' B' ' 91' ' ' GLU . 67.3 t80 -63.33 -46.97 84.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -65.7 -52.4 51.68 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 120.266 -0.574 . . . . 0.0 111.949 -179.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 90' ' ' TRP . . . . . 0.495 ' CD1' ' C ' ' B' ' 90' ' ' TRP . 21.1 t-105 -63.35 -39.3 94.16 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.277 0.56 . . . . 0.0 112.301 179.766 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . 0.529 ' O ' ' O ' ' B' ' 88' ' ' PHE . 2.9 tm-20 . . . . . 0 C--N 1.319 -0.754 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.124 -177.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 . . . . . 0 C--O 1.24 0.579 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.7 tt -61.74 -41.65 97.93 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 118.982 -1.087 . . . . 0.0 108.408 -178.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -65.14 -37.69 88.23 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.523 178.061 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.7 m -59.59 -42.21 92.05 Favored 'General case' 0 C--O 1.239 0.511 0 C-N-CA 119.837 -0.745 . . . . 0.0 109.356 179.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.85 -45.09 91.07 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.114 179.123 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 99.4 mtp -60.18 -40.83 91.37 Favored 'General case' 0 C--O 1.245 0.868 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.362 179.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.56 -36.58 84.69 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 120.174 -0.611 . . . . 0.0 109.513 177.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 58.6 m -63.86 -42.03 97.64 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 119.529 -0.869 . . . . 0.0 110.036 178.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 37.2 mt -59.12 -43.21 91.95 Favored 'General case' 0 C--O 1.241 0.634 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 98.4 mt -62.09 -45.16 99.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 114.726 -1.124 . . . . 0.0 111.893 178.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -61.16 -41.24 96.42 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -178.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.1 m -72.91 -37.76 54.98 Favored 'Isoleucine or valine' 0 C--O 1.255 1.348 0 C-N-CA 118.915 -1.114 . . . . 0.0 110.135 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.539 ' HA ' ' NE2' ' A' ' 18' ' ' HIS . 86.4 t80 -59.77 -42.56 93.6 Favored 'General case' 0 C--O 1.241 0.623 0 C-N-CA 119.206 -0.997 . . . . 0.0 109.926 177.357 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -67.85 -35.26 78.24 Favored 'General case' 0 N--CA 1.437 -1.108 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.82 177.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.543 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . -59.29 -50.59 73.39 Favored 'General case' 0 N--CA 1.437 -1.099 0 C-N-CA 118.929 -1.108 . . . . 0.0 111.235 -178.325 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.629 ' CD2' ' H ' ' A' ' 19' ' ' SER . 0.5 OUTLIER -81.31 -48.99 11.26 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 117.218 -1.793 . . . . 0.0 113.767 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.629 ' H ' ' CD2' ' A' ' 18' ' ' HIS . 23.2 t -60.92 -40.23 92.39 Favored 'General case' 0 C--N 1.351 0.636 0 C-N-CA 118.458 -1.297 . . . . 0.0 109.829 -179.479 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -73.54 -44.93 31.16 Favored Glycine 0 C--N 1.343 0.956 0 CA-C-N 115.777 -0.647 . . . . 0.0 112.449 179.061 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.543 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 5.8 ttpm? -58.8 -43.34 90.53 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.124 -0.63 . . . . 0.0 111.291 -179.579 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.505 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 97.0 mt-10 -132.78 145.4 50.97 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 120.563 -0.455 . . . . 0.0 111.303 178.339 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.66 -162.98 54.38 Favored Glycine 0 CA--C 1.521 0.464 0 N-CA-C 111.384 -0.686 . . . . 0.0 111.384 178.006 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.406 ' O ' ' OG ' ' A' ' 19' ' ' SER . 88.5 m-20 -68.88 143.66 54.45 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 178.215 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.439 ' O ' ' OG ' ' A' ' 19' ' ' SER . 25.5 mtmm -60.05 -32.14 70.64 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 -177.645 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.601 ' OH ' ' CE3' ' B' ' 90' ' ' TRP . 98.3 m-85 -107.29 19.69 19.99 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 113.342 0.868 . . . . 0.0 113.342 -178.065 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.439 ' HZ1' ' HG2' ' A' ' 68' ' ' GLU . 16.7 tptm -139.65 140.36 36.9 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 119.103 -1.039 . . . . 0.0 109.23 179.509 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.501 HD12 ' ND1' ' A' ' 18' ' ' HIS . 17.8 tp -117.65 130.7 56.53 Favored 'General case' 0 CA--C 1.528 0.112 0 C-N-CA 120.555 -0.458 . . . . 0.0 111.984 -177.074 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.463 ' CA ' ' OE2' ' A' ' 68' ' ' GLU . 80.9 p -105.07 166.08 10.64 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 179.314 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.4 ttpm? -52.98 -47.0 68.51 Favored 'General case' 0 C--O 1.241 0.634 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 -177.077 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.56 ' CG ' ' N ' ' A' ' 32' ' ' GLU . 51.2 pttt -59.5 -46.51 88.62 Favored 'General case' 0 N--CA 1.439 -1.0 0 C-N-CA 119.729 -0.788 . . . . 0.0 109.885 -178.501 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.56 ' N ' ' CG ' ' A' ' 31' ' ' LYS . 93.0 mt-10 -61.3 -51.29 69.5 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 119.845 -0.742 . . . . 0.0 111.798 -177.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.07 -37.27 76.68 Favored 'General case' 0 CA--C 1.507 -0.679 0 C-N-CA 116.954 -1.898 . . . . 0.0 109.363 178.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.0 tptm -54.13 -36.36 63.19 Favored 'General case' 0 N--CA 1.439 -1.004 0 C-N-CA 118.152 -1.419 . . . . 0.0 108.197 -179.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.455 ' O ' ' CG2' ' A' ' 39' ' ' THR . 76.9 mm-40 -73.8 -43.37 59.07 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 120.114 -0.634 . . . . 0.0 112.523 178.784 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.512 HD11 ' CE1' ' A' ' 18' ' ' HIS . 5.9 tt -67.03 -46.68 73.7 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 118.48 -1.288 . . . . 0.0 111.977 -177.349 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.55 ' O ' ' O ' ' A' ' 41' ' ' LEU . 2.9 mm? -59.35 -43.38 92.79 Favored 'General case' 0 CA--C 1.514 -0.418 0 C-N-CA 118.463 -1.295 . . . . 0.0 110.368 -178.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -64.13 -38.98 93.01 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.244 -0.582 . . . . 0.0 111.604 178.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.455 ' CG2' ' O ' ' A' ' 35' ' ' GLU . 61.9 p -71.54 -34.43 70.02 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 -179.091 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -101.01 -57.66 2.05 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 112.654 0.612 . . . . 0.0 112.654 -179.121 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.55 ' O ' ' O ' ' A' ' 37' ' ' LEU . 30.5 mt -96.68 143.29 27.77 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.183 0.516 . . . . 0.0 111.09 -178.325 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.53 ' OG ' ' N ' ' A' ' 43' ' ' GLY . 90.6 p -111.57 -76.72 0.59 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.773 179.371 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.53 ' N ' ' OG ' ' A' ' 42' ' ' SER . . . -57.15 -36.03 72.89 Favored Glycine 0 CA--C 1.532 1.094 0 CA-C-N 115.663 -0.699 . . . . 0.0 114.021 -178.613 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -60.49 -57.78 11.27 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 118.196 0.998 . . . . 0.0 112.543 -177.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.88 -40.59 65.47 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-O 121.703 0.763 . . . . 0.0 110.037 -179.794 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.433 ' CB ' ' O ' ' A' ' 42' ' ' SER . 59.5 t0 -62.5 -29.94 70.91 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 114.549 -1.205 . . . . 0.0 113.069 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.69 -34.13 61.87 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -176.116 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 91.6 mm-40 -62.31 -36.33 81.82 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 119.532 -0.867 . . . . 0.0 109.199 179.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.536 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 98.2 mttt 61.37 36.3 17.53 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.172 -0.922 . . . . 0.0 112.92 178.776 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.536 ' OD1' ' O ' ' A' ' 49' ' ' LYS . 92.3 m-20 -144.66 149.02 34.96 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 120.974 -0.291 . . . . 0.0 110.561 178.167 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.8 m -72.84 -32.65 41.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 N-CA-C 108.955 -0.758 . . . . 0.0 108.955 178.151 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -62.01 -30.04 70.68 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 114.832 -1.076 . . . . 0.0 110.529 178.39 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.42 -37.24 62.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.194 -0.912 . . . . 0.0 112.298 -176.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.465 ' CG1' ' N ' ' A' ' 55' ' ' ASP . 9.0 p -61.24 -43.59 96.77 Favored 'Isoleucine or valine' 0 C--O 1.24 0.598 0 C-N-CA 118.678 -1.209 . . . . 0.0 109.999 179.154 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.465 ' N ' ' CG1' ' A' ' 54' ' ' VAL . 92.5 m-20 -61.92 -43.47 98.78 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.06 179.055 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 55.7 mttm -62.25 -39.25 92.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.378 179.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.6 t -65.32 -44.19 94.87 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.475 0 CA-C-N 115.504 -0.771 . . . . 0.0 112.644 -178.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.428 ' CE ' ' O ' ' A' ' 67' ' ' GLY . 0.0 OUTLIER -66.27 -32.68 74.24 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 119.262 -0.975 . . . . 0.0 113.545 -179.011 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 36.2 mmtt -60.1 -41.35 92.37 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 -178.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -72.36 -35.43 68.51 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 119.417 -0.913 . . . . 0.0 110.572 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 79.3 mt -67.33 -34.84 78.19 Favored 'General case' 0 CA--C 1.509 -0.612 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.456 179.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.538 ' OD2' ' N ' ' A' ' 66' ' ' ASP . 41.2 t0 -71.61 78.15 0.82 Allowed 'General case' 0 N--CA 1.443 -0.789 0 C-N-CA 118.954 -1.098 . . . . 0.0 110.841 -178.235 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -64.09 -38.21 90.25 Favored 'General case' 0 CA--C 1.501 -0.916 0 CA-C-O 123.156 1.455 . . . . 0.0 107.399 176.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.473 ' OD1' ' CG ' ' A' ' 66' ' ' ASP . 17.3 t-20 -58.39 -39.4 79.55 Favored 'General case' 0 N--CA 1.432 -1.336 0 CA-C-N 111.568 -2.56 . . . . 0.0 112.122 178.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.485 ' C ' ' OD2' ' A' ' 62' ' ' ASP . . . 87.33 12.99 66.54 Favored Glycine 0 CA--C 1.533 1.188 0 C-N-CA 121.136 -0.554 . . . . 0.0 112.753 178.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.538 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 55.0 p30 -91.18 5.47 48.92 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 -179.689 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.428 ' O ' ' CE ' ' A' ' 58' ' ' MET . . . 71.22 1.95 45.15 Favored Glycine 0 N--CA 1.466 0.686 0 N-CA-C 110.092 -1.203 . . . . 0.0 110.092 179.628 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.478 ' OE2' ' C ' ' A' ' 28' ' ' LEU . 44.2 tp10 -117.33 144.24 45.11 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 -179.687 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.4 ' HA ' ' OE1' ' A' ' 73' ' ' GLU . 59.7 t -99.65 132.5 45.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 C-N-CA 120.691 -0.404 . . . . 0.0 109.991 -178.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.504 ' C ' ' OD1' ' A' ' 70' ' ' ASP . 16.8 p30 -104.75 171.65 7.21 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 119.938 -0.705 . . . . 0.0 110.075 -179.339 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -53.84 -45.0 70.77 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.368 -178.634 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -61.34 -40.28 93.65 Favored 'General case' 0 C--O 1.243 0.762 0 C-N-CA 120.034 -0.666 . . . . 0.0 111.545 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.4 ' OE1' ' HA ' ' A' ' 69' ' ' VAL . 79.3 mt-10 -64.62 -42.49 95.46 Favored 'General case' 0 C--O 1.243 0.734 0 CA-C-O 122.105 0.955 . . . . 0.0 109.887 179.744 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -63.42 -41.23 98.69 Favored 'General case' 0 C--O 1.245 0.862 0 CA-C-O 122.413 1.101 . . . . 0.0 110.448 177.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -59.51 -47.91 89.17 Favored 'Isoleucine or valine' 0 C--O 1.251 1.162 0 CA-C-N 113.802 -1.545 . . . . 0.0 109.77 -179.11 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 15.3 m -67.48 -34.46 68.63 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.604 0 C-N-CA 117.856 -1.538 . . . . 0.0 109.245 178.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 35.3 tp -55.36 -51.94 65.13 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 118.593 -1.243 . . . . 0.0 111.605 178.06 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.403 ' O ' ' OG1' ' A' ' 82' ' ' THR . 34.9 m -68.55 -36.12 73.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 C-N-CA 118.151 -1.419 . . . . 0.0 111.692 -178.81 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.78 -48.57 65.96 Favored 'General case' 0 C--O 1.251 1.171 0 C-N-CA 118.816 -1.154 . . . . 0.0 112.043 -179.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.405 ' O ' HG12 ' A' ' 83' ' ' VAL . . . -63.14 -39.9 96.03 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.153 179.667 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 9.4 mp -64.66 -34.85 79.25 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 119.139 -1.024 . . . . 0.0 109.832 176.642 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.403 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 52.3 m -63.0 -50.06 72.2 Favored 'General case' 0 C--O 1.246 0.891 0 C-N-CA 119.752 -0.779 . . . . 0.0 111.633 179.463 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.405 HG12 ' O ' ' A' ' 80' ' ' ALA . 14.5 p -63.21 -38.73 82.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 118.894 -1.122 . . . . 0.0 110.321 178.564 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.87 -30.97 71.99 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 121.188 0.518 . . . . 0.0 109.859 178.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 36.0 t -67.8 -54.81 16.2 Favored 'General case' 0 CA--C 1.509 -0.601 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.734 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -56.75 -42.83 79.99 Favored 'General case' 0 C--O 1.24 0.575 0 C-N-CA 118.669 -1.212 . . . . 0.0 109.508 179.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -59.93 -38.18 81.63 Favored 'General case' 0 C--O 1.22 -0.465 0 C-N-CA 119.955 -0.698 . . . . 0.0 109.338 178.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.523 ' O ' ' O ' ' A' ' 91' ' ' GLU . 67.1 t80 -62.29 -45.61 92.5 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.184 -179.64 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -66.41 -54.88 19.23 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.389 -0.525 . . . . 0.0 112.149 -179.048 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.615 ' CE3' ' OH ' ' B' ' 26' ' ' TYR . 25.2 t-105 -64.87 -40.46 95.16 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.191 0.52 . . . . 0.0 112.355 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.523 ' O ' ' O ' ' A' ' 88' ' ' PHE . 1.5 tm-20 . . . . . 0 C--N 1.32 -0.702 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.567 -178.098 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 . . . . . 0 C--O 1.24 0.59 0 N-CA-C 112.862 0.69 . . . . 0.0 112.862 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 1.7 tt -61.79 -41.53 97.85 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 118.96 -1.096 . . . . 0.0 108.461 -178.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -65.17 -37.74 88.34 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.555 178.015 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 46.1 m -59.63 -42.1 91.93 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 119.84 -0.744 . . . . 0.0 109.289 179.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.0 -44.98 90.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.116 179.195 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 99.3 mtp -60.22 -40.7 91.07 Favored 'General case' 0 C--O 1.246 0.895 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.446 179.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.6 -37.3 87.1 Favored 'General case' 0 CA--C 1.51 -0.581 0 C-N-CA 120.026 -0.67 . . . . 0.0 109.417 177.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 56.8 m -62.98 -42.3 99.8 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 119.634 -0.826 . . . . 0.0 110.224 178.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 42.4 mt -59.22 -43.03 92.32 Favored 'General case' 0 C--O 1.241 0.643 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 98.3 mt -62.14 -45.06 99.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 114.758 -1.11 . . . . 0.0 111.892 178.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -61.27 -41.19 96.52 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -178.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 17.3 m -72.92 -37.79 54.94 Favored 'Isoleucine or valine' 0 C--O 1.254 1.331 0 C-N-CA 118.928 -1.109 . . . . 0.0 110.136 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.538 ' HA ' ' NE2' ' B' ' 18' ' ' HIS . 86.5 t80 -59.78 -42.54 93.55 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-O 122.235 1.017 . . . . 0.0 109.906 177.368 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -67.91 -35.18 78.01 Favored 'General case' 0 N--CA 1.437 -1.113 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.806 177.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.545 ' O ' ' CB ' ' B' ' 21' ' ' LYS . . . -59.38 -50.62 73.24 Favored 'General case' 0 N--CA 1.438 -1.07 0 C-N-CA 118.987 -1.085 . . . . 0.0 111.204 -178.342 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.627 ' CD2' ' H ' ' B' ' 19' ' ' SER . 0.5 OUTLIER -81.28 -49.01 11.26 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 117.245 -1.782 . . . . 0.0 113.718 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.627 ' H ' ' CD2' ' B' ' 18' ' ' HIS . 23.3 t -60.95 -40.29 92.74 Favored 'General case' 0 C--N 1.352 0.701 0 C-N-CA 118.439 -1.305 . . . . 0.0 109.805 -179.438 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -73.44 -44.81 32.2 Favored Glycine 0 C--N 1.343 0.942 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.516 179.039 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . 0.545 ' CB ' ' O ' ' B' ' 17' ' ' ALA . 5.8 ttpm? -58.86 -43.36 90.81 Favored 'General case' 0 N--CA 1.463 0.184 0 C-N-CA 120.032 -0.667 . . . . 0.0 111.255 -179.613 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.512 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 97.0 mt-10 -132.72 145.48 51.07 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 120.538 -0.465 . . . . 0.0 111.256 178.406 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.7 -163.01 54.39 Favored Glycine 0 CA--C 1.521 0.468 0 N-CA-C 111.405 -0.678 . . . . 0.0 111.405 177.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . 0.403 ' O ' ' OG ' ' B' ' 19' ' ' SER . 88.2 m-20 -68.88 143.48 54.5 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 178.124 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.439 ' O ' ' OG ' ' B' ' 19' ' ' SER . 25.6 mtmm -60.0 -32.17 70.61 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -177.559 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.615 ' OH ' ' CE3' ' A' ' 90' ' ' TRP . 98.4 m-85 -107.21 19.66 20.05 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 -178.089 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.437 ' HZ1' ' HG2' ' B' ' 68' ' ' GLU . 16.3 tptm -139.65 140.48 36.94 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 119.034 -1.066 . . . . 0.0 109.254 179.444 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.494 HD12 ' ND1' ' B' ' 18' ' ' HIS . 17.8 tp -117.69 130.74 56.53 Favored 'General case' 0 C--N 1.333 -0.123 0 C-N-CA 120.544 -0.463 . . . . 0.0 112.009 -177.126 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.471 ' CA ' ' OE2' ' B' ' 68' ' ' GLU . 82.3 p -105.0 166.02 10.67 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 179.289 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 6.4 ttpm? -52.87 -47.08 68.07 Favored 'General case' 0 C--O 1.24 0.566 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -177.182 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.551 ' CG ' ' N ' ' B' ' 32' ' ' GLU . 51.2 pttt -59.61 -46.51 88.76 Favored 'General case' 0 N--CA 1.44 -0.971 0 C-N-CA 119.651 -0.82 . . . . 0.0 109.767 -178.438 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.551 ' N ' ' CG ' ' B' ' 31' ' ' LYS . 93.0 mt-10 -61.22 -51.32 69.47 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 119.82 -0.752 . . . . 0.0 111.81 -177.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.07 -37.31 76.78 Favored 'General case' 0 CA--C 1.508 -0.637 0 C-N-CA 117.079 -1.848 . . . . 0.0 109.316 179.022 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 12.0 tptm -54.11 -36.33 63.12 Favored 'General case' 0 N--CA 1.439 -1.023 0 C-N-CA 118.164 -1.415 . . . . 0.0 108.219 -179.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . 0.453 ' O ' ' CG2' ' B' ' 39' ' ' THR . 76.8 mm-40 -73.86 -43.48 58.47 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 120.087 -0.645 . . . . 0.0 112.437 178.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.521 HD11 ' CE1' ' B' ' 18' ' ' HIS . 5.8 tt -66.83 -46.74 74.2 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 118.548 -1.261 . . . . 0.0 112.03 -177.392 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.557 ' O ' ' O ' ' B' ' 41' ' ' LEU . 2.9 mm? -59.38 -43.32 92.92 Favored 'General case' 0 CA--C 1.516 -0.357 0 C-N-CA 118.49 -1.284 . . . . 0.0 110.366 -178.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -64.21 -38.97 92.97 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.262 -0.575 . . . . 0.0 111.575 178.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.453 ' CG2' ' O ' ' B' ' 35' ' ' GLU . 61.9 p -71.57 -34.35 69.86 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 -179.098 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -101.01 -57.81 2.02 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 -179.11 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.557 ' O ' ' O ' ' B' ' 37' ' ' LEU . 30.4 mt -96.66 143.33 27.72 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.24 0.543 . . . . 0.0 111.126 -178.305 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.524 ' OG ' ' N ' ' B' ' 43' ' ' GLY . 91.6 p -111.55 -76.77 0.59 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.757 179.43 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . 0.524 ' N ' ' OG ' ' B' ' 42' ' ' SER . . . -57.1 -36.06 72.67 Favored Glycine 0 CA--C 1.532 1.143 0 CA-C-N 115.588 -0.733 . . . . 0.0 113.96 -178.593 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -60.47 -57.72 11.52 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 118.209 1.004 . . . . 0.0 112.592 -177.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.95 -40.58 65.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.732 0.777 . . . . 0.0 109.978 -179.796 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.444 ' CB ' ' O ' ' B' ' 42' ' ' SER . 59.6 t0 -62.59 -29.95 70.97 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 114.575 -1.193 . . . . 0.0 113.058 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.6 -34.18 61.59 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -176.215 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 91.6 mm-40 -62.26 -36.37 81.86 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 119.528 -0.869 . . . . 0.0 109.233 179.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.557 ' O ' ' OD1' ' B' ' 50' ' ' ASP . 98.2 mttt 61.46 36.3 17.24 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.127 -0.942 . . . . 0.0 112.862 178.74 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . 0.557 ' OD1' ' O ' ' B' ' 49' ' ' LYS . 92.2 m-20 -144.67 148.99 34.9 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 120.931 -0.307 . . . . 0.0 110.605 178.179 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 7.1 m -72.82 -32.72 41.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 178.221 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -62.04 -29.96 70.64 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 114.921 -1.036 . . . . 0.0 110.491 178.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.42 -37.27 62.37 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.19 -0.914 . . . . 0.0 112.302 -176.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.463 ' CG1' ' N ' ' B' ' 55' ' ' ASP . 9.2 p -61.24 -43.64 96.86 Favored 'Isoleucine or valine' 0 C--O 1.241 0.65 0 C-N-CA 118.755 -1.178 . . . . 0.0 109.881 179.254 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.463 ' N ' ' CG1' ' B' ' 54' ' ' VAL . 92.2 m-20 -61.87 -43.61 98.5 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.06 179.049 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 55.8 mttm -62.04 -39.31 91.9 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.444 179.15 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 62.1 t -65.3 -44.31 94.9 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.427 0 CA-C-N 115.435 -0.802 . . . . 0.0 112.589 -178.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' MET . . . . . 0.427 ' CE ' ' O ' ' B' ' 67' ' ' GLY . 0.0 OUTLIER -66.14 -32.76 74.39 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 119.291 -0.964 . . . . 0.0 113.546 -179.001 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 36.1 mmtt -60.13 -41.34 92.46 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 113.129 0.789 . . . . 0.0 113.129 -178.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -72.33 -35.42 68.57 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 119.435 -0.906 . . . . 0.0 110.556 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 79.3 mt -67.38 -34.74 77.9 Favored 'General case' 0 CA--C 1.509 -0.612 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.504 179.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.541 ' OD2' ' N ' ' B' ' 66' ' ' ASP . 41.2 t0 -71.73 78.22 0.85 Allowed 'General case' 0 N--CA 1.442 -0.85 0 C-N-CA 118.91 -1.116 . . . . 0.0 110.787 -178.187 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -64.06 -38.19 90.17 Favored 'General case' 0 CA--C 1.5 -0.946 0 CA-C-O 123.13 1.443 . . . . 0.0 107.386 176.202 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.476 ' OD1' ' OD2' ' B' ' 66' ' ' ASP . 17.3 t-20 -58.51 -39.37 79.91 Favored 'General case' 0 C--N 1.305 -1.347 0 CA-C-N 111.575 -2.557 . . . . 0.0 112.141 179.057 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.485 ' C ' ' OD2' ' B' ' 62' ' ' ASP . . . 87.42 12.95 66.4 Favored Glycine 0 CA--C 1.533 1.186 0 C-N-CA 121.176 -0.535 . . . . 0.0 112.711 178.726 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.541 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 54.8 p30 -91.09 5.41 49.06 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -179.614 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.427 ' O ' ' CE ' ' B' ' 58' ' ' MET . . . 71.13 1.97 44.72 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.138 -1.185 . . . . 0.0 110.138 179.735 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.471 ' OE2' ' CA ' ' B' ' 29' ' ' SER . 43.8 tp10 -117.39 144.33 45.07 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 -179.647 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.402 ' HA ' ' OE1' ' B' ' 73' ' ' GLU . 59.9 t -99.77 132.63 44.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 C-N-CA 120.645 -0.422 . . . . 0.0 109.983 -178.732 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.511 ' C ' ' OD1' ' B' ' 70' ' ' ASP . 17.4 p30 -104.71 171.56 7.26 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 120.026 -0.67 . . . . 0.0 110.094 -179.33 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -53.87 -45.0 70.89 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.318 -178.666 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -61.35 -40.21 93.46 Favored 'General case' 0 C--O 1.244 0.783 0 C-N-CA 120.009 -0.677 . . . . 0.0 111.637 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.402 ' OE1' ' HA ' ' B' ' 69' ' ' VAL . 79.3 mt-10 -64.59 -42.48 95.57 Favored 'General case' 0 C--O 1.242 0.661 0 CA-C-O 122.11 0.957 . . . . 0.0 109.908 179.665 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -63.42 -41.31 98.69 Favored 'General case' 0 C--O 1.244 0.785 0 CA-C-O 122.462 1.125 . . . . 0.0 110.446 177.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -59.53 -47.81 89.56 Favored 'Isoleucine or valine' 0 C--O 1.252 1.189 0 CA-C-N 113.725 -1.58 . . . . 0.0 109.74 -179.042 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 15.3 m -67.6 -34.35 67.63 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.588 0 C-N-CA 117.792 -1.563 . . . . 0.0 109.277 178.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 34.9 tp -55.38 -51.93 65.22 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 118.576 -1.25 . . . . 0.0 111.619 178.046 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 34.8 m -68.5 -36.15 73.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 C-N-CA 118.168 -1.413 . . . . 0.0 111.733 -178.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.79 -48.52 66.06 Favored 'General case' 0 C--O 1.252 1.207 0 C-N-CA 118.883 -1.127 . . . . 0.0 112.052 -179.313 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . 0.405 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -63.21 -39.89 95.93 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 179.683 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 9.3 mp -64.58 -34.95 79.44 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 119.091 -1.044 . . . . 0.0 109.796 176.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 52.9 m -62.95 -50.02 72.44 Favored 'General case' 0 C--O 1.246 0.889 0 C-N-CA 119.776 -0.77 . . . . 0.0 111.592 179.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . 0.405 HG12 ' O ' ' B' ' 80' ' ' ALA . 14.5 p -63.21 -38.74 82.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 118.927 -1.109 . . . . 0.0 110.296 178.561 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.99 -30.84 71.86 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-O 121.198 0.523 . . . . 0.0 109.865 178.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 36.1 t -67.85 -54.8 16.16 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.707 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -56.65 -42.93 79.77 Favored 'General case' 0 C--O 1.238 0.494 0 C-N-CA 118.669 -1.212 . . . . 0.0 109.611 179.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -59.92 -38.22 81.73 Favored 'General case' 0 C--O 1.22 -0.451 0 C-N-CA 119.929 -0.708 . . . . 0.0 109.302 178.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.524 ' O ' ' O ' ' B' ' 91' ' ' GLU . 67.3 t80 -62.26 -45.65 92.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.101 -179.613 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -66.41 -54.89 19.15 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 120.39 -0.524 . . . . 0.0 112.125 -178.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 90' ' ' TRP . . . . . 0.601 ' CE3' ' OH ' ' A' ' 26' ' ' TYR . 25.2 t-105 -64.8 -40.54 95.4 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.159 0.504 . . . . 0.0 112.308 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . 0.524 ' O ' ' O ' ' B' ' 88' ' ' PHE . 1.5 tm-20 . . . . . 0 C--N 1.32 -0.711 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.674 -178.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.617 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.4 m -62.71 154.86 28.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.623 0.249 . . . . 0.0 110.36 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -61.73 -37.55 84.66 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 120.767 -0.373 . . . . 0.0 111.729 -179.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.7 tt -61.05 -41.26 96.27 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 -179.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -65.06 -37.59 88.05 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.144 178.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 43.9 m -59.31 -40.96 87.89 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 179.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.3 -45.94 85.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.357 179.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 99.1 mtp -59.85 -41.11 90.72 Favored 'General case' 0 C--O 1.247 0.944 0 CA-C-O 121.581 0.705 . . . . 0.0 109.839 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.17 -35.68 81.83 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.542 -0.753 . . . . 0.0 109.926 177.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 49.4 m -64.03 -42.91 96.92 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 119.73 -0.788 . . . . 0.0 109.913 179.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 36.9 mt -61.7 -42.67 99.24 Favored 'General case' 0 C--O 1.241 0.642 0 C-N-CA 119.286 -0.966 . . . . 0.0 108.846 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.9 mt -61.86 -45.18 99.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.994 178.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -61.97 -40.61 96.2 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.948 0.721 . . . . 0.0 112.948 -179.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.3 m -74.58 -41.55 48.64 Favored 'Isoleucine or valine' 0 C--O 1.255 1.382 0 C-N-CA 119.185 -1.006 . . . . 0.0 111.24 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -60.44 -48.09 83.28 Favored 'General case' 0 CA--C 1.513 -0.465 0 C-N-CA 119.111 -1.035 . . . . 0.0 109.826 177.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -63.76 -34.95 79.05 Favored 'General case' 0 CA--C 1.501 -0.926 0 CA-C-N 115.25 -0.887 . . . . 0.0 110.006 178.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.488 ' O ' ' HB2' ' A' ' 21' ' ' LYS . . . -57.85 -51.63 68.81 Favored 'General case' 0 N--CA 1.434 -1.231 0 C-N-CA 118.69 -1.204 . . . . 0.0 109.431 -178.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.458 ' CD2' ' HG ' ' A' ' 36' ' ' LEU . 23.2 m-70 -79.2 -52.18 8.5 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 114.589 1.329 . . . . 0.0 114.589 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.46 ' OG ' ' O ' ' A' ' 25' ' ' LYS . 22.7 t -57.98 -40.9 81.79 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 118.786 -1.166 . . . . 0.0 108.99 -179.23 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.14 -44.16 68.01 Favored Glycine 0 C--N 1.343 0.918 0 CA-C-N 115.223 -0.899 . . . . 0.0 112.097 178.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.488 ' HB2' ' O ' ' A' ' 17' ' ' ALA . 6.0 ttpm? -59.41 -42.21 91.25 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 120.133 -0.627 . . . . 0.0 112.012 -179.22 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.578 ' OE1' ' NZ ' ' A' ' 31' ' ' LYS . 97.2 mt-10 -129.32 151.87 49.49 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.27 -148.22 29.73 Favored Glycine 0 N--CA 1.464 0.552 0 CA-C-N 115.778 -0.646 . . . . 0.0 112.341 177.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -71.14 139.54 50.28 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 179.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.46 ' O ' ' OG ' ' A' ' 19' ' ' SER . 33.9 mtmt -61.62 -32.45 72.59 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.814 -178.141 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.595 ' OH ' ' CD2' ' B' ' 90' ' ' TRP . 96.2 m-85 -106.7 20.12 19.48 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -177.445 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.602 ' NZ ' ' OD2' ' A' ' 66' ' ' ASP . 3.9 tptt -137.97 137.83 38.32 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 119.437 -0.905 . . . . 0.0 109.017 178.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.5 tp -112.12 128.55 56.25 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 -178.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 92.6 p -101.31 166.8 10.57 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 116.69 -0.232 . . . . 0.0 110.882 -179.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.6 ttpt -53.42 -48.35 68.81 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-O 121.057 0.456 . . . . 0.0 112.077 -177.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.578 ' NZ ' ' OE1' ' A' ' 22' ' ' GLU . 17.5 pttp -61.05 -48.49 81.5 Favored 'General case' 0 N--CA 1.441 -0.899 0 C-N-CA 119.887 -0.725 . . . . 0.0 110.111 -178.606 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.56 ' N ' ' CG ' ' A' ' 31' ' ' LYS . 95.1 mt-10 -63.06 -49.91 72.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.244 -178.407 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.2 pp -60.97 -35.69 77.45 Favored 'General case' 0 CA--C 1.498 -1.033 0 C-N-CA 118.7 -1.2 . . . . 0.0 109.921 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.446 ' HG3' HE21 ' A' ' 38' ' ' GLN . 20.6 tptm -55.49 -37.04 67.3 Favored 'General case' 0 N--CA 1.433 -1.302 0 C-N-CA 118.11 -1.436 . . . . 0.0 108.37 178.452 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -75.9 -41.29 52.44 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 112.984 0.735 . . . . 0.0 112.984 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.458 ' HG ' ' CD2' ' A' ' 18' ' ' HIS . 2.7 tt -65.14 -45.45 84.97 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 120.416 -0.514 . . . . 0.0 111.563 -177.118 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.565 ' CD2' ' N ' ' A' ' 37' ' ' LEU . 1.2 mm? -64.54 -42.78 95.51 Favored 'General case' 0 CA--C 1.521 -0.164 0 C-N-CA 118.536 -1.266 . . . . 0.0 111.243 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.446 HE21 ' HG3' ' A' ' 34' ' ' LYS . 49.0 mt-30 -64.5 -39.54 93.98 Favored 'General case' 0 C--O 1.232 0.142 0 C-N-CA 119.942 -0.703 . . . . 0.0 111.861 179.499 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 66.2 p -70.4 -38.21 74.6 Favored 'General case' 0 C--O 1.232 0.134 0 C-N-CA 120.046 -0.661 . . . . 0.0 111.577 -179.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -92.25 -52.97 4.43 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.539 ' O ' ' O ' ' A' ' 37' ' ' LEU . 30.9 mt -104.17 141.59 35.98 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 121.138 0.494 . . . . 0.0 111.136 -179.336 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 m -113.38 -68.26 0.94 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.511 179.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.42 -37.66 88.58 Favored Glycine 0 CA--C 1.53 0.993 0 CA-C-N 115.521 -0.763 . . . . 0.0 113.853 -178.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -60.26 -53.02 62.62 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 118.086 0.943 . . . . 0.0 112.085 -178.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -75.76 -40.1 55.93 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 120.359 -0.536 . . . . 0.0 111.324 178.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -60.45 -33.34 72.41 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.417 -179.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.12 -34.77 70.58 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 -177.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.516 ' C ' ' H ' ' A' ' 50' ' ' ASP . 93.6 mm-40 -61.73 -34.41 75.75 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.123 -0.631 . . . . 0.0 109.637 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 79.5 tttt 67.59 -32.48 0.2 Allowed 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.299 -0.864 . . . . 0.0 112.095 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.516 ' H ' ' C ' ' A' ' 48' ' ' GLN . 88.1 m-20 -70.54 142.67 51.78 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.452 -0.499 . . . . 0.0 111.311 -179.664 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.7 m -72.72 -29.61 30.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.619 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -83.73 1.87 40.6 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.23 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.18 -38.21 76.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.79 -178.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.531 ' CG1' ' N ' ' A' ' 55' ' ' ASP . 7.3 p -59.76 -43.99 92.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 C-N-CA 119.785 -0.766 . . . . 0.0 110.097 179.222 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.531 ' N ' ' CG1' ' A' ' 54' ' ' VAL . 89.3 m-20 -62.86 -43.59 98.39 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.451 179.583 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 51.5 mttp -61.96 -40.32 95.15 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.951 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 69.9 t -66.76 -46.39 85.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.352 -179.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -65.05 -34.33 78.16 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 -178.253 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.3 mtmt -58.93 -41.14 86.63 Favored 'General case' 0 CA--C 1.52 -0.175 0 C-N-CA 119.192 -1.003 . . . . 0.0 110.923 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -65.52 -39.58 91.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.221 0.534 . . . . 0.0 110.961 178.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 71.7 mt -67.71 -35.43 78.78 Favored 'General case' 0 CA--C 1.51 -0.565 0 CA-C-N 115.485 -0.78 . . . . 0.0 112.651 -178.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -72.2 72.56 0.91 Allowed 'General case' 0 N--CA 1.445 -0.691 0 C-N-CA 118.347 -1.341 . . . . 0.0 110.686 -178.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -62.86 -37.56 87.34 Favored 'General case' 0 CA--C 1.497 -1.065 0 N-CA-C 106.92 -1.511 . . . . 0.0 106.92 175.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.482 ' OD1' ' OD2' ' A' ' 66' ' ' ASP . 18.5 t-20 -57.9 -39.74 78.64 Favored 'General case' 0 N--CA 1.429 -1.487 0 CA-C-N 111.567 -2.56 . . . . 0.0 111.28 178.552 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 79.87 18.72 71.98 Favored Glycine 0 CA--C 1.529 0.959 0 C-N-CA 121.396 -0.43 . . . . 0.0 112.94 177.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.602 ' OD2' ' NZ ' ' A' ' 27' ' ' LYS . 54.9 p30 -89.47 2.3 54.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 117.536 0.668 . . . . 0.0 112.508 -179.576 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 87.14 -2.61 86.92 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.655 -0.978 . . . . 0.0 110.655 178.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.505 ' OE1' ' O ' ' A' ' 66' ' ' ASP . 58.6 mp0 -121.2 160.32 24.07 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 115.419 -0.39 . . . . 0.0 110.517 179.532 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 48.3 t -102.87 130.23 53.28 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.584 0 N-CA-C 106.832 -1.544 . . . . 0.0 106.832 176.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 49.0 t0 -100.6 160.94 13.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.127 0.489 . . . . 0.0 111.601 -177.604 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.511 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 1.0 OUTLIER -50.58 -44.11 56.7 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.264 -178.792 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -61.83 -40.47 95.41 Favored 'General case' 0 C--O 1.245 0.847 0 C-N-CA 119.733 -0.787 . . . . 0.0 110.834 178.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 79.5 mt-10 -64.33 -42.69 96.16 Favored 'General case' 0 C--O 1.243 0.714 0 CA-C-O 122.374 1.083 . . . . 0.0 109.698 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.401 ' HH ' ' CD2' ' A' ' 36' ' ' LEU . 62.5 t80 -63.31 -40.82 98.4 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 114.299 -1.318 . . . . 0.0 110.106 178.646 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -60.37 -47.83 90.81 Favored 'Isoleucine or valine' 0 C--O 1.248 1.012 0 CA-C-N 113.779 -1.555 . . . . 0.0 109.825 -178.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 16.8 m -67.29 -34.97 72.43 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.572 0 C-N-CA 117.82 -1.552 . . . . 0.0 109.374 178.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 32.5 tp -56.83 -51.35 69.32 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 118.832 -1.147 . . . . 0.0 111.913 178.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.474 ' O ' ' OG1' ' A' ' 82' ' ' THR . 34.3 m -68.4 -36.22 73.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 C-N-CA 118.659 -1.216 . . . . 0.0 111.662 -178.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.86 -49.03 61.8 Favored 'General case' 0 C--O 1.25 1.081 0 C-N-CA 119.002 -1.079 . . . . 0.0 112.064 -179.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.88 -39.47 94.54 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.416 ' N ' HD13 ' A' ' 81' ' ' LEU . 9.7 mp -65.16 -34.3 78.07 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 119.346 -0.941 . . . . 0.0 109.819 176.644 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.474 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 37.4 m -63.06 -49.94 72.56 Favored 'General case' 0 C--O 1.245 0.831 0 C-N-CA 119.765 -0.774 . . . . 0.0 111.194 179.594 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.2 p -63.99 -39.18 84.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 118.95 -1.1 . . . . 0.0 110.73 178.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.49 -30.45 71.22 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-O 121.18 0.514 . . . . 0.0 109.933 178.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 42.4 t -67.81 -54.37 19.66 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.384 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -55.89 -41.34 74.32 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 118.69 -1.204 . . . . 0.0 108.579 178.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.669 ' O ' ' HB2' ' A' ' 91' ' ' GLU . 87.3 m-20 -59.33 -40.65 87.01 Favored 'General case' 0 C--O 1.2 -1.534 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.547 178.027 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.557 ' O ' ' O ' ' A' ' 91' ' ' GLU . 68.3 t80 -63.58 -40.66 97.53 Favored 'General case' 0 C--N 1.302 -1.482 0 C-N-CA 118.172 -1.411 . . . . 0.0 110.71 179.005 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -64.8 -60.29 3.25 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 120.046 -0.662 . . . . 0.0 112.233 -178.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.594 ' CD2' ' OH ' ' B' ' 26' ' ' TYR . 19.8 t-105 -68.73 -44.27 74.19 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 121.734 0.778 . . . . 0.0 111.55 179.186 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.669 ' HB2' ' O ' ' A' ' 87' ' ' ASN . 60.6 mm-40 -97.54 147.04 24.67 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.361 -1.291 . . . . 0.0 111.541 -179.491 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -55.46 -37.29 67.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.573 179.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 88.5 p . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.501 179.977 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.648 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 35.1 m -62.71 154.83 28.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.697 0.284 . . . . 0.0 110.305 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -61.68 -37.54 84.47 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 120.682 -0.407 . . . . 0.0 111.892 -179.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 5.7 tt -60.97 -41.29 96.11 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 -179.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.08 -37.54 87.85 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.213 178.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 43.6 m -59.26 -40.89 87.46 Favored 'General case' 0 CA--C 1.515 -0.383 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 178.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.55 -45.84 85.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.346 179.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 99.1 mtp -59.88 -41.12 90.87 Favored 'General case' 0 C--O 1.246 0.878 0 CA-C-O 121.579 0.704 . . . . 0.0 109.887 179.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.08 -36.43 84.29 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.834 177.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 47.5 m -63.17 -43.05 99.36 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 119.759 -0.776 . . . . 0.0 110.177 178.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 43.1 mt -61.86 -42.49 99.12 Favored 'General case' 0 C--O 1.241 0.62 0 C-N-CA 119.23 -0.988 . . . . 0.0 108.868 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.9 mt -61.83 -45.17 99.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.029 178.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -61.97 -40.64 96.31 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.964 0.727 . . . . 0.0 112.964 -179.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 17.2 m -74.56 -41.46 48.79 Favored 'Isoleucine or valine' 0 C--O 1.255 1.347 0 C-N-CA 119.147 -1.021 . . . . 0.0 111.278 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -60.57 -47.95 83.94 Favored 'General case' 0 CA--C 1.513 -0.468 0 C-N-CA 119.052 -1.059 . . . . 0.0 109.864 177.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -63.81 -34.91 78.96 Favored 'General case' 0 CA--C 1.501 -0.926 0 CA-C-N 115.254 -0.884 . . . . 0.0 109.987 178.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.482 ' O ' ' HB2' ' B' ' 21' ' ' LYS . . . -57.96 -51.57 69.1 Favored 'General case' 0 N--CA 1.435 -1.21 0 C-N-CA 118.643 -1.223 . . . . 0.0 109.404 -178.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.473 ' CD2' ' HG ' ' B' ' 36' ' ' LEU . 23.0 m-70 -79.18 -52.23 8.44 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 114.545 1.313 . . . . 0.0 114.545 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.452 ' OG ' ' O ' ' B' ' 25' ' ' LYS . 22.8 t -57.97 -40.96 81.92 Favored 'General case' 0 C--N 1.341 0.218 0 C-N-CA 118.852 -1.139 . . . . 0.0 108.939 -179.249 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.09 -44.11 68.64 Favored Glycine 0 C--N 1.343 0.931 0 CA-C-N 115.265 -0.879 . . . . 0.0 112.175 178.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.482 ' HB2' ' O ' ' B' ' 17' ' ' ALA . 6.0 ttpm? -59.43 -42.21 91.35 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 120.144 -0.622 . . . . 0.0 112.023 -179.256 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.586 ' OE1' ' NZ ' ' B' ' 31' ' ' LYS . 97.2 mt-10 -129.33 151.9 49.47 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 112.813 0.672 . . . . 0.0 112.813 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.23 -148.28 29.45 Favored Glycine 0 N--CA 1.465 0.568 0 CA-C-N 115.802 -0.636 . . . . 0.0 112.361 177.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -71.02 139.42 50.48 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 179.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.452 ' O ' ' OG ' ' B' ' 19' ' ' SER . 33.9 mtmt -61.52 -32.53 72.58 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 -178.161 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.594 ' OH ' ' CD2' ' A' ' 90' ' ' TRP . 96.3 m-85 -106.53 20.02 19.62 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 -177.534 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.61 ' NZ ' ' OD2' ' B' ' 66' ' ' ASP . 4.0 tptt -137.93 137.93 38.48 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 119.438 -0.905 . . . . 0.0 109.119 178.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 14.5 tp -112.18 128.48 56.24 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.161 -0.615 . . . . 0.0 109.368 -178.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 94.1 p -101.29 166.74 10.6 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.673 -0.239 . . . . 0.0 110.915 -179.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 24.6 ttpt -53.41 -48.44 68.71 Favored 'General case' 0 C--O 1.24 0.592 0 CA-C-O 121.096 0.474 . . . . 0.0 112.089 -177.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.586 ' NZ ' ' OE1' ' B' ' 22' ' ' GLU . 17.5 pttp -60.99 -48.52 81.45 Favored 'General case' 0 N--CA 1.441 -0.904 0 C-N-CA 119.943 -0.703 . . . . 0.0 110.063 -178.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.552 ' N ' ' CG ' ' B' ' 31' ' ' LYS . 95.0 mt-10 -63.03 -49.92 72.71 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.095 -0.642 . . . . 0.0 112.25 -178.39 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.2 pp -60.97 -35.71 77.5 Favored 'General case' 0 CA--C 1.499 -1.015 0 C-N-CA 118.71 -1.196 . . . . 0.0 109.908 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.449 ' HG3' HE21 ' B' ' 38' ' ' GLN . 20.7 tptm -55.41 -37.06 67.13 Favored 'General case' 0 N--CA 1.432 -1.354 0 C-N-CA 118.189 -1.404 . . . . 0.0 108.364 178.425 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -75.96 -41.14 52.35 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.473 ' HG ' ' CD2' ' B' ' 18' ' ' HIS . 2.7 tt -65.23 -45.49 84.45 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 120.466 -0.494 . . . . 0.0 111.599 -177.17 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.571 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 1.1 mm? -64.57 -42.65 95.52 Favored 'General case' 0 CA--C 1.521 -0.153 0 C-N-CA 118.504 -1.278 . . . . 0.0 111.304 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.449 HE21 ' HG3' ' B' ' 34' ' ' LYS . 49.0 mt-30 -64.66 -39.47 93.74 Favored 'General case' 0 C--O 1.231 0.108 0 C-N-CA 119.925 -0.71 . . . . 0.0 111.75 179.55 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 67.2 p -70.33 -38.33 74.87 Favored 'General case' 0 C--N 1.333 -0.119 0 C-N-CA 120.102 -0.639 . . . . 0.0 111.57 -179.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -92.17 -53.1 4.38 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.538 ' O ' ' O ' ' B' ' 37' ' ' LEU . 30.5 mt -104.06 141.54 36.04 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 121.248 0.546 . . . . 0.0 111.116 -179.27 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.4 m -113.41 -68.06 0.95 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.598 179.094 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.44 -37.72 88.87 Favored Glycine 0 CA--C 1.531 1.05 0 CA-C-N 115.621 -0.718 . . . . 0.0 113.855 -178.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -60.19 -53.11 61.66 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 117.965 0.883 . . . . 0.0 112.14 -178.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -75.69 -40.18 56.28 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 120.381 -0.528 . . . . 0.0 111.331 178.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -60.43 -33.22 72.22 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.513 -179.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.24 -34.63 70.66 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -177.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.515 ' C ' ' H ' ' B' ' 50' ' ' ASP . 93.6 mm-40 -61.85 -34.31 75.75 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.105 -0.638 . . . . 0.0 109.7 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 79.5 tttt 67.59 -32.51 0.2 Allowed 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.28 -0.873 . . . . 0.0 112.091 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . 0.515 ' H ' ' C ' ' B' ' 48' ' ' GLN . 88.1 m-20 -70.55 142.78 51.76 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.417 -0.513 . . . . 0.0 111.32 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 4.7 m -72.81 -29.61 30.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.614 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -83.75 1.82 40.91 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.245 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.11 -38.23 76.07 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.773 -179.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.537 ' CG1' ' N ' ' B' ' 55' ' ' ASP . 7.1 p -59.71 -44.05 92.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 C-N-CA 119.692 -0.803 . . . . 0.0 110.1 179.227 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.537 ' N ' ' CG1' ' B' ' 54' ' ' VAL . 89.2 m-20 -62.81 -43.55 98.51 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.523 179.605 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 51.6 mttp -62.06 -40.27 95.2 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.926 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 70.5 t -66.73 -46.5 85.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.071 -0.513 . . . . 0.0 112.325 -179.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -64.96 -34.36 78.24 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 -178.301 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 14.2 mtmt -58.99 -41.11 86.83 Favored 'General case' 0 CA--C 1.521 -0.148 0 C-N-CA 119.053 -1.059 . . . . 0.0 110.857 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -65.44 -39.62 92.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.241 0.543 . . . . 0.0 110.947 178.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 71.2 mt -67.72 -35.37 78.65 Favored 'General case' 0 CA--C 1.511 -0.526 0 CA-C-N 115.491 -0.777 . . . . 0.0 112.599 -178.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -72.19 72.34 0.9 Allowed 'General case' 0 N--CA 1.444 -0.74 0 C-N-CA 118.452 -1.299 . . . . 0.0 110.697 -178.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -62.75 -37.54 87.0 Favored 'General case' 0 CA--C 1.497 -1.091 0 N-CA-C 106.943 -1.503 . . . . 0.0 106.943 175.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.479 ' OD1' ' CG ' ' B' ' 66' ' ' ASP . 18.5 t-20 -57.87 -39.75 78.56 Favored 'General case' 0 N--CA 1.431 -1.407 0 CA-C-N 111.554 -2.566 . . . . 0.0 111.257 178.524 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 79.79 18.76 72.1 Favored Glycine 0 CA--C 1.53 1.028 0 C-N-CA 121.399 -0.429 . . . . 0.0 112.983 178.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.61 ' OD2' ' NZ ' ' B' ' 27' ' ' LYS . 54.7 p30 -89.51 2.36 54.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 117.486 0.643 . . . . 0.0 112.59 -179.638 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 87.2 -2.72 86.87 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.692 -0.963 . . . . 0.0 110.692 178.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.499 ' OE1' ' O ' ' B' ' 66' ' ' ASP . 58.5 mp0 -121.24 160.36 24.04 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-N 115.395 -0.403 . . . . 0.0 110.51 179.526 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 48.5 t -102.9 130.37 53.11 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 N-CA-C 106.831 -1.544 . . . . 0.0 106.831 176.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.531 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 48.3 t0 -100.38 160.9 13.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.146 0.498 . . . . 0.0 111.587 -177.57 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.531 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 1.0 OUTLIER -50.59 -44.14 56.82 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.17 -178.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -61.95 -40.34 95.21 Favored 'General case' 0 C--O 1.245 0.857 0 C-N-CA 119.835 -0.746 . . . . 0.0 110.797 178.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 79.5 mt-10 -64.42 -42.71 95.91 Favored 'General case' 0 C--O 1.244 0.783 0 CA-C-O 122.441 1.115 . . . . 0.0 109.664 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . 0.409 ' HH ' ' CD2' ' B' ' 36' ' ' LEU . 62.6 t80 -63.31 -40.86 98.5 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 114.372 -1.285 . . . . 0.0 110.143 178.672 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -60.3 -47.86 90.61 Favored 'Isoleucine or valine' 0 C--O 1.249 1.038 0 CA-C-N 113.736 -1.575 . . . . 0.0 109.874 -179.028 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 16.8 m -67.24 -34.95 72.49 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.561 0 C-N-CA 117.818 -1.553 . . . . 0.0 109.389 178.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 32.6 tp -56.87 -51.31 69.56 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 118.795 -1.162 . . . . 0.0 111.909 178.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.473 ' O ' ' OG1' ' B' ' 82' ' ' THR . 34.3 m -68.41 -36.22 73.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 118.69 -1.204 . . . . 0.0 111.665 -178.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.85 -49.23 60.17 Favored 'General case' 0 C--O 1.251 1.152 0 C-N-CA 119.078 -1.049 . . . . 0.0 111.982 -179.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.68 -39.57 94.36 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.412 ' N ' HD13 ' B' ' 81' ' ' LEU . 9.6 mp -65.08 -34.5 78.57 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 119.363 -0.935 . . . . 0.0 109.742 176.717 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.473 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 37.3 m -62.94 -49.88 73.03 Favored 'General case' 0 C--O 1.244 0.808 0 C-N-CA 119.731 -0.788 . . . . 0.0 111.192 179.708 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 13.1 p -63.97 -39.3 84.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 119.038 -1.065 . . . . 0.0 110.641 178.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.41 -30.47 71.28 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 121.145 0.498 . . . . 0.0 109.901 178.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 42.4 t -67.77 -54.4 19.55 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-N 115.487 -0.778 . . . . 0.0 109.417 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -55.99 -41.33 74.65 Favored 'General case' 0 C--O 1.239 0.517 0 C-N-CA 118.69 -1.204 . . . . 0.0 108.583 178.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . 0.651 ' O ' ' HB2' ' B' ' 91' ' ' GLU . 87.2 m-20 -59.25 -40.78 87.08 Favored 'General case' 0 C--O 1.201 -1.484 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.505 177.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.552 ' O ' ' O ' ' B' ' 91' ' ' GLU . 68.3 t80 -63.58 -40.62 97.43 Favored 'General case' 0 C--N 1.302 -1.49 0 C-N-CA 118.203 -1.399 . . . . 0.0 110.694 179.05 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -64.81 -60.24 3.31 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 120.068 -0.653 . . . . 0.0 112.29 -178.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.595 ' CD2' ' OH ' ' A' ' 26' ' ' TYR . 19.8 t-105 -68.78 -44.28 73.97 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.641 0.734 . . . . 0.0 111.485 179.143 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.651 ' HB2' ' O ' ' B' ' 87' ' ' ASN . 61.0 mm-40 -97.41 146.95 24.7 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 114.49 -1.232 . . . . 0.0 111.547 -179.505 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -55.51 -37.28 67.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.546 179.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 88.2 p . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.488 -179.986 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 201' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.54 ' O ' ' OE1' ' B' ' 40' ' ' GLU . . . . . . . . 0 CA--C 1.525 0.685 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.7 m -83.3 10.03 9.48 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 122.769 -0.254 . . . . 0.0 110.891 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -60.24 -38.22 82.79 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 -178.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.6 tt -61.97 -41.2 97.75 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 118.696 -1.202 . . . . 0.0 107.963 -179.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -65.32 -37.44 87.1 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.124 178.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.2 m -59.09 -41.0 87.04 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 179.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.74 -46.02 84.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.494 179.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 99.1 mtp -59.55 -41.42 90.06 Favored 'General case' 0 C--O 1.247 0.97 0 CA-C-O 121.78 0.8 . . . . 0.0 109.833 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.34 -35.45 81.03 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 115.327 -0.852 . . . . 0.0 110.132 177.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 53.1 m -64.29 -43.07 95.91 Favored 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 119.605 -0.838 . . . . 0.0 110.046 179.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 38.6 mt -61.85 -42.57 99.21 Favored 'General case' 0 C--O 1.239 0.515 0 C-N-CA 119.119 -1.033 . . . . 0.0 108.797 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.2 mt -61.68 -45.15 99.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 C-N-CA 119.732 -0.787 . . . . 0.0 111.176 178.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -62.05 -41.39 98.08 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 -179.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.8 m -73.65 -41.2 55.17 Favored 'Isoleucine or valine' 0 C--O 1.256 1.432 0 C-N-CA 119.128 -1.029 . . . . 0.0 110.938 -179.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -60.59 -47.43 86.23 Favored 'General case' 0 CA--C 1.513 -0.455 0 C-N-CA 119.388 -0.925 . . . . 0.0 109.767 177.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -63.52 -34.73 78.43 Favored 'General case' 0 CA--C 1.502 -0.894 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.839 177.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.501 ' O ' ' HB2' ' A' ' 21' ' ' LYS . . . -57.63 -51.85 67.84 Favored 'General case' 0 N--CA 1.436 -1.172 0 C-N-CA 118.746 -1.181 . . . . 0.0 109.333 -179.059 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.467 ' ND1' ' HG ' ' A' ' 36' ' ' LEU . 46.9 m80 -78.41 -52.89 7.89 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 114.772 1.397 . . . . 0.0 114.772 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.485 ' HG ' ' N ' ' A' ' 27' ' ' LYS . 24.7 t -58.04 -40.91 82.08 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 118.889 -1.124 . . . . 0.0 109.1 -179.153 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.13 -43.93 69.28 Favored Glycine 0 C--N 1.343 0.969 0 CA-C-N 115.316 -0.856 . . . . 0.0 112.12 178.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.501 ' HB2' ' O ' ' A' ' 17' ' ' ALA . 6.1 ttpm? -59.39 -42.27 91.33 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 120.112 -0.635 . . . . 0.0 111.814 -179.297 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.443 ' C ' ' OE2' ' A' ' 32' ' ' GLU . 76.9 mm-40 -129.94 151.4 50.54 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.2 -149.3 31.52 Favored Glycine 0 N--CA 1.464 0.558 0 CA-C-N 115.848 -0.615 . . . . 0.0 112.306 177.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -70.98 140.1 50.77 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 179.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.422 ' O ' ' OG ' ' A' ' 19' ' ' SER . 34.4 mtmt -61.73 -32.78 73.03 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 -177.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.604 ' OH ' ' CD2' ' B' ' 90' ' ' TRP . 93.7 m-85 -107.72 19.76 19.71 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 -177.153 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.485 ' N ' ' HG ' ' A' ' 19' ' ' SER . 34.0 tptt -139.92 143.95 36.88 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.459 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.5 tp -116.57 132.32 56.71 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 120.537 -0.465 . . . . 0.0 111.277 -175.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.9 t -99.71 158.59 15.67 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.566 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.9 ttpt -52.72 -45.75 67.08 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-O 121.267 0.556 . . . . 0.0 110.947 -177.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.585 ' CG ' ' N ' ' A' ' 32' ' ' GLU . 25.6 pttm -59.92 -48.02 83.39 Favored 'General case' 0 N--CA 1.437 -1.077 0 CA-C-N 115.564 -0.743 . . . . 0.0 109.675 -178.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.585 ' N ' ' CG ' ' A' ' 31' ' ' LYS . 95.2 mt-10 -63.31 -49.03 75.57 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 115.541 -0.754 . . . . 0.0 112.335 -178.489 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 pp -61.52 -34.65 75.89 Favored 'General case' 0 CA--C 1.501 -0.905 0 C-N-CA 118.577 -1.249 . . . . 0.0 109.963 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.561 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 0.3 OUTLIER -54.9 -37.38 66.25 Favored 'General case' 0 N--CA 1.436 -1.149 0 C-N-CA 118.058 -1.457 . . . . 0.0 108.004 178.046 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.46 ' O ' ' CG2' ' A' ' 39' ' ' THR . 97.4 mt-10 -74.88 -40.81 60.74 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 179.226 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.467 ' HG ' ' ND1' ' A' ' 18' ' ' HIS . 3.6 tt -66.07 -46.14 78.81 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 119.754 -0.778 . . . . 0.0 111.813 -176.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.571 ' CD2' ' N ' ' A' ' 37' ' ' LEU . 1.3 mm? -64.0 -43.23 96.28 Favored 'General case' 0 CA--C 1.519 -0.235 0 C-N-CA 118.578 -1.249 . . . . 0.0 111.13 -179.708 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.561 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 27.1 mt-30 -64.36 -39.43 93.86 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.584 -0.446 . . . . 0.0 112.141 179.651 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.46 ' CG2' ' O ' ' A' ' 35' ' ' GLU . 64.0 p -70.61 -38.62 74.0 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.039 -0.664 . . . . 0.0 111.432 -179.649 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.53 ' OE1' ' O ' ' B' ' 1' ' ' GLY . 80.0 mm-40 -92.85 -53.03 4.33 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.535 0.568 . . . . 0.0 112.535 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.557 ' O ' ' O ' ' A' ' 37' ' ' LEU . 29.9 mt -103.83 142.37 34.5 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.292 0.568 . . . . 0.0 111.417 -178.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.518 ' OG ' ' N ' ' A' ' 43' ' ' GLY . 51.8 p -115.81 -66.54 1.07 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.616 178.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.518 ' N ' ' OG ' ' A' ' 42' ' ' SER . . . -58.48 -37.76 89.2 Favored Glycine 0 CA--C 1.531 1.036 0 CA-C-N 115.664 -0.698 . . . . 0.0 113.777 -178.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -60.34 -52.91 63.26 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 117.938 0.869 . . . . 0.0 112.248 -178.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -74.58 -39.11 62.44 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 120.398 -0.521 . . . . 0.0 111.406 178.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -60.41 -32.63 71.53 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.648 -0.705 . . . . 0.0 112.636 -178.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.66 -33.59 68.48 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -177.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -61.69 -36.55 81.21 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 119.824 -0.75 . . . . 0.0 109.495 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.533 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 68.8 mttm 61.29 36.95 17.49 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.144 -0.935 . . . . 0.0 112.396 179.063 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.533 ' OD1' ' O ' ' A' ' 49' ' ' LYS . 91.7 m-20 -142.22 148.43 38.14 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 120.995 -0.282 . . . . 0.0 110.374 178.165 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.6 m -74.07 -31.29 29.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.558 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -82.85 -2.77 55.64 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.91 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.71 -38.57 78.58 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.491 -0.484 . . . . 0.0 110.735 -178.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.535 ' CG1' ' N ' ' A' ' 55' ' ' ASP . 10.0 p -60.92 -43.89 96.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 C-N-CA 119.815 -0.754 . . . . 0.0 110.616 179.644 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.535 ' N ' ' CG1' ' A' ' 54' ' ' VAL . 56.6 t0 -63.13 -45.03 93.9 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 120.168 -0.613 . . . . 0.0 110.387 179.692 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -62.6 -39.47 93.85 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 120.361 -0.536 . . . . 0.0 111.143 179.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 74.5 t -64.89 -45.31 95.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 C-N-CA 120.561 -0.456 . . . . 0.0 111.683 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.538 ' CE ' ' O ' ' A' ' 67' ' ' GLY . 0.9 OUTLIER -65.58 -33.59 76.25 Favored 'General case' 0 C--O 1.236 0.394 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 -178.838 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.5 mtmt -59.18 -40.98 87.37 Favored 'General case' 0 CA--C 1.52 -0.176 0 C-N-CA 119.398 -0.921 . . . . 0.0 111.186 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -64.8 -39.16 93.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.203 0.525 . . . . 0.0 110.704 179.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 62.1 mt -67.82 -35.12 78.04 Favored 'General case' 0 CA--C 1.508 -0.645 0 CA-C-N 115.428 -0.805 . . . . 0.0 112.112 -179.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.574 ' OD2' ' N ' ' A' ' 66' ' ' ASP . 31.1 t0 -72.22 76.85 0.98 Allowed 'General case' 0 N--CA 1.443 -0.786 0 C-N-CA 118.605 -1.238 . . . . 0.0 111.231 -178.027 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -63.44 -37.07 85.88 Favored 'General case' 0 CA--C 1.5 -0.954 0 CA-C-O 123.105 1.431 . . . . 0.0 107.284 175.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.493 ' OD1' ' OD2' ' A' ' 66' ' ' ASP . 15.6 t-20 -57.33 -38.86 74.75 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-N 111.464 -2.607 . . . . 0.0 112.077 179.277 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.445 ' C ' ' OD2' ' A' ' 62' ' ' ASP . . . 86.9 13.06 67.41 Favored Glycine 0 CA--C 1.529 0.951 0 C-N-CA 121.042 -0.599 . . . . 0.0 112.51 178.545 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.574 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 54.1 p30 -89.38 6.35 41.03 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.119 0.415 . . . . 0.0 112.119 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.538 ' O ' ' CE ' ' A' ' 58' ' ' MET . . . 68.96 -1.93 9.47 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.432 -1.067 . . . . 0.0 110.432 179.616 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.445 ' H ' ' C ' ' A' ' 66' ' ' ASP . 83.8 tt0 -117.45 144.76 44.69 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 47.9 t -96.48 133.33 38.21 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.44 0 C-N-CA 120.145 -0.622 . . . . 0.0 110.912 -176.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.551 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 51.1 t0 -100.2 159.49 15.07 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.333 0.587 . . . . 0.0 111.651 -178.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.551 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 1.0 OUTLIER -50.67 -43.97 57.6 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.618 -178.504 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -61.71 -40.31 94.58 Favored 'General case' 0 C--O 1.245 0.83 0 C-N-CA 119.673 -0.811 . . . . 0.0 110.899 179.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 -64.27 -42.82 96.26 Favored 'General case' 0 C--O 1.245 0.822 0 CA-C-O 122.497 1.141 . . . . 0.0 109.584 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -63.04 -41.11 99.42 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-N 114.268 -1.333 . . . . 0.0 110.413 178.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -60.23 -47.53 91.8 Favored 'Isoleucine or valine' 0 C--O 1.248 0.979 0 CA-C-N 113.706 -1.588 . . . . 0.0 109.784 -178.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 17.4 m -67.06 -34.92 72.88 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.597 0 C-N-CA 117.705 -1.598 . . . . 0.0 109.218 178.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 34.5 tp -56.5 -51.79 67.15 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 118.682 -1.207 . . . . 0.0 112.0 178.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.465 ' O ' ' OG1' ' A' ' 82' ' ' THR . 34.9 m -68.41 -36.2 73.89 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 C-N-CA 118.385 -1.326 . . . . 0.0 111.749 -178.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.57 -48.68 63.59 Favored 'General case' 0 C--O 1.249 1.039 0 C-N-CA 119.123 -1.031 . . . . 0.0 111.998 -179.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.99 -39.72 95.58 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 9.6 mp -65.0 -34.93 79.62 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 119.304 -0.958 . . . . 0.0 109.961 176.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.465 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 37.0 m -62.92 -50.32 71.33 Favored 'General case' 0 C--O 1.246 0.911 0 C-N-CA 119.655 -0.818 . . . . 0.0 111.484 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.5 p -63.98 -38.67 83.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 C-N-CA 119.129 -1.028 . . . . 0.0 110.682 178.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.66 -30.6 71.33 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 121.052 0.453 . . . . 0.0 109.897 178.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 24.8 t -68.34 -54.8 14.92 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.685 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -56.19 -41.08 74.98 Favored 'General case' 0 C--O 1.243 0.712 0 C-N-CA 118.748 -1.181 . . . . 0.0 108.666 178.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.667 ' O ' ' HB2' ' A' ' 91' ' ' GLU . 87.4 m-20 -59.46 -40.64 87.54 Favored 'General case' 0 C--O 1.199 -1.569 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.307 177.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.56 ' O ' ' O ' ' A' ' 91' ' ' GLU . 68.2 t80 -63.43 -40.2 96.55 Favored 'General case' 0 C--N 1.3 -1.557 0 C-N-CA 118.103 -1.439 . . . . 0.0 110.374 178.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -64.05 -61.28 2.36 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 120.023 -0.671 . . . . 0.0 112.354 -178.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.604 ' CE3' ' OH ' ' B' ' 26' ' ' TYR . 21.2 t-105 -69.23 -43.39 74.15 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 119.76 -0.776 . . . . 0.0 111.701 179.076 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.667 ' HB2' ' O ' ' A' ' 87' ' ' ASN . 93.8 mt-10 -97.72 148.14 23.65 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.391 -1.277 . . . . 0.0 111.692 -179.548 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -103.76 137.9 41.14 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.593 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 29.2 t . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 118.012 -0.994 . . . . 0.0 110.562 -179.961 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . 0.53 ' O ' ' OE1' ' A' ' 40' ' ' GLU . . . . . . . . 0 CA--C 1.525 0.708 0 N-CA-C 110.944 -0.863 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 75.3 m -83.4 10.12 9.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 122.751 -0.264 . . . . 0.0 110.83 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -60.32 -38.23 83.06 Favored 'General case' 0 C--O 1.237 0.397 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -178.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 5.6 tt -61.93 -41.24 97.73 Favored 'General case' 0 C--O 1.238 0.48 0 C-N-CA 118.722 -1.191 . . . . 0.0 107.971 -179.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -65.26 -37.48 87.35 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.096 178.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 45.7 m -59.07 -40.87 86.52 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 179.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.9 -46.02 83.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.391 179.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 99.1 mtp -59.65 -41.45 90.6 Favored 'General case' 0 C--O 1.249 1.056 0 CA-C-O 121.651 0.739 . . . . 0.0 109.75 179.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.13 -36.28 83.77 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.122 177.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 51.2 m -63.35 -43.36 97.93 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 119.712 -0.795 . . . . 0.0 110.254 179.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 44.7 mt -61.86 -42.49 99.11 Favored 'General case' 0 C--O 1.238 0.495 0 C-N-CA 119.185 -1.006 . . . . 0.0 108.773 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.413 HG21 HD13 ' B' ' 12' ' ' ILE . 97.2 mt -61.65 -45.18 99.21 Favored 'Isoleucine or valine' 0 C--O 1.232 0.163 0 CA-C-N 115.432 -0.803 . . . . 0.0 111.162 178.476 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -62.2 -41.36 98.28 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 -178.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 15.8 m -73.63 -41.21 55.31 Favored 'Isoleucine or valine' 0 C--O 1.256 1.399 0 C-N-CA 119.15 -1.02 . . . . 0.0 110.914 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -60.59 -47.37 86.51 Favored 'General case' 0 CA--C 1.513 -0.48 0 C-N-CA 119.416 -0.913 . . . . 0.0 109.77 177.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -63.59 -34.75 78.51 Favored 'General case' 0 CA--C 1.502 -0.9 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.8 177.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.49 ' O ' ' HB2' ' B' ' 21' ' ' LYS . . . -57.68 -51.73 68.34 Favored 'General case' 0 N--CA 1.435 -1.183 0 C-N-CA 118.746 -1.182 . . . . 0.0 109.356 -179.059 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.475 ' ND1' ' HG ' ' B' ' 36' ' ' LEU . 46.9 m80 -78.46 -52.93 7.82 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.497 ' HG ' ' N ' ' B' ' 27' ' ' LYS . 24.7 t -58.08 -40.98 82.46 Favored 'General case' 0 C--O 1.232 0.172 0 C-N-CA 118.989 -1.085 . . . . 0.0 109.083 -179.152 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.01 -44.06 69.42 Favored Glycine 0 C--N 1.342 0.909 0 O-C-N 124.093 0.871 . . . . 0.0 112.104 178.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.49 ' HB2' ' O ' ' B' ' 17' ' ' ALA . 6.1 ttpm? -59.32 -42.32 91.14 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.145 -0.622 . . . . 0.0 111.858 -179.286 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.441 ' C ' ' OE2' ' B' ' 32' ' ' GLU . 76.9 mm-40 -129.91 151.45 50.45 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 179.785 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.15 -149.22 31.5 Favored Glycine 0 CA--C 1.524 0.608 0 CA-C-N 115.835 -0.621 . . . . 0.0 112.338 177.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -70.94 140.12 50.85 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 179.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.417 ' O ' ' OG ' ' B' ' 19' ' ' SER . 34.4 mtmt -61.8 -32.82 73.15 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 -177.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.604 ' OH ' ' CE3' ' A' ' 90' ' ' TRP . 93.8 m-85 -107.62 19.69 19.84 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 113.067 0.766 . . . . 0.0 113.067 -177.12 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.497 ' N ' ' HG ' ' B' ' 19' ' ' SER . 34.8 tptt -139.82 144.04 37.12 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 179.497 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 14.5 tp -116.66 132.33 56.72 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 120.519 -0.472 . . . . 0.0 111.276 -175.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 33.0 t -99.69 158.65 15.63 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.527 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 19.9 ttpt -52.78 -45.74 67.29 Favored 'General case' 0 C--O 1.24 0.572 0 CA-C-O 121.212 0.53 . . . . 0.0 110.992 -177.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.582 ' CG ' ' N ' ' B' ' 32' ' ' GLU . 25.6 pttm -59.9 -48.1 83.05 Favored 'General case' 0 N--CA 1.438 -1.049 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.593 -178.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.582 ' N ' ' CG ' ' B' ' 31' ' ' LYS . 95.1 mt-10 -63.19 -49.15 75.4 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.317 -178.459 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 pp -61.42 -34.63 75.71 Favored 'General case' 0 CA--C 1.501 -0.926 0 C-N-CA 118.537 -1.265 . . . . 0.0 110.03 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.564 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 0.3 OUTLIER -54.94 -37.4 66.37 Favored 'General case' 0 N--CA 1.437 -1.111 0 C-N-CA 118.048 -1.461 . . . . 0.0 107.995 178.042 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.456 ' O ' ' CG2' ' B' ' 39' ' ' THR . 97.4 mt-10 -74.84 -40.88 60.79 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 179.218 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.475 ' HG ' ' ND1' ' B' ' 18' ' ' HIS . 3.6 tt -66.08 -46.09 78.95 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 119.723 -0.791 . . . . 0.0 111.833 -176.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.574 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 1.2 mm? -64.09 -43.19 96.13 Favored 'General case' 0 CA--C 1.52 -0.195 0 C-N-CA 118.623 -1.231 . . . . 0.0 111.056 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.564 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 27.1 mt-30 -64.44 -39.44 93.82 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.538 -0.465 . . . . 0.0 112.134 179.663 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.456 ' CG2' ' O ' ' B' ' 35' ' ' GLU . 64.4 p -70.51 -38.63 74.31 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 120.082 -0.647 . . . . 0.0 111.385 -179.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.54 ' OE1' ' O ' ' A' ' 1' ' ' GLY . 80.1 mm-40 -92.84 -53.01 4.34 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.538 0.569 . . . . 0.0 112.538 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.556 ' O ' ' O ' ' B' ' 37' ' ' LEU . 29.9 mt -103.86 142.36 34.53 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 121.181 0.515 . . . . 0.0 111.443 -178.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.521 ' OG ' ' N ' ' B' ' 43' ' ' GLY . 51.8 p -115.89 -66.48 1.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.603 178.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . 0.521 ' N ' ' OG ' ' B' ' 42' ' ' SER . . . -58.54 -37.81 89.66 Favored Glycine 0 CA--C 1.531 1.04 0 CA-C-N 115.733 -0.667 . . . . 0.0 113.639 -178.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -60.35 -52.85 63.48 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 118.007 0.904 . . . . 0.0 112.285 -178.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -74.5 -39.14 62.6 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.12 0.486 . . . . 0.0 111.393 178.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -60.42 -32.65 71.56 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.646 -178.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.66 -33.57 68.45 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -177.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 94.0 mm-40 -61.73 -36.59 81.4 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 119.768 -0.773 . . . . 0.0 109.376 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.536 ' O ' ' OD1' ' B' ' 50' ' ' ASP . 68.8 mttm 61.27 36.98 17.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.2 -0.909 . . . . 0.0 112.414 179.092 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . 0.536 ' OD1' ' O ' ' B' ' 49' ' ' LYS . 92.0 m-20 -142.22 148.45 38.16 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 120.974 -0.291 . . . . 0.0 110.32 178.142 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 5.6 m -74.12 -31.18 28.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.564 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -82.85 -2.74 55.57 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.913 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.63 -38.62 78.47 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.466 -0.494 . . . . 0.0 110.786 -179.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.536 ' CG1' ' N ' ' B' ' 55' ' ' ASP . 9.9 p -60.88 -43.96 96.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 C-N-CA 119.779 -0.769 . . . . 0.0 110.622 179.62 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.536 ' N ' ' CG1' ' B' ' 54' ' ' VAL . 56.5 t0 -63.05 -45.12 93.73 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 120.264 -0.574 . . . . 0.0 110.401 179.647 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -62.53 -39.52 93.84 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 120.489 -0.484 . . . . 0.0 111.148 179.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 74.7 t -64.86 -45.3 95.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 C-N-CA 120.519 -0.473 . . . . 0.0 111.671 -179.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' MET . . . . . 0.535 ' CE ' ' O ' ' B' ' 67' ' ' GLY . 0.9 OUTLIER -65.55 -33.76 76.67 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 113.526 0.936 . . . . 0.0 113.526 -178.792 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 12.5 mtmt -59.2 -40.93 87.3 Favored 'General case' 0 CA--C 1.522 -0.117 0 C-N-CA 119.39 -0.924 . . . . 0.0 111.116 -179.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -64.85 -39.15 93.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.192 0.52 . . . . 0.0 110.667 179.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 61.8 mt -67.81 -35.18 78.16 Favored 'General case' 0 CA--C 1.508 -0.649 0 CA-C-N 115.386 -0.825 . . . . 0.0 112.093 -179.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.579 ' OD2' ' N ' ' B' ' 66' ' ' ASP . 31.4 t0 -72.18 76.7 0.97 Allowed 'General case' 0 N--CA 1.443 -0.813 0 C-N-CA 118.724 -1.191 . . . . 0.0 111.236 -177.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -63.28 -37.17 86.19 Favored 'General case' 0 CA--C 1.5 -0.946 0 CA-C-O 123.219 1.485 . . . . 0.0 107.335 175.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.501 ' OD1' ' OD2' ' B' ' 66' ' ' ASP . 15.6 t-20 -57.28 -38.8 74.48 Favored 'General case' 0 C--N 1.304 -1.379 0 CA-C-N 111.393 -2.639 . . . . 0.0 112.101 179.204 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.453 ' C ' ' OD2' ' B' ' 62' ' ' ASP . . . 86.8 13.1 67.61 Favored Glycine 0 CA--C 1.529 0.943 0 C-N-CA 121.045 -0.598 . . . . 0.0 112.512 178.556 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.579 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 54.2 p30 -89.38 6.35 41.01 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -179.757 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.535 ' O ' ' CE ' ' B' ' 58' ' ' MET . . . 69.0 -1.98 9.48 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.337 -1.105 . . . . 0.0 110.337 179.624 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.468 ' H ' ' C ' ' B' ' 66' ' ' ASP . 83.8 tt0 -117.45 144.86 44.59 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 47.9 t -96.61 133.29 38.54 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.492 0 C-N-CA 120.162 -0.615 . . . . 0.0 110.866 -176.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.553 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 50.4 t0 -99.86 159.46 15.06 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.361 0.6 . . . . 0.0 111.617 -178.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.553 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 1.0 OUTLIER -50.76 -44.01 58.47 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.693 -178.746 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -61.6 -40.34 94.43 Favored 'General case' 0 C--O 1.247 0.949 0 C-N-CA 119.666 -0.813 . . . . 0.0 110.911 178.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 -64.29 -42.8 96.21 Favored 'General case' 0 C--O 1.244 0.78 0 CA-C-O 122.509 1.147 . . . . 0.0 109.532 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -63.05 -41.11 99.4 Favored 'General case' 0 C--O 1.24 0.598 0 CA-C-N 114.288 -1.324 . . . . 0.0 110.4 178.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -60.36 -47.45 92.38 Favored 'Isoleucine or valine' 0 C--O 1.248 1.01 0 CA-C-N 113.701 -1.59 . . . . 0.0 109.751 -178.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 17.2 m -67.04 -34.89 72.75 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.644 0 C-N-CA 117.713 -1.595 . . . . 0.0 109.31 178.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 33.9 tp -56.56 -51.71 67.53 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 118.732 -1.187 . . . . 0.0 112.055 178.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.459 ' O ' ' OG1' ' B' ' 82' ' ' THR . 34.8 m -68.37 -36.23 74.09 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 C-N-CA 118.465 -1.294 . . . . 0.0 111.799 -178.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.63 -48.67 63.47 Favored 'General case' 0 C--O 1.249 1.055 0 C-N-CA 119.056 -1.058 . . . . 0.0 112.004 -179.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.89 -39.79 95.56 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 9.5 mp -64.95 -35.08 80.01 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 119.217 -0.993 . . . . 0.0 109.927 176.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.459 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 36.5 m -62.72 -50.41 71.23 Favored 'General case' 0 C--O 1.247 0.947 0 C-N-CA 119.749 -0.78 . . . . 0.0 111.409 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 13.3 p -63.88 -38.82 83.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 119.112 -1.035 . . . . 0.0 110.672 178.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.59 -30.51 71.24 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-O 121.138 0.494 . . . . 0.0 109.995 178.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 25.0 t -68.41 -54.91 13.98 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.517 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -56.12 -41.13 74.81 Favored 'General case' 0 C--O 1.242 0.694 0 C-N-CA 118.792 -1.163 . . . . 0.0 108.688 179.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . 0.65 ' O ' ' HB2' ' B' ' 91' ' ' GLU . 87.3 m-20 -59.35 -40.7 87.25 Favored 'General case' 0 C--O 1.199 -1.559 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.427 177.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.558 ' O ' ' O ' ' B' ' 91' ' ' GLU . 68.6 t80 -63.48 -39.98 95.89 Favored 'General case' 0 C--N 1.301 -1.514 0 C-N-CA 118.1 -1.44 . . . . 0.0 110.452 178.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -64.26 -61.2 2.4 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 120.033 -0.667 . . . . 0.0 112.328 -178.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.604 ' CD2' ' OH ' ' A' ' 26' ' ' TYR . 21.4 t-105 -69.26 -43.45 73.9 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 119.793 -0.763 . . . . 0.0 111.623 179.064 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.65 ' HB2' ' O ' ' B' ' 87' ' ' ASN . 93.9 mt-10 -97.64 148.07 23.68 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 114.391 -1.277 . . . . 0.0 111.713 -179.539 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -103.82 137.84 41.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.562 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 29.3 t . . . . . 0 C--O 1.221 -0.407 0 CA-C-O 117.976 -1.012 . . . . 0.0 110.642 -179.988 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 201' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.747 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.416 ' OG ' ' O ' ' B' ' 40' ' ' GLU . 52.6 p -69.6 162.95 26.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.757 0.313 . . . . 0.0 110.398 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -61.03 -36.42 79.5 Favored 'General case' 0 C--O 1.238 0.46 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -179.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.6 tt -59.65 -41.87 91.53 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 119.032 -1.067 . . . . 0.0 108.172 -178.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.413 ' OE2' ' CD2' ' B' ' 41' ' ' LEU . 71.5 mm-40 -65.84 -36.31 83.11 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.786 177.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 42.6 m -58.74 -41.29 86.12 Favored 'General case' 0 C--O 1.238 0.46 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 178.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.72 -46.08 83.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.724 179.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 99.4 mtp -59.45 -41.3 89.34 Favored 'General case' 0 C--O 1.247 0.957 0 CA-C-O 121.732 0.777 . . . . 0.0 109.608 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.21 -35.77 82.08 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.987 177.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 53.6 m -63.46 -43.12 98.27 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 119.494 -0.882 . . . . 0.0 109.92 179.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 36.9 mt -61.58 -42.49 98.92 Favored 'General case' 0 C--O 1.241 0.653 0 C-N-CA 119.16 -1.016 . . . . 0.0 108.703 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.412 HG21 HD13 ' A' ' 12' ' ' ILE . 97.9 mt -61.2 -45.25 98.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.035 178.458 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -62.13 -40.9 97.46 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -179.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.9 m -74.41 -41.44 49.81 Favored 'Isoleucine or valine' 0 C--O 1.256 1.441 0 C-N-CA 119.165 -1.014 . . . . 0.0 111.238 -179.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -60.37 -47.8 84.49 Favored 'General case' 0 CA--C 1.512 -0.494 0 C-N-CA 119.105 -1.038 . . . . 0.0 109.701 177.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -63.9 -34.66 78.46 Favored 'General case' 0 CA--C 1.5 -0.955 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.942 177.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.487 ' O ' ' HB2' ' A' ' 21' ' ' LYS . . . -57.99 -51.78 68.22 Favored 'General case' 0 N--CA 1.434 -1.234 0 C-N-CA 118.532 -1.267 . . . . 0.0 109.513 -178.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.466 ' CD2' ' HG ' ' A' ' 36' ' ' LEU . 25.4 m-70 -79.07 -53.37 7.07 Favored 'General case' 0 C--O 1.242 0.7 0 N-CA-C 114.658 1.355 . . . . 0.0 114.658 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.469 ' OG ' ' O ' ' A' ' 25' ' ' LYS . 25.7 t -57.67 -40.07 78.52 Favored 'General case' 0 CA--C 1.519 -0.222 0 C-N-CA 118.738 -1.185 . . . . 0.0 108.574 -179.478 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.13 -43.68 89.37 Favored Glycine 0 C--N 1.341 0.838 0 CA-C-N 115.197 -0.911 . . . . 0.0 111.544 178.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.487 ' HB2' ' O ' ' A' ' 17' ' ' ALA . 5.9 ttpm? -59.52 -42.19 91.67 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.219 -0.592 . . . . 0.0 112.377 -178.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -128.8 148.97 50.91 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 114.028 1.122 . . . . 0.0 114.028 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.17 -133.8 50.8 Favored Glycine 0 N--CA 1.465 0.609 0 CA-C-N 115.062 -0.972 . . . . 0.0 113.312 176.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -79.51 127.93 32.74 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 114.726 -0.737 . . . . 0.0 109.8 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.469 ' O ' ' OG ' ' A' ' 19' ' ' SER . 33.2 mtmt -57.79 -31.94 67.05 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.229 -0.896 . . . . 0.0 112.933 -177.139 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.602 ' OH ' ' CE3' ' B' ' 90' ' ' TRP . 98.8 m-85 -106.3 19.85 19.87 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -177.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.437 ' CG ' ' OE2' ' A' ' 68' ' ' GLU . 16.8 tptm -139.99 143.27 36.39 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.287 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.1 tp -116.31 130.46 56.79 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.905 -176.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 35.1 t -102.14 162.34 12.99 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 -179.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.7 ttpt -52.1 -46.31 65.2 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-O 121.161 0.505 . . . . 0.0 111.204 -178.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.583 ' CG ' ' N ' ' A' ' 32' ' ' GLU . 54.3 pttt -60.4 -48.6 81.03 Favored 'General case' 0 N--CA 1.437 -1.08 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.004 -178.673 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.583 ' N ' ' CG ' ' A' ' 31' ' ' LYS . 93.7 mt-10 -64.13 -52.13 60.61 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.3 -178.122 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.0 pp -60.38 -36.38 77.92 Favored 'General case' 0 CA--C 1.499 -1.008 0 C-N-CA 119.29 -0.964 . . . . 0.0 110.731 -179.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.8 tptm -55.79 -36.45 67.4 Favored 'General case' 0 N--CA 1.432 -1.351 0 C-N-CA 117.759 -1.576 . . . . 0.0 107.97 178.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -75.14 -40.61 59.57 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 179.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.466 ' HG ' ' CD2' ' A' ' 18' ' ' HIS . 3.0 tt -65.51 -46.04 81.21 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 120.322 -0.551 . . . . 0.0 111.458 -177.309 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.582 ' O ' ' N ' ' A' ' 41' ' ' LEU . 1.1 mm? -64.44 -41.94 96.27 Favored 'General case' 0 CA--C 1.519 -0.221 0 C-N-CA 118.858 -1.137 . . . . 0.0 110.84 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -64.01 -39.78 94.87 Favored 'General case' 0 C--O 1.231 0.129 0 C-N-CA 120.358 -0.537 . . . . 0.0 111.948 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 71.6 p -71.1 -38.5 72.36 Favored 'General case' 0 C--N 1.334 -0.101 0 C-N-CA 119.999 -0.68 . . . . 0.0 111.536 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -91.09 -50.77 5.67 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.582 ' N ' ' O ' ' A' ' 37' ' ' LEU . 29.5 mt -107.42 143.12 36.21 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 121.245 0.545 . . . . 0.0 111.57 -179.152 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.1 -66.51 1.08 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.229 178.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.29 -37.87 92.5 Favored Glycine 0 CA--C 1.533 1.186 0 CA-C-N 115.663 -0.699 . . . . 0.0 113.834 -179.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -60.05 -52.62 64.57 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 118.071 0.935 . . . . 0.0 112.203 -177.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -74.23 -40.89 62.11 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 120.281 -0.567 . . . . 0.0 111.151 178.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -61.28 -33.58 73.8 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.611 -0.722 . . . . 0.0 112.071 -179.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.63 -32.85 69.43 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -177.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.415 ' C ' ' H ' ' A' ' 50' ' ' ASP . 94.7 mm-40 -60.72 -33.77 73.4 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.138 -0.625 . . . . 0.0 109.864 -179.721 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.5 tttp 71.09 -35.8 0.34 Allowed 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.488 -0.778 . . . . 0.0 112.23 179.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.415 ' H ' ' C ' ' A' ' 48' ' ' GLN . 88.2 m-20 -70.15 142.59 52.49 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.305 -0.558 . . . . 0.0 111.231 -179.59 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.8 m -72.72 -30.05 32.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.801 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -86.63 5.3 36.54 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.254 0.55 . . . . 0.0 110.081 179.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.62 -38.77 72.54 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.852 -178.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.511 ' CG1' ' N ' ' A' ' 55' ' ' ASP . 7.0 p -60.3 -43.74 94.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.671 0 C-N-CA 119.788 -0.765 . . . . 0.0 110.168 179.223 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.511 ' N ' ' CG1' ' A' ' 54' ' ' VAL . 91.7 m-20 -61.49 -43.24 99.22 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.059 179.365 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -62.67 -37.52 86.76 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.112 -0.635 . . . . 0.0 109.816 178.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 68.0 t -64.21 -45.72 95.49 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 CA-C-N 115.699 -0.682 . . . . 0.0 112.733 -178.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.505 ' CE ' ' O ' ' A' ' 67' ' ' GLY . 2.2 ptp -66.66 -33.62 76.06 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 118.818 -1.153 . . . . 0.0 113.113 -178.722 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 35.8 mmtt -59.25 -42.02 90.17 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 119.363 -0.935 . . . . 0.0 112.069 -178.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -66.2 -41.44 90.19 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.095 -0.642 . . . . 0.0 110.896 179.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.436 ' O ' ' CD ' ' A' ' 73' ' ' GLU . 78.5 mt -68.81 -32.11 71.58 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.82 -1.082 . . . . 0.0 112.741 -179.377 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.611 ' OD2' ' N ' ' A' ' 66' ' ' ASP . 50.7 t0 -74.3 94.13 2.47 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 -175.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 -65.68 -46.85 77.54 Favored 'General case' 0 CA--C 1.509 -0.632 0 CA-C-O 122.613 1.197 . . . . 0.0 110.622 175.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 31.5 m120 -59.57 -35.27 73.94 Favored 'General case' 0 C--N 1.304 -1.41 0 CA-C-N 112.493 -2.14 . . . . 0.0 112.183 -178.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.451 ' C ' ' OD2' ' A' ' 62' ' ' ASP . . . 86.1 14.91 65.85 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 108.988 -1.645 . . . . 0.0 108.988 -177.729 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.611 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 27.0 p-10 -87.6 6.46 34.42 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 115.085 -0.558 . . . . 0.0 112.279 -179.017 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.505 ' O ' ' CE ' ' A' ' 58' ' ' MET . . . 64.76 -2.53 2.55 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.198 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.488 ' H ' ' C ' ' A' ' 66' ' ' ASP . 82.5 tt0 -112.8 144.22 42.72 Favored 'General case' 0 C--O 1.241 0.62 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 45.7 t -102.35 132.92 47.39 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.656 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.279 -176.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.492 ' C ' ' OD1' ' A' ' 70' ' ' ASP . 39.6 p30 -100.16 171.6 7.7 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.215 0.531 . . . . 0.0 110.352 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -54.51 -45.45 73.3 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.765 -178.477 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -61.87 -41.15 97.51 Favored 'General case' 0 C--O 1.243 0.76 0 C-N-CA 120.054 -0.659 . . . . 0.0 112.163 -179.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.436 ' CD ' ' O ' ' A' ' 61' ' ' LEU . 96.7 mt-10 -64.82 -41.61 95.63 Favored 'General case' 0 C--O 1.243 0.712 0 CA-C-O 122.139 0.971 . . . . 0.0 109.877 179.175 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 68.8 t80 -63.37 -41.36 98.8 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-N 114.933 -1.031 . . . . 0.0 110.241 178.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -60.16 -47.64 91.24 Favored 'Isoleucine or valine' 0 C--O 1.248 1.003 0 CA-C-N 113.86 -1.518 . . . . 0.0 110.064 -179.013 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 13.5 m -67.59 -34.54 68.83 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.495 0 C-N-CA 117.804 -1.559 . . . . 0.0 109.279 178.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 32.7 tp -56.64 -50.77 71.08 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 118.676 -1.21 . . . . 0.0 111.666 178.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.429 ' O ' ' OG1' ' A' ' 82' ' ' THR . 35.2 m -68.44 -36.66 75.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 118.403 -1.319 . . . . 0.0 111.7 -179.019 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.41 -48.2 65.27 Favored 'General case' 0 C--O 1.252 1.218 0 C-N-CA 119.146 -1.022 . . . . 0.0 112.007 -179.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.403 ' O ' HG11 ' A' ' 83' ' ' VAL . . . -62.78 -39.84 95.48 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.09 179.544 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 9.3 mp -65.3 -35.22 80.33 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 119.302 -0.959 . . . . 0.0 109.965 176.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.429 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 35.8 m -62.29 -50.63 70.92 Favored 'General case' 0 C--O 1.249 1.072 0 C-N-CA 119.692 -0.803 . . . . 0.0 111.393 179.673 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.403 HG11 ' O ' ' A' ' 80' ' ' ALA . 13.8 p -63.59 -38.25 81.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 119.175 -1.01 . . . . 0.0 110.548 178.699 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.45 -31.44 72.53 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.236 178.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 4.8 t -69.87 -55.09 10.67 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.881 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 53.8 t-20 -56.8 -40.93 76.83 Favored 'General case' 0 C--O 1.243 0.713 0 C-N-CA 118.029 -1.468 . . . . 0.0 108.969 179.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.599 ' ND2' ' OE1' ' A' ' 91' ' ' GLU . 8.4 t-20 -60.49 -37.73 82.0 Favored 'General case' 0 C--O 1.201 -1.493 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 178.25 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.519 ' O ' ' O ' ' A' ' 91' ' ' GLU . 67.7 t80 -60.33 -41.59 93.86 Favored 'General case' 0 C--N 1.313 -0.997 0 C-N-CA 118.712 -1.195 . . . . 0.0 109.432 179.53 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -65.88 -59.7 3.6 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 112.943 0.72 . . . . 0.0 112.943 -179.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.597 ' CE3' ' OH ' ' B' ' 26' ' ' TYR . 20.4 t-105 -69.35 -46.26 67.44 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-O 121.885 0.85 . . . . 0.0 111.63 179.599 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.599 ' OE1' ' ND2' ' A' ' 87' ' ' ASN . 36.4 mt-10 -95.05 145.64 24.83 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 114.129 -1.396 . . . . 0.0 111.033 179.396 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -102.07 121.8 42.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.553 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 47.6 t . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.572 179.924 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.699 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 52.8 p -69.7 163.04 26.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.72 0.295 . . . . 0.0 110.407 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -61.15 -36.4 79.69 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -179.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 5.6 tt -59.58 -41.99 91.47 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 119.054 -1.058 . . . . 0.0 108.147 -178.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.411 ' OE2' ' CD2' ' A' ' 41' ' ' LEU . 71.5 mm-40 -65.76 -36.38 83.39 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.786 177.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 44.9 m -58.75 -41.04 85.57 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 178.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.03 -45.96 83.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.64 179.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 99.3 mtp -59.53 -41.29 89.67 Favored 'General case' 0 C--O 1.247 0.955 0 CA-C-O 121.664 0.745 . . . . 0.0 109.639 179.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.2 -36.46 84.25 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.918 177.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 52.5 m -62.69 -43.36 99.02 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 119.487 -0.885 . . . . 0.0 110.088 179.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 42.7 mt -61.62 -42.39 98.81 Favored 'General case' 0 C--O 1.241 0.654 0 C-N-CA 119.172 -1.011 . . . . 0.0 108.64 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 98.0 mt -61.15 -45.26 98.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.026 178.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -62.16 -40.87 97.43 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 -178.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 15.8 m -74.37 -41.43 50.12 Favored 'Isoleucine or valine' 0 C--O 1.255 1.368 0 C-N-CA 119.189 -1.004 . . . . 0.0 111.27 -179.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -60.39 -47.84 84.31 Favored 'General case' 0 CA--C 1.511 -0.535 0 C-N-CA 119.066 -1.054 . . . . 0.0 109.682 177.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -63.75 -34.72 78.51 Favored 'General case' 0 CA--C 1.501 -0.931 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.972 177.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.492 ' O ' ' HB2' ' B' ' 21' ' ' LYS . . . -58.03 -51.69 68.63 Favored 'General case' 0 N--CA 1.434 -1.262 0 C-N-CA 118.42 -1.312 . . . . 0.0 109.577 -178.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.478 ' CD2' ' HG ' ' B' ' 36' ' ' LEU . 25.2 m-70 -79.02 -53.42 7.04 Favored 'General case' 0 C--O 1.241 0.623 0 N-CA-C 114.606 1.336 . . . . 0.0 114.606 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.462 ' OG ' ' O ' ' B' ' 25' ' ' LYS . 26.0 t -57.82 -39.99 78.91 Favored 'General case' 0 C--O 1.232 0.182 0 C-N-CA 118.713 -1.195 . . . . 0.0 108.535 -179.395 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.25 -43.55 88.61 Favored Glycine 0 C--N 1.341 0.807 0 CA-C-N 115.23 -0.895 . . . . 0.0 111.557 178.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.492 ' HB2' ' O ' ' B' ' 17' ' ' ALA . 5.9 ttpm? -59.5 -42.25 91.73 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.232 -0.587 . . . . 0.0 112.352 -179.01 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -128.76 148.94 50.89 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 113.968 1.099 . . . . 0.0 113.968 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.23 -133.72 50.97 Favored Glycine 0 CA--C 1.524 0.635 0 CA-C-N 115.02 -0.991 . . . . 0.0 113.238 176.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -79.56 127.97 32.8 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 114.728 -0.736 . . . . 0.0 109.844 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.462 ' O ' ' OG ' ' B' ' 19' ' ' SER . 33.2 mtmt -57.9 -31.87 67.18 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.252 -0.886 . . . . 0.0 112.947 -177.051 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.597 ' OH ' ' CE3' ' A' ' 90' ' ' TRP . 98.9 m-85 -106.18 19.73 20.07 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 113.178 0.807 . . . . 0.0 113.178 -178.002 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.432 ' CG ' ' OE2' ' B' ' 68' ' ' GLU . 16.8 tptm -140.07 143.41 36.3 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 179.276 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 13.1 tp -116.3 130.48 56.8 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.984 -176.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 35.2 t -102.21 162.3 13.02 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 122.839 0.456 . . . . 0.0 111.112 -179.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 23.6 ttpt -52.02 -46.33 64.94 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-O 121.177 0.513 . . . . 0.0 111.185 -178.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.582 ' CG ' ' N ' ' B' ' 32' ' ' GLU . 54.6 pttt -60.49 -48.58 81.13 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.891 -178.586 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.582 ' N ' ' CG ' ' B' ' 31' ' ' LYS . 93.6 mt-10 -64.12 -52.13 60.64 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.261 -178.092 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 2.0 pp -60.41 -36.37 77.98 Favored 'General case' 0 CA--C 1.499 -1.004 0 C-N-CA 119.236 -0.986 . . . . 0.0 110.759 -179.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 10.7 tptm -55.83 -36.32 67.36 Favored 'General case' 0 N--CA 1.432 -1.338 0 C-N-CA 117.723 -1.591 . . . . 0.0 107.984 178.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -75.25 -40.46 58.93 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 112.754 0.649 . . . . 0.0 112.754 179.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.478 ' HG ' ' CD2' ' B' ' 18' ' ' HIS . 3.0 tt -65.54 -46.06 81.03 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 120.328 -0.549 . . . . 0.0 111.495 -177.364 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.581 ' O ' ' N ' ' B' ' 41' ' ' LEU . 1.2 mm? -64.44 -41.94 96.28 Favored 'General case' 0 CA--C 1.52 -0.184 0 C-N-CA 118.881 -1.127 . . . . 0.0 110.762 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -64.05 -39.75 94.78 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 120.381 -0.528 . . . . 0.0 111.972 179.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 70.1 p -71.09 -38.49 72.41 Favored 'General case' 0 N--CA 1.461 0.099 0 C-N-CA 119.979 -0.688 . . . . 0.0 111.585 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.416 ' O ' ' OG ' ' A' ' 2' ' ' SER . 79.2 mm-40 -91.14 -50.75 5.67 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.689 -0.404 . . . . 0.0 112.008 179.723 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.581 ' N ' ' O ' ' B' ' 37' ' ' LEU . 29.3 mt -107.31 143.14 36.0 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.321 0.581 . . . . 0.0 111.617 -179.175 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.15 -66.47 1.08 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.193 178.805 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.34 -37.86 92.54 Favored Glycine 0 CA--C 1.533 1.179 0 CA-C-N 115.721 -0.672 . . . . 0.0 113.828 -179.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -60.01 -52.63 64.57 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 118.086 0.943 . . . . 0.0 112.199 -178.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -74.2 -40.99 62.11 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 120.307 -0.557 . . . . 0.0 111.088 178.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -61.26 -33.6 73.79 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.634 -0.712 . . . . 0.0 112.056 -179.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.57 -32.86 69.32 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -177.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.423 ' C ' ' H ' ' B' ' 50' ' ' ASP . 94.8 mm-40 -60.76 -33.79 73.48 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.143 -0.623 . . . . 0.0 109.85 -179.682 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 37.6 tttp 71.14 -35.73 0.34 Allowed 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.482 -0.781 . . . . 0.0 112.191 179.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . 0.423 ' H ' ' C ' ' B' ' 48' ' ' GLN . 88.4 m-20 -70.28 142.64 52.25 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.218 -0.593 . . . . 0.0 111.177 -179.545 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 4.7 m -72.63 -30.13 32.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.861 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -86.6 5.3 36.39 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.23 0.538 . . . . 0.0 110.084 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.59 -38.84 72.56 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.835 -178.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.508 ' CG1' ' N ' ' B' ' 55' ' ' ASP . 7.2 p -60.21 -43.78 94.04 Favored 'Isoleucine or valine' 0 C--O 1.242 0.704 0 C-N-CA 119.783 -0.767 . . . . 0.0 110.173 179.211 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.508 ' N ' ' CG1' ' B' ' 54' ' ' VAL . 91.7 m-20 -61.49 -43.27 99.16 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.043 179.379 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -62.62 -37.57 86.79 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.101 -0.64 . . . . 0.0 109.757 178.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 68.2 t -64.16 -45.77 95.44 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 CA-C-N 115.738 -0.665 . . . . 0.0 112.745 -178.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' MET . . . . . 0.496 ' CE ' ' O ' ' B' ' 67' ' ' GLY . 2.2 ptp -66.57 -33.68 76.2 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 118.821 -1.152 . . . . 0.0 113.162 -178.751 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 35.7 mmtt -59.28 -42.01 90.25 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 119.357 -0.937 . . . . 0.0 112.047 -178.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -66.19 -41.42 90.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.486 0.66 . . . . 0.0 110.887 179.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.44 ' O ' ' CD ' ' B' ' 73' ' ' GLU . 78.4 mt -68.8 -32.2 71.75 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.869 -1.06 . . . . 0.0 112.701 -179.328 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.604 ' OD2' ' N ' ' B' ' 66' ' ' ASP . 50.8 t0 -74.24 94.11 2.44 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 113.087 0.773 . . . . 0.0 113.087 -175.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 78.7 tt0 -65.76 -46.9 77.07 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-O 122.645 1.212 . . . . 0.0 110.505 175.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 31.5 m120 -59.38 -35.33 73.71 Favored 'General case' 0 C--N 1.305 -1.361 0 CA-C-N 112.513 -2.13 . . . . 0.0 112.298 -178.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.451 ' C ' ' OD2' ' B' ' 62' ' ' ASP . . . 86.08 14.9 65.91 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 108.975 -1.65 . . . . 0.0 108.975 -177.683 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.604 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 27.0 p-10 -87.61 6.45 34.5 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 115.151 -0.524 . . . . 0.0 112.358 -179.088 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.498 ' N ' ' OD2' ' B' ' 62' ' ' ASP . . . 64.82 -2.51 2.6 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.091 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.496 ' H ' ' C ' ' B' ' 66' ' ' ASP . 82.5 tt0 -112.79 144.28 42.6 Favored 'General case' 0 C--O 1.24 0.566 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 46.1 t -102.4 133.0 47.29 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.717 0 C-N-CA 120.622 -0.431 . . . . 0.0 111.22 -176.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.493 ' C ' ' OD1' ' B' ' 70' ' ' ASP . 39.5 p30 -100.16 171.61 7.7 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 121.251 0.548 . . . . 0.0 110.353 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -54.49 -45.49 73.26 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.7 -178.494 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -61.86 -41.2 97.55 Favored 'General case' 0 C--O 1.244 0.8 0 C-N-CA 120.084 -0.646 . . . . 0.0 112.099 -179.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.44 ' CD ' ' O ' ' B' ' 61' ' ' LEU . 96.7 mt-10 -64.88 -41.55 95.54 Favored 'General case' 0 C--O 1.242 0.697 0 CA-C-O 122.092 0.949 . . . . 0.0 109.864 179.226 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -63.45 -41.27 98.65 Favored 'General case' 0 C--O 1.242 0.694 0 CA-C-O 122.219 1.009 . . . . 0.0 110.265 178.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -60.18 -47.64 91.29 Favored 'Isoleucine or valine' 0 C--O 1.249 1.037 0 CA-C-N 113.858 -1.519 . . . . 0.0 110.047 -179.055 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 13.4 m -67.75 -34.42 67.59 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 C-N-CA 117.835 -1.546 . . . . 0.0 109.29 178.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 32.5 tp -56.68 -50.76 71.18 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 118.62 -1.232 . . . . 0.0 111.638 178.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.426 ' O ' ' OG1' ' B' ' 82' ' ' THR . 35.2 m -68.5 -36.54 75.17 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 C-N-CA 118.359 -1.336 . . . . 0.0 111.746 -179.009 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.49 -48.23 64.99 Favored 'General case' 0 C--O 1.251 1.169 0 C-N-CA 119.092 -1.043 . . . . 0.0 111.914 -179.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . 0.4 ' O ' HG11 ' B' ' 83' ' ' VAL . . . -62.81 -39.81 95.42 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.597 -0.728 . . . . 0.0 109.042 179.591 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 9.2 mp -65.24 -35.3 80.61 Favored 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 119.272 -0.971 . . . . 0.0 109.963 176.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 35.6 m -62.31 -50.57 71.13 Favored 'General case' 0 C--O 1.249 1.045 0 C-N-CA 119.634 -0.826 . . . . 0.0 111.343 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.4 HG11 ' O ' ' B' ' 80' ' ' ALA . 13.6 p -63.58 -38.23 81.69 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 C-N-CA 119.188 -1.005 . . . . 0.0 110.536 178.646 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.46 -31.34 72.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.273 178.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 4.8 t -69.97 -55.05 10.62 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.87 -179.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 53.9 t-20 -56.84 -40.82 76.76 Favored 'General case' 0 C--O 1.241 0.646 0 C-N-CA 117.923 -1.511 . . . . 0.0 109.007 179.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . 0.605 ' ND2' ' OE1' ' B' ' 91' ' ' GLU . 8.4 t-20 -60.54 -37.73 82.17 Favored 'General case' 0 C--O 1.201 -1.464 0 N-CA-C 107.75 -1.204 . . . . 0.0 107.75 178.251 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.514 ' O ' ' O ' ' B' ' 91' ' ' GLU . 67.3 t80 -60.17 -41.7 93.41 Favored 'General case' 0 C--N 1.313 -0.985 0 C-N-CA 118.783 -1.167 . . . . 0.0 109.49 179.441 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -65.87 -59.66 3.64 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 112.897 0.703 . . . . 0.0 112.897 -178.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.602 ' CE3' ' OH ' ' A' ' 26' ' ' TYR . 20.3 t-105 -69.47 -46.19 67.26 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-O 121.774 0.797 . . . . 0.0 111.601 179.651 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.605 ' OE1' ' ND2' ' B' ' 87' ' ' ASN . 36.4 mt-10 -95.05 145.63 24.83 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 114.151 -1.386 . . . . 0.0 111.184 179.274 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -102.03 121.88 43.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.566 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 47.5 t . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.97 -1.015 . . . . 0.0 110.547 179.958 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 201' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.666 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.493 ' OG ' ' O ' ' B' ' 40' ' ' GLU . 92.5 p -126.28 157.27 38.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.7 0.286 . . . . 0.0 110.255 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -61.37 -38.42 86.94 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -179.021 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.3 tt -63.65 -41.98 98.15 Favored 'General case' 0 C--O 1.24 0.556 0 C-N-CA 119.299 -0.96 . . . . 0.0 108.681 -179.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.445 ' C ' ' OE1' ' A' ' 5' ' ' GLU . 6.1 tm-20 -63.87 -40.0 95.52 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 114.698 -1.137 . . . . 0.0 109.267 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 44.5 m -60.27 -40.44 90.38 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.305 178.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.43 -44.13 95.43 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.04 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 98.8 mtp -59.34 -40.69 87.2 Favored 'General case' 0 C--O 1.248 1.007 0 CA-C-O 121.732 0.777 . . . . 0.0 109.288 178.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -64.82 -35.91 82.63 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.048 177.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 50.9 m -64.22 -43.21 95.66 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 119.779 -0.769 . . . . 0.0 110.167 179.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 38.0 mt -62.04 -42.65 99.4 Favored 'General case' 0 C--O 1.243 0.714 0 C-N-CA 119.243 -0.983 . . . . 0.0 109.058 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.404 HG21 HD12 ' A' ' 12' ' ' ILE . 97.8 mt -61.99 -45.93 97.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.428 178.596 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -61.98 -41.18 97.74 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 -178.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.8 m -73.31 -41.33 57.61 Favored 'Isoleucine or valine' 0 C--O 1.255 1.355 0 C-N-CA 119.2 -1.0 . . . . 0.0 111.398 -179.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -59.94 -47.5 85.52 Favored 'General case' 0 CA--C 1.512 -0.487 0 C-N-CA 118.962 -1.095 . . . . 0.0 109.768 177.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -63.31 -35.46 80.43 Favored 'General case' 0 CA--C 1.503 -0.857 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.86 178.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.495 ' O ' ' HB2' ' A' ' 21' ' ' LYS . . . -57.2 -51.57 68.8 Favored 'General case' 0 N--CA 1.436 -1.142 0 C-N-CA 118.962 -1.095 . . . . 0.0 109.602 -178.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.462 ' ND1' ' HG ' ' A' ' 36' ' ' LEU . 46.2 m80 -79.22 -52.3 8.33 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 114.754 1.39 . . . . 0.0 114.754 -179.759 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' A' ' 24' ' ' ASP . 23.1 t -58.34 -40.95 83.51 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 118.864 -1.135 . . . . 0.0 109.184 -179.069 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -71.81 -43.95 49.07 Favored Glycine 0 C--N 1.344 0.979 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.433 178.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.495 ' HB2' ' O ' ' A' ' 17' ' ' ALA . 6.8 ttpm? -58.78 -44.26 90.64 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 120.046 -0.661 . . . . 0.0 112.069 -179.68 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.526 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 84.7 tt0 -135.86 140.47 44.18 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.369 -0.532 . . . . 0.0 111.128 -179.571 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.88 -162.92 52.13 Favored Glycine 0 CA--C 1.521 0.416 0 C-N-CA 120.799 -0.715 . . . . 0.0 111.341 178.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.4 ' O ' ' OG ' ' A' ' 19' ' ' SER . 88.3 m-20 -67.4 141.79 56.93 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 178.643 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.2 mtmt -60.56 -32.22 71.29 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.075 -0.511 . . . . 0.0 112.201 -177.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.6 ' OH ' ' CD2' ' B' ' 90' ' ' TRP . 96.9 m-85 -107.23 19.13 20.78 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 -177.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.3 tptt -137.84 138.15 38.85 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 118.956 -1.098 . . . . 0.0 108.988 178.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.0 tp -113.66 126.28 55.08 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 -178.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 87.3 p -98.24 167.63 10.74 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.74 -0.209 . . . . 0.0 110.975 -179.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.8 ttpt -53.27 -49.28 67.25 Favored 'General case' 0 C--O 1.241 0.645 0 CA-C-O 121.121 0.486 . . . . 0.0 112.263 -178.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.545 ' HG3' ' N ' ' A' ' 32' ' ' GLU . 23.9 pttm -61.48 -48.01 83.06 Favored 'General case' 0 N--CA 1.441 -0.896 0 C-N-CA 120.053 -0.659 . . . . 0.0 110.372 -178.794 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.545 ' N ' ' HG3' ' A' ' 31' ' ' LYS . 94.4 mt-10 -62.69 -49.8 73.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.808 -0.633 . . . . 0.0 112.06 -178.644 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 pp -61.11 -36.68 80.37 Favored 'General case' 0 CA--C 1.499 -1.001 0 C-N-CA 118.673 -1.211 . . . . 0.0 110.095 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.746 ' NZ ' HE21 ' A' ' 38' ' ' GLN . 15.6 tptp -56.0 -36.41 67.89 Favored 'General case' 0 N--CA 1.434 -1.226 0 C-N-CA 118.058 -1.457 . . . . 0.0 108.073 178.389 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.462 ' O ' ' CG2' ' A' ' 39' ' ' THR . 97.4 mt-10 -73.84 -40.04 63.59 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 112.697 0.628 . . . . 0.0 112.697 179.205 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.462 ' HG ' ' ND1' ' A' ' 18' ' ' HIS . 3.8 tt -65.9 -45.36 82.24 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 119.849 -0.74 . . . . 0.0 111.325 -177.268 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.569 ' O ' ' O ' ' A' ' 41' ' ' LEU . 1.2 mm? -64.48 -43.13 95.15 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 118.76 -1.176 . . . . 0.0 110.937 179.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.746 HE21 ' NZ ' ' A' ' 34' ' ' LYS . 97.8 mt-30 -63.48 -39.32 94.15 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.349 -0.54 . . . . 0.0 111.592 179.461 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.462 ' CG2' ' O ' ' A' ' 35' ' ' GLU . 66.3 p -71.84 -33.08 68.16 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.726 -0.39 . . . . 0.0 111.558 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.497 ' O ' ' OG ' ' B' ' 2' ' ' SER . 76.4 mm-40 -101.65 -60.01 1.6 Allowed 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 -178.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.569 ' O ' ' O ' ' A' ' 37' ' ' LEU . 53.2 mt -99.56 140.73 33.33 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.258 0.552 . . . . 0.0 111.71 -178.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -110.72 -60.95 1.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.708 179.52 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.8 -39.52 93.88 Favored Glycine 0 CA--C 1.532 1.107 0 CA-C-N 115.823 -0.626 . . . . 0.0 114.397 -177.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -61.54 -52.27 65.16 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 118.124 0.962 . . . . 0.0 112.534 -177.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -73.04 -38.92 66.35 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.292 -0.563 . . . . 0.0 111.55 178.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 57.0 t0 -60.46 -30.73 69.85 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.554 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.55 -29.74 62.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 112.098 -177.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 90.4 mm-40 -91.41 117.89 30.07 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 119.503 -0.879 . . . . 0.0 110.038 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -63.49 -36.28 83.25 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 -179.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -69.89 142.31 53.02 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -177.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.3 m -73.93 -26.93 21.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.223 178.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -79.75 1.51 26.39 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.18 -0.918 . . . . 0.0 109.612 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.95 -36.72 70.6 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.832 -179.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.529 ' CG1' ' N ' ' A' ' 55' ' ' ASP . 7.7 p -59.75 -44.07 93.02 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 C-N-CA 119.965 -0.694 . . . . 0.0 109.877 178.672 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.529 ' N ' ' CG1' ' A' ' 54' ' ' VAL . 90.6 m-20 -61.45 -42.3 98.55 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.443 179.133 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 69.2 mttm -60.81 -38.73 86.4 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.003 179.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 78.2 t -65.11 -44.69 95.56 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.341 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.537 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -69.99 -32.92 71.36 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 114.457 1.28 . . . . 0.0 114.457 -178.642 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 17.0 mtmm -58.41 -41.17 84.36 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 119.714 -0.794 . . . . 0.0 113.064 -177.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -72.35 -35.09 68.45 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 119.657 -0.817 . . . . 0.0 110.501 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.468 ' O ' ' CD ' ' A' ' 73' ' ' GLU . 93.0 mt -67.42 -35.08 78.54 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-N 115.78 -0.645 . . . . 0.0 112.567 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.502 ' OD1' ' OD1' ' A' ' 66' ' ' ASP . 47.3 t0 -73.19 90.72 1.6 Allowed 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 118.406 -1.317 . . . . 0.0 111.368 -177.516 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -65.31 -47.52 76.27 Favored 'General case' 0 CA--C 1.509 -0.598 0 CA-C-O 122.676 1.226 . . . . 0.0 111.476 176.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 31.8 m120 -59.61 -34.74 73.15 Favored 'General case' 0 C--N 1.3 -1.564 0 CA-C-N 112.53 -2.123 . . . . 0.0 112.999 -178.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 89.19 3.88 75.19 Favored Glycine 0 CA--C 1.529 0.922 0 N-CA-C 107.994 -2.042 . . . . 0.0 107.994 -176.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.638 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 50.1 p30 -61.79 -31.98 72.23 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 113.858 -1.171 . . . . 0.0 112.967 -179.687 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.638 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 99.35 -4.52 58.48 Favored Glycine 0 CA--C 1.521 0.438 0 N-CA-C 109.026 -1.63 . . . . 0.0 109.026 -178.175 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.515 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 55.8 mp0 -112.85 154.84 25.67 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-N 114.493 -0.853 . . . . 0.0 110.908 178.096 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 46.8 t -106.83 131.2 57.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 177.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.501 ' C ' ' OD1' ' A' ' 70' ' ' ASP . 24.8 p30 -101.54 171.23 7.69 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 119.842 -0.743 . . . . 0.0 110.565 -178.685 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -53.48 -44.92 69.37 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.094 -178.508 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -62.1 -40.94 97.55 Favored 'General case' 0 C--O 1.241 0.637 0 C-N-CA 120.379 -0.528 . . . . 0.0 112.203 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.468 ' CD ' ' O ' ' A' ' 61' ' ' LEU . 92.4 mt-10 -65.04 -41.44 95.21 Favored 'General case' 0 C--O 1.241 0.611 0 CA-C-O 122.2 1.0 . . . . 0.0 109.658 179.538 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.406 ' CZ ' HD12 ' A' ' 36' ' ' LEU . 59.6 t80 -63.51 -41.45 98.51 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-N 114.68 -1.145 . . . . 0.0 109.985 178.322 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -60.31 -47.79 90.88 Favored 'Isoleucine or valine' 0 C--O 1.247 0.925 0 CA-C-N 113.813 -1.54 . . . . 0.0 110.236 -178.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 13.4 m -68.15 -34.07 64.44 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 C-N-CA 118.021 -1.472 . . . . 0.0 109.229 178.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 23.9 tp -57.16 -51.09 70.7 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 118.819 -1.152 . . . . 0.0 111.391 178.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.491 ' O ' ' OG1' ' A' ' 82' ' ' THR . 34.3 m -68.79 -36.44 74.27 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 C-N-CA 118.6 -1.24 . . . . 0.0 111.781 -179.272 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.47 -49.21 61.45 Favored 'General case' 0 C--O 1.251 1.136 0 C-N-CA 119.113 -1.035 . . . . 0.0 111.882 -179.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.01 -38.95 93.23 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 179.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.409 HD11 ' N ' ' A' ' 81' ' ' LEU . 10.3 mp -65.57 -34.36 78.07 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 119.152 -1.019 . . . . 0.0 109.713 176.671 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.491 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 34.5 m -62.68 -50.56 70.68 Favored 'General case' 0 C--O 1.247 0.934 0 C-N-CA 119.9 -0.72 . . . . 0.0 111.127 179.738 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.4 p -64.06 -39.8 86.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 119.14 -1.024 . . . . 0.0 110.986 179.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.91 -30.17 70.72 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 121.044 0.45 . . . . 0.0 110.064 178.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 24.3 t -68.48 -55.41 11.86 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.821 -179.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 53.9 t-20 -56.96 -40.61 76.8 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 118.375 -1.33 . . . . 0.0 108.765 179.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -59.07 -38.49 79.57 Favored 'General case' 0 CA--C 1.522 -0.124 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.792 178.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.546 ' O ' ' O ' ' A' ' 91' ' ' GLU . 67.7 t80 -63.89 -45.87 87.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.312 179.678 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -64.42 -51.65 62.08 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.402 -0.519 . . . . 0.0 111.857 -178.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.591 ' CD2' ' OH ' ' B' ' 26' ' ' TYR . 22.2 t-105 -65.59 -39.81 92.02 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-O 121.216 0.531 . . . . 0.0 112.113 179.504 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.571 ' OE1' ' N ' ' A' ' 92' ' ' ASN . 3.7 tm-20 -104.3 140.53 37.74 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.835 -176.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.571 ' N ' ' OE1' ' A' ' 91' ' ' GLU . 24.0 m120 -105.1 137.78 42.32 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.513 179.753 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.1 t . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.546 -179.952 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.729 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.497 ' OG ' ' O ' ' A' ' 40' ' ' GLU . 91.7 p -126.18 157.33 38.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.621 0.248 . . . . 0.0 110.349 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.49 -38.45 87.35 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 112.408 0.522 . . . . 0.0 112.408 -178.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 5.3 tt -63.57 -42.04 98.35 Favored 'General case' 0 C--O 1.24 0.575 0 C-N-CA 119.388 -0.925 . . . . 0.0 108.714 -179.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.454 ' OE1' ' C ' ' B' ' 5' ' ' GLU . 6.1 tm-20 -63.85 -39.96 95.46 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 114.654 -1.157 . . . . 0.0 109.23 179.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 45.7 m -60.51 -40.14 90.33 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.284 178.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.68 -44.09 94.75 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.063 179.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 98.7 mtp -59.25 -40.83 87.21 Favored 'General case' 0 C--O 1.248 0.978 0 CA-C-O 121.713 0.768 . . . . 0.0 109.33 178.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -64.79 -36.46 84.38 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.272 -0.876 . . . . 0.0 109.981 178.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 48.3 m -63.49 -43.5 97.09 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 119.814 -0.754 . . . . 0.0 110.347 179.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 43.1 mt -62.03 -42.55 99.3 Favored 'General case' 0 C--O 1.242 0.661 0 C-N-CA 119.3 -0.96 . . . . 0.0 109.074 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.9 mt -61.92 -45.97 97.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.395 -0.821 . . . . 0.0 111.424 178.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -62.0 -41.27 97.87 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 -178.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 14.9 m -73.22 -41.37 58.19 Favored 'Isoleucine or valine' 0 C--O 1.256 1.423 0 C-N-CA 119.144 -1.023 . . . . 0.0 111.419 -179.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -59.9 -47.49 85.56 Favored 'General case' 0 CA--C 1.512 -0.488 0 C-N-CA 118.929 -1.108 . . . . 0.0 109.867 177.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -63.19 -35.54 80.65 Favored 'General case' 0 CA--C 1.503 -0.846 0 CA-C-N 115.241 -0.89 . . . . 0.0 109.798 178.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.503 ' O ' ' HB2' ' B' ' 21' ' ' LYS . . . -57.27 -51.47 69.23 Favored 'General case' 0 N--CA 1.437 -1.118 0 C-N-CA 118.875 -1.13 . . . . 0.0 109.641 -178.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.464 ' ND1' ' HG ' ' B' ' 36' ' ' LEU . 46.0 m80 -79.07 -52.51 8.11 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 114.737 1.384 . . . . 0.0 114.737 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.411 ' OG ' ' O ' ' B' ' 25' ' ' LYS . 23.1 t -58.23 -41.05 83.26 Favored 'General case' 0 C--N 1.34 0.169 0 C-N-CA 118.827 -1.149 . . . . 0.0 109.276 -179.072 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -71.7 -44.04 49.82 Favored Glycine 0 C--N 1.344 0.977 0 CA-C-N 115.497 -0.774 . . . . 0.0 112.461 178.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.503 ' HB2' ' O ' ' B' ' 17' ' ' ALA . 6.8 ttpm? -58.79 -44.2 90.65 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 120.015 -0.674 . . . . 0.0 112.086 -179.654 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.529 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 84.7 tt0 -135.84 140.57 44.29 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.279 -0.568 . . . . 0.0 111.086 -179.579 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.83 -162.9 52.17 Favored Glycine 0 CA--C 1.521 0.428 0 C-N-CA 120.823 -0.703 . . . . 0.0 111.399 178.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -67.39 141.74 56.96 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 178.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.411 ' O ' ' OG ' ' B' ' 19' ' ' SER . 32.3 mtmt -60.58 -32.18 71.29 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.105 -0.498 . . . . 0.0 112.194 -177.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.591 ' OH ' ' CD2' ' A' ' 90' ' ' TRP . 96.9 m-85 -107.22 19.18 20.72 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 -177.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 28.5 tptt -137.85 138.11 38.8 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 118.943 -1.103 . . . . 0.0 109.032 178.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 14.0 tp -113.55 126.28 55.12 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 -178.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 87.2 p -98.29 167.59 10.76 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.507 0.194 . . . . 0.0 110.898 -179.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 24.8 ttpt -53.21 -49.29 67.05 Favored 'General case' 0 C--O 1.241 0.632 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -178.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.536 ' HG3' ' N ' ' B' ' 32' ' ' GLU . 23.7 pttm -61.55 -48.03 82.86 Favored 'General case' 0 N--CA 1.441 -0.878 0 C-N-CA 120.102 -0.639 . . . . 0.0 110.262 -178.697 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.536 ' N ' ' HG3' ' B' ' 31' ' ' LYS . 94.4 mt-10 -62.64 -49.8 73.73 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.165 -0.614 . . . . 0.0 111.985 -178.628 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 pp -61.19 -36.64 80.42 Favored 'General case' 0 CA--C 1.499 -0.983 0 C-N-CA 118.673 -1.211 . . . . 0.0 110.066 -179.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.739 ' NZ ' HE21 ' B' ' 38' ' ' GLN . 15.6 tptp -56.02 -36.33 67.84 Favored 'General case' 0 N--CA 1.435 -1.196 0 C-N-CA 118.083 -1.447 . . . . 0.0 108.074 178.421 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.469 ' O ' ' CG2' ' B' ' 39' ' ' THR . 97.4 mt-10 -73.96 -39.95 63.38 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 179.177 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.464 ' HG ' ' ND1' ' B' ' 18' ' ' HIS . 3.9 tt -65.87 -45.38 82.31 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 119.809 -0.756 . . . . 0.0 111.314 -177.308 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.563 ' O ' ' O ' ' B' ' 41' ' ' LEU . 1.2 mm? -64.53 -43.07 95.17 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 118.682 -1.207 . . . . 0.0 110.942 179.758 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.739 HE21 ' NZ ' ' B' ' 34' ' ' LYS . 97.7 mt-30 -63.46 -39.23 93.9 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 120.316 -0.554 . . . . 0.0 111.678 179.432 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.469 ' CG2' ' O ' ' B' ' 35' ' ' GLU . 67.7 p -71.91 -33.09 68.02 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.686 -0.405 . . . . 0.0 111.574 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.493 ' O ' ' OG ' ' A' ' 2' ' ' SER . 76.6 mm-40 -101.65 -59.99 1.61 Allowed 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 -178.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.563 ' O ' ' O ' ' B' ' 37' ' ' LEU . 53.3 mt -99.55 140.78 33.24 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.317 0.58 . . . . 0.0 111.798 -178.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -110.82 -60.95 1.75 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.679 179.614 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.86 -39.45 93.93 Favored Glycine 0 CA--C 1.531 1.04 0 CA-C-N 115.886 -0.597 . . . . 0.0 114.426 -177.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -61.57 -52.23 65.28 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 118.16 0.98 . . . . 0.0 112.539 -178.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -73.06 -38.88 66.3 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.321 -0.552 . . . . 0.0 111.544 178.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -60.54 -30.73 69.94 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.587 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.46 -29.83 62.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.061 -0.518 . . . . 0.0 112.137 -177.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -91.38 118.04 30.19 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 119.453 -0.899 . . . . 0.0 110.023 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -63.59 -36.25 83.19 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 113.796 1.035 . . . . 0.0 113.796 -179.052 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -69.86 142.31 53.07 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -177.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 4.4 m -73.94 -26.88 21.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.228 178.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -79.82 1.52 26.57 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.531 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.95 -36.74 70.63 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.9 -179.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.526 ' CG1' ' N ' ' B' ' 55' ' ' ASP . 7.8 p -59.7 -43.96 92.58 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 C-N-CA 119.873 -0.731 . . . . 0.0 109.96 178.625 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.526 ' N ' ' CG1' ' B' ' 54' ' ' VAL . 90.7 m-20 -61.57 -42.25 98.57 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.479 179.138 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -60.85 -38.64 86.21 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.028 179.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 77.9 t -65.17 -44.71 95.33 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.319 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.514 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -69.96 -32.94 71.44 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 -178.639 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 17.0 mtmm -58.49 -41.13 84.61 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 119.768 -0.773 . . . . 0.0 113.026 -177.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -72.35 -35.09 68.44 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 119.616 -0.834 . . . . 0.0 110.493 179.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.465 ' O ' ' CD ' ' B' ' 73' ' ' GLU . 92.8 mt -67.38 -35.12 78.69 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.602 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.509 ' OD1' ' OD1' ' B' ' 66' ' ' ASP . 47.1 t0 -73.09 90.64 1.55 Allowed 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 118.412 -1.315 . . . . 0.0 111.393 -177.531 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -65.37 -47.47 76.3 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 122.59 1.186 . . . . 0.0 111.415 176.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 31.8 m120 -59.65 -34.68 73.13 Favored 'General case' 0 C--N 1.3 -1.587 0 CA-C-N 112.565 -2.107 . . . . 0.0 113.036 -178.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 89.25 3.73 75.22 Favored Glycine 0 CA--C 1.528 0.896 0 N-CA-C 108.003 -2.039 . . . . 0.0 108.003 -176.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.65 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 50.1 p30 -61.74 -31.96 72.17 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 113.85 -1.175 . . . . 0.0 113.041 -179.673 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.65 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 99.51 -4.71 58.32 Favored Glycine 0 CA--C 1.521 0.442 0 N-CA-C 109.004 -1.638 . . . . 0.0 109.004 -178.189 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.489 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 55.8 mp0 -112.86 154.72 25.87 Favored 'General case' 0 C--O 1.241 0.613 0 CA-C-N 114.531 -0.835 . . . . 0.0 110.965 178.208 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 46.6 t -106.69 131.19 57.16 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 177.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.494 ' C ' ' OD1' ' B' ' 70' ' ' ASP . 25.5 p30 -101.34 171.21 7.73 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 119.836 -0.746 . . . . 0.0 110.601 -178.732 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -53.6 -44.77 69.69 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.09 -178.597 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -62.13 -41.05 97.88 Favored 'General case' 0 C--O 1.242 0.669 0 C-N-CA 120.401 -0.52 . . . . 0.0 112.235 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.465 ' CD ' ' O ' ' B' ' 61' ' ' LEU . 92.4 mt-10 -64.95 -41.45 95.49 Favored 'General case' 0 C--O 1.24 0.565 0 CA-C-O 122.253 1.025 . . . . 0.0 109.671 179.529 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 59.7 t80 -63.49 -41.41 98.55 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-N 114.666 -1.152 . . . . 0.0 110.015 178.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -60.31 -47.84 90.7 Favored 'Isoleucine or valine' 0 C--O 1.247 0.931 0 CA-C-N 113.766 -1.561 . . . . 0.0 110.245 -178.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 13.1 m -68.04 -34.17 65.33 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 C-N-CA 118.024 -1.47 . . . . 0.0 109.273 178.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 23.8 tp -57.08 -51.14 70.47 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 118.793 -1.163 . . . . 0.0 111.456 178.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.484 ' O ' ' OG1' ' B' ' 82' ' ' THR . 34.3 m -68.77 -36.37 73.99 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 C-N-CA 118.557 -1.257 . . . . 0.0 111.822 -179.306 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.44 -49.24 61.36 Favored 'General case' 0 C--O 1.251 1.144 0 C-N-CA 119.121 -1.032 . . . . 0.0 111.935 -179.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.01 -38.85 92.83 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.418 ' N ' HD11 ' B' ' 81' ' ' LEU . 10.2 mp -65.59 -34.5 78.39 Favored 'General case' 0 C--O 1.217 -0.655 0 C-N-CA 119.154 -1.018 . . . . 0.0 109.67 176.643 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.484 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 34.2 m -62.59 -50.53 70.91 Favored 'General case' 0 C--O 1.246 0.896 0 C-N-CA 119.872 -0.731 . . . . 0.0 111.075 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 13.2 p -64.11 -39.7 86.43 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 119.135 -1.026 . . . . 0.0 111.029 179.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.95 -30.18 70.71 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.062 178.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 24.0 t -68.43 -55.47 11.78 Favored 'General case' 0 CA--C 1.509 -0.608 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.836 -179.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 53.9 t-20 -56.96 -40.62 76.8 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 118.362 -1.335 . . . . 0.0 108.725 179.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -59.18 -38.29 79.43 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.805 178.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.545 ' O ' ' O ' ' B' ' 91' ' ' GLU . 67.8 t80 -63.93 -45.91 87.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.289 179.6 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -64.39 -51.75 61.66 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.416 -0.514 . . . . 0.0 111.773 -178.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.6 ' CD2' ' OH ' ' A' ' 26' ' ' TYR . 21.9 t-105 -65.61 -39.68 91.78 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-O 121.181 0.515 . . . . 0.0 112.142 179.572 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.568 ' OE1' ' N ' ' B' ' 92' ' ' ASN . 3.7 tm-20 -104.31 140.44 37.88 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.86 -176.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . 0.568 ' N ' ' OE1' ' B' ' 91' ' ' GLU . 24.0 m120 -105.02 137.72 42.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.482 179.732 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 8.3 t . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 118.052 -0.975 . . . . 0.0 110.642 -179.978 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 201' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.572 ' O ' ' OE1' ' B' ' 40' ' ' GLU . . . . . . . . 0 CA--C 1.525 0.674 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.8 p -84.46 11.83 7.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.893 0.378 . . . . 0.0 110.937 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 78.1 tt0 -50.14 -33.22 18.19 Favored 'General case' 0 C--O 1.245 0.843 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.847 -176.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.3 tt -54.55 -41.2 69.5 Favored 'General case' 0 C--O 1.242 0.683 0 N-CA-C 107.713 -1.217 . . . . 0.0 107.713 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.412 ' OE2' ' CD2' ' B' ' 41' ' ' LEU . 71.7 mm-40 -64.38 -35.72 81.82 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.349 177.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 43.6 m -58.24 -42.1 85.62 Favored 'General case' 0 C--O 1.238 0.481 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 178.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.18 -44.22 92.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.576 178.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 99.2 mtp -59.38 -41.19 88.76 Favored 'General case' 0 C--O 1.249 1.078 0 CA-C-O 121.816 0.817 . . . . 0.0 109.621 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -64.76 -35.55 81.45 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-N 115.133 -0.94 . . . . 0.0 109.459 177.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 55.3 m -63.34 -43.44 97.72 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 119.2 -1.0 . . . . 0.0 110.39 179.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 38.2 mt -61.03 -42.56 98.71 Favored 'General case' 0 C--O 1.241 0.632 0 C-N-CA 119.101 -1.04 . . . . 0.0 108.459 -179.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.9 mt -61.12 -45.55 98.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.261 178.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -62.49 -41.52 98.86 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 113.237 0.828 . . . . 0.0 113.237 -178.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.4 m -73.54 -41.99 55.91 Favored 'Isoleucine or valine' 0 C--O 1.26 1.618 0 C-N-CA 119.195 -1.002 . . . . 0.0 110.822 -179.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -60.63 -46.59 89.71 Favored 'General case' 0 CA--C 1.509 -0.613 0 C-N-CA 119.39 -0.924 . . . . 0.0 109.381 177.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -62.04 -36.42 81.56 Favored 'General case' 0 CA--C 1.503 -0.853 0 CA-C-N 114.997 -1.001 . . . . 0.0 109.756 178.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.51 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . -57.39 -51.27 70.08 Favored 'General case' 0 N--CA 1.435 -1.206 0 C-N-CA 119.065 -1.054 . . . . 0.0 109.598 -178.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.433 ' ND1' ' HG ' ' A' ' 36' ' ' LEU . 30.4 m80 -79.27 -52.58 7.94 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 114.809 1.411 . . . . 0.0 114.809 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.518 ' HG ' ' C ' ' A' ' 25' ' ' LYS . 20.0 t -58.31 -40.19 81.39 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 119.319 -0.952 . . . . 0.0 109.498 -178.733 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.17 -44.96 27.28 Favored Glycine 0 C--N 1.345 1.07 0 CA-C-N 115.847 -0.615 . . . . 0.0 112.468 178.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.51 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 6.7 ttpm? -58.18 -44.07 87.83 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 120.183 -0.607 . . . . 0.0 111.802 -179.64 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.532 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 84.7 tt0 -133.33 137.06 45.76 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.204 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.57 -164.16 53.97 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 178.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.513 ' O ' ' OG ' ' A' ' 19' ' ' SER . 88.3 m-20 -70.08 142.97 52.57 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 178.62 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.518 ' C ' ' HG ' ' A' ' 19' ' ' SER . 51.0 mttm -60.54 -32.95 71.98 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.82 0.819 . . . . 0.0 110.344 -178.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.602 ' OH ' ' CD2' ' B' ' 90' ' ' TRP . 97.9 m-85 -102.71 15.9 27.99 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 114.666 -1.152 . . . . 0.0 112.939 -175.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.595 ' NZ ' ' OD2' ' A' ' 66' ' ' ASP . 5.1 tptt -140.8 138.39 34.03 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 118.948 -1.101 . . . . 0.0 109.39 178.745 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.3 tp -113.43 129.55 56.52 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 -178.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.4 t -102.11 159.59 15.25 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.662 -0.245 . . . . 0.0 110.456 -179.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.9 ttpt -52.35 -46.78 66.27 Favored 'General case' 0 C--O 1.239 0.541 0 C-N-CA 120.439 -0.504 . . . . 0.0 111.231 -178.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.556 ' CG ' ' N ' ' A' ' 32' ' ' GLU . 21.7 pttm -60.36 -48.25 82.55 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.116 -178.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.556 ' N ' ' CG ' ' A' ' 31' ' ' LYS . 94.7 mt-10 -62.97 -48.48 78.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.031 -178.653 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 pp -62.25 -34.3 76.26 Favored 'General case' 0 CA--C 1.497 -1.082 0 C-N-CA 118.699 -1.2 . . . . 0.0 110.368 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.705 ' NZ ' HE22 ' A' ' 38' ' ' GLN . 0.8 OUTLIER -54.92 -36.67 65.5 Favored 'General case' 0 N--CA 1.435 -1.211 0 C-N-CA 117.743 -1.583 . . . . 0.0 107.583 178.25 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.46 ' O ' ' CG2' ' A' ' 39' ' ' THR . 97.2 mt-10 -75.62 -41.31 54.66 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 178.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.433 ' HG ' ' ND1' ' A' ' 18' ' ' HIS . 2.4 tt -66.19 -46.77 76.13 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 120.097 -0.641 . . . . 0.0 111.879 -176.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.583 ' CD2' ' N ' ' A' ' 37' ' ' LEU . 1.2 mm? -65.01 -41.75 95.06 Favored 'General case' 0 CA--C 1.52 -0.206 0 C-N-CA 118.611 -1.235 . . . . 0.0 110.872 -179.657 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.705 HE22 ' NZ ' ' A' ' 34' ' ' LYS . 95.8 mt-30 -64.34 -39.78 94.56 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.418 -0.513 . . . . 0.0 111.924 179.425 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.46 ' CG2' ' O ' ' A' ' 35' ' ' GLU . 63.9 p -70.97 -39.24 72.64 Favored 'General case' 0 C--N 1.334 -0.105 0 C-N-CA 120.215 -0.594 . . . . 0.0 111.568 -179.659 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.566 ' OE1' ' O ' ' B' ' 1' ' ' GLY . 80.1 mm-40 -90.87 -48.98 6.69 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.69 -0.404 . . . . 0.0 111.908 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.572 ' N ' ' O ' ' A' ' 37' ' ' LEU . 26.3 mt -107.62 142.5 37.47 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.24 0.543 . . . . 0.0 111.377 -179.403 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.7 t -115.87 -65.86 1.14 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.329 178.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.85 -38.03 91.64 Favored Glycine 0 CA--C 1.532 1.104 0 CA-C-N 115.73 -0.668 . . . . 0.0 113.712 -179.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -60.77 -53.41 57.69 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 117.954 0.877 . . . . 0.0 112.132 -178.043 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -74.24 -39.71 62.87 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 120.36 -0.536 . . . . 0.0 111.068 178.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -61.34 -30.03 70.26 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.503 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.83 -29.29 59.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.118 -0.492 . . . . 0.0 112.012 -177.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -90.08 118.96 30.02 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 119.467 -0.893 . . . . 0.0 109.687 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.1 tttp -62.72 -39.69 94.86 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 -178.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -70.36 142.41 52.13 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 -177.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.6 m -73.01 -27.62 24.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 178.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -72.54 -6.27 42.75 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 114.887 -1.051 . . . . 0.0 109.391 179.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.44 -37.75 68.11 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.198 -178.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.498 ' CG1' ' N ' ' A' ' 55' ' ' ASP . 9.9 p -59.95 -42.99 91.3 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 C-N-CA 119.609 -0.836 . . . . 0.0 109.888 178.285 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.498 ' N ' ' CG1' ' A' ' 54' ' ' VAL . 88.3 m-20 -61.52 -42.36 98.69 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.652 179.485 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 53.4 mttp -60.95 -39.16 88.44 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.254 -0.578 . . . . 0.0 110.237 179.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 75.0 t -66.15 -45.09 91.15 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.499 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.418 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -70.72 -35.86 72.93 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 114.506 1.299 . . . . 0.0 114.506 -178.142 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.7 mmtm -60.47 -40.44 91.23 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 119.852 -0.739 . . . . 0.0 112.94 -179.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -71.24 -35.76 71.55 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 119.425 -0.91 . . . . 0.0 110.435 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 63' ' ' GLU . 97.6 mt -67.16 -36.14 81.19 Favored 'General case' 0 CA--C 1.509 -0.616 0 CA-C-N 116.001 -0.545 . . . . 0.0 112.028 179.447 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -71.51 71.39 0.68 Allowed 'General case' 0 N--CA 1.444 -0.74 0 C-N-CA 118.312 -1.355 . . . . 0.0 110.634 -178.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 61' ' ' LEU . 86.8 tt0 -62.71 -36.99 84.77 Favored 'General case' 0 CA--C 1.497 -1.07 0 N-CA-C 107.15 -1.426 . . . . 0.0 107.15 175.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.481 ' OD1' ' OD2' ' A' ' 66' ' ' ASP . 17.7 t-20 -57.31 -39.6 76.15 Favored 'General case' 0 N--CA 1.429 -1.488 0 CA-C-N 111.582 -2.553 . . . . 0.0 111.275 178.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.07 18.49 71.99 Favored Glycine 0 CA--C 1.529 0.935 0 C-N-CA 121.314 -0.47 . . . . 0.0 112.781 178.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.595 ' OD2' ' NZ ' ' A' ' 27' ' ' LYS . 53.8 p30 -88.79 2.02 54.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 117.41 0.605 . . . . 0.0 112.328 -179.716 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 86.46 -2.48 87.41 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.519 -1.033 . . . . 0.0 110.519 178.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.509 ' OE1' ' O ' ' A' ' 66' ' ' ASP . 55.9 mp0 -122.09 161.14 23.61 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 115.38 -0.41 . . . . 0.0 110.398 179.594 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 47.9 t -101.82 130.26 51.8 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 N-CA-C 106.326 -1.731 . . . . 0.0 106.326 176.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.524 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 49.6 t0 -99.94 161.88 13.34 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.233 0.54 . . . . 0.0 111.823 -177.133 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.524 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 1.0 OUTLIER -50.36 -44.66 54.7 Favored 'General case' 0 C--O 1.217 -0.654 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.695 -178.451 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -61.98 -40.37 95.38 Favored 'General case' 0 C--O 1.244 0.814 0 C-N-CA 119.731 -0.788 . . . . 0.0 110.741 178.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -64.15 -42.97 96.55 Favored 'General case' 0 C--O 1.244 0.798 0 CA-C-O 122.53 1.157 . . . . 0.0 109.733 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.414 ' CE1' HD13 ' A' ' 36' ' ' LEU . 64.5 t80 -63.34 -41.02 98.85 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 114.232 -1.349 . . . . 0.0 110.256 178.592 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -59.91 -47.72 90.51 Favored 'Isoleucine or valine' 0 C--O 1.247 0.972 0 CA-C-N 113.771 -1.559 . . . . 0.0 109.661 -178.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 17.1 m -67.13 -34.71 71.34 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.587 0 C-N-CA 117.794 -1.563 . . . . 0.0 109.466 178.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 25.7 tp -57.59 -50.25 73.73 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 118.826 -1.15 . . . . 0.0 111.866 178.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.466 ' O ' ' OG1' ' A' ' 82' ' ' THR . 35.1 m -69.02 -36.0 71.69 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.254 0 C-N-CA 118.658 -1.217 . . . . 0.0 111.587 -179.223 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.48 -48.03 65.54 Favored 'General case' 0 C--O 1.248 0.996 0 C-N-CA 118.996 -1.082 . . . . 0.0 111.691 -179.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.26 -39.79 95.57 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.13 179.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.412 ' N ' HD12 ' A' ' 81' ' ' LEU . 10.3 mp -65.27 -34.77 79.13 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 119.425 -0.91 . . . . 0.0 109.909 176.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.466 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 35.9 m -63.47 -50.3 70.26 Favored 'General case' 0 C--O 1.245 0.852 0 C-N-CA 119.845 -0.742 . . . . 0.0 111.454 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.459 ' O ' ' OD1' ' A' ' 87' ' ' ASN . 13.7 p -63.74 -38.93 83.59 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 C-N-CA 119.042 -1.063 . . . . 0.0 110.524 178.742 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.51 -30.62 71.4 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.832 178.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 38.7 t -67.57 -54.31 20.94 Favored 'General case' 0 CA--C 1.51 -0.588 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.43 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -55.9 -41.07 73.96 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 118.635 -1.226 . . . . 0.0 108.563 178.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.459 ' OD1' ' O ' ' A' ' 83' ' ' VAL . 25.1 m120 -59.22 -38.24 79.46 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.768 178.18 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -63.42 -46.97 83.89 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.936 179.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -62.87 -49.6 74.23 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -178.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.602 ' CD2' ' OH ' ' B' ' 26' ' ' TYR . 11.0 t-105 -71.75 -51.1 24.47 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-O 121.296 0.569 . . . . 0.0 112.421 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.447 ' C ' ' OE1' ' A' ' 91' ' ' GLU . 7.9 tm-20 -63.86 -32.89 74.56 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 115.229 -0.896 . . . . 0.0 112.135 -177.495 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 -100.23 120.21 39.55 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.397 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 117.952 -1.023 . . . . 0.0 110.597 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . 0.566 ' O ' ' OE1' ' A' ' 40' ' ' GLU . . . . . . . . 0 C--O 1.221 -0.698 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 34.1 p -84.51 11.85 7.98 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 122.567 0.347 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -50.21 -33.17 18.54 Favored 'General case' 0 C--O 1.246 0.901 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.791 -176.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 6.3 tt -54.54 -41.23 69.49 Favored 'General case' 0 C--O 1.243 0.718 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.402 ' OE2' ' CD2' ' A' ' 41' ' ' LEU . 71.5 mm-40 -64.41 -35.67 81.67 Favored 'General case' 0 CA--C 1.512 -0.501 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.426 177.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 42.7 m -58.28 -41.9 85.36 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 178.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.36 -44.14 92.36 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.573 178.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 99.2 mtp -59.45 -41.17 89.05 Favored 'General case' 0 C--O 1.25 1.107 0 CA-C-O 121.77 0.795 . . . . 0.0 109.642 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -64.69 -36.2 83.52 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.372 177.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 54.0 m -62.56 -43.77 97.99 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 119.329 -0.948 . . . . 0.0 110.438 178.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 42.4 mt -60.99 -42.41 98.33 Favored 'General case' 0 C--O 1.241 0.608 0 C-N-CA 119.07 -1.052 . . . . 0.0 108.545 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.442 HG21 HD12 ' B' ' 12' ' ' ILE . 97.8 mt -61.27 -45.51 98.46 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.131 178.5 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -62.46 -41.54 98.83 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -178.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 14.5 m -73.66 -41.85 55.07 Favored 'Isoleucine or valine' 0 C--O 1.26 1.617 0 C-N-CA 119.17 -1.012 . . . . 0.0 110.793 -179.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -60.68 -46.63 89.63 Favored 'General case' 0 CA--C 1.508 -0.636 0 C-N-CA 119.348 -0.941 . . . . 0.0 109.414 177.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -61.94 -36.4 81.27 Favored 'General case' 0 CA--C 1.502 -0.878 0 CA-C-N 114.988 -1.005 . . . . 0.0 109.847 178.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.513 ' O ' ' CB ' ' B' ' 21' ' ' LYS . . . -57.37 -51.32 69.86 Favored 'General case' 0 N--CA 1.435 -1.185 0 C-N-CA 119.104 -1.038 . . . . 0.0 109.609 -179.063 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.443 ' ND1' ' HG ' ' B' ' 36' ' ' LEU . 30.3 m80 -79.19 -52.61 7.93 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 114.794 1.405 . . . . 0.0 114.794 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.525 ' HG ' ' C ' ' B' ' 25' ' ' LYS . 20.0 t -58.37 -40.26 81.79 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 119.457 -0.897 . . . . 0.0 109.444 -178.701 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.15 -44.95 27.41 Favored Glycine 0 C--N 1.345 1.053 0 CA-C-N 115.826 -0.625 . . . . 0.0 112.432 178.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.513 ' CB ' ' O ' ' B' ' 17' ' ' ALA . 6.7 ttpm? -58.22 -44.05 88.02 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 120.161 -0.616 . . . . 0.0 111.783 -179.567 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.543 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 84.7 tt0 -133.31 137.14 45.84 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.503 -0.479 . . . . 0.0 110.172 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.49 -164.13 54.03 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 178.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.518 ' O ' ' OG ' ' B' ' 19' ' ' SER . 88.6 m-20 -70.14 142.94 52.47 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 178.7 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.525 ' C ' ' HG ' ' B' ' 19' ' ' SER . 51.0 mttm -60.51 -32.97 71.96 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.682 0.753 . . . . 0.0 110.275 -178.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.602 ' OH ' ' CD2' ' A' ' 90' ' ' TRP . 97.8 m-85 -102.62 15.9 27.94 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 114.704 -1.135 . . . . 0.0 112.954 -175.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.604 ' NZ ' ' OD2' ' B' ' 66' ' ' ASP . 5.0 tptt -140.75 138.44 34.16 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 118.909 -1.117 . . . . 0.0 109.483 178.758 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 15.3 tp -113.55 129.43 56.56 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 -178.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 24.2 t -102.06 159.59 15.24 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.495 -179.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 23.0 ttpt -52.33 -46.72 66.17 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-O 121.205 0.526 . . . . 0.0 111.319 -178.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.543 ' CG ' ' N ' ' B' ' 32' ' ' GLU . 21.7 pttm -60.53 -48.1 83.27 Favored 'General case' 0 N--CA 1.44 -0.975 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.018 -178.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.543 ' N ' ' CG ' ' B' ' 31' ' ' LYS . 94.7 mt-10 -63.07 -48.52 78.3 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.963 -178.63 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 pp -62.2 -34.32 76.24 Favored 'General case' 0 CA--C 1.498 -1.051 0 C-N-CA 118.755 -1.178 . . . . 0.0 110.398 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.711 ' NZ ' HE22 ' B' ' 38' ' ' GLN . 0.8 OUTLIER -54.93 -36.68 65.53 Favored 'General case' 0 N--CA 1.435 -1.19 0 C-N-CA 117.729 -1.588 . . . . 0.0 107.574 178.249 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.449 ' O ' ' CG2' ' B' ' 39' ' ' THR . 97.3 mt-10 -75.59 -41.31 54.88 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 178.755 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.443 ' HG ' ' ND1' ' B' ' 18' ' ' HIS . 2.5 tt -66.19 -46.79 76.08 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 120.155 -0.618 . . . . 0.0 111.901 -176.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.584 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 1.1 mm? -64.91 -41.82 95.26 Favored 'General case' 0 CA--C 1.52 -0.211 0 C-N-CA 118.74 -1.184 . . . . 0.0 110.891 -179.727 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.711 HE22 ' NZ ' ' B' ' 34' ' ' LYS . 95.8 mt-30 -64.4 -39.79 94.53 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.405 -0.518 . . . . 0.0 111.85 179.485 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.449 ' CG2' ' O ' ' B' ' 35' ' ' GLU . 63.0 p -70.95 -39.26 72.7 Favored 'General case' 0 C--O 1.232 0.158 0 C-N-CA 120.21 -0.596 . . . . 0.0 111.594 -179.63 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.572 ' OE1' ' O ' ' A' ' 1' ' ' GLY . 80.1 mm-40 -90.84 -49.04 6.66 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.752 -0.379 . . . . 0.0 111.938 179.723 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.567 ' N ' ' O ' ' B' ' 37' ' ' LEU . 26.3 mt -107.47 142.51 37.23 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.17 0.509 . . . . 0.0 111.409 -179.448 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 6.7 t -115.96 -65.8 1.15 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.268 178.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.87 -38.01 91.73 Favored Glycine 0 CA--C 1.531 1.066 0 CA-C-N 115.84 -0.618 . . . . 0.0 113.71 -179.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -60.74 -53.52 56.34 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 117.991 0.895 . . . . 0.0 112.145 -178.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -74.06 -39.83 63.22 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 120.427 -0.509 . . . . 0.0 111.121 178.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -61.23 -30.05 70.21 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.609 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.83 -29.25 59.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.041 -0.527 . . . . 0.0 112.052 -177.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 90.4 mm-40 -90.2 119.0 30.15 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 119.488 -0.885 . . . . 0.0 109.725 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 37.1 tttp -62.77 -39.6 94.69 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 -178.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -70.38 142.42 52.1 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -177.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 4.6 m -73.01 -27.63 24.98 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 178.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -72.56 -6.18 42.22 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 114.889 -1.05 . . . . 0.0 109.378 179.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.43 -37.76 68.1 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.137 -178.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.498 ' CG1' ' N ' ' B' ' 55' ' ' ASP . 9.9 p -59.97 -43.0 91.44 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 C-N-CA 119.573 -0.851 . . . . 0.0 109.827 178.354 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.498 ' N ' ' CG1' ' B' ' 54' ' ' VAL . 88.3 m-20 -61.5 -42.32 98.62 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.67 179.561 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 53.5 mttp -60.93 -39.21 88.55 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.248 -0.581 . . . . 0.0 110.265 179.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 75.1 t -66.08 -45.19 91.16 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.488 0 CA-C-N 115.87 -0.605 . . . . 0.0 112.422 -179.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -70.67 -35.84 73.04 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 114.517 1.303 . . . . 0.0 114.517 -178.132 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 28.7 mmtm -60.55 -40.43 91.55 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 119.777 -0.769 . . . . 0.0 112.965 -179.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -71.22 -35.7 71.6 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 119.412 -0.915 . . . . 0.0 110.475 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' B' ' 63' ' ' GLU . 97.7 mt -67.2 -36.15 81.13 Favored 'General case' 0 CA--C 1.509 -0.635 0 CA-C-N 116.044 -0.525 . . . . 0.0 112.069 179.407 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -71.48 71.38 0.67 Allowed 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 118.312 -1.355 . . . . 0.0 110.56 -178.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' B' ' 61' ' ' LEU . 86.8 tt0 -62.62 -37.21 85.4 Favored 'General case' 0 CA--C 1.498 -1.026 0 N-CA-C 107.078 -1.453 . . . . 0.0 107.078 175.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.482 ' OD1' ' OD2' ' B' ' 66' ' ' ASP . 17.7 t-20 -57.21 -39.53 75.63 Favored 'General case' 0 N--CA 1.429 -1.484 0 CA-C-N 111.515 -2.584 . . . . 0.0 111.388 178.797 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.06 18.4 72.23 Favored Glycine 0 CA--C 1.529 0.958 0 C-N-CA 121.391 -0.433 . . . . 0.0 112.808 177.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.604 ' OD2' ' NZ ' ' B' ' 27' ' ' LYS . 54.2 p30 -88.6 1.94 54.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 117.373 0.586 . . . . 0.0 112.309 -179.742 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 86.47 -2.58 87.41 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.538 -1.025 . . . . 0.0 110.538 179.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.514 ' OE1' ' O ' ' B' ' 66' ' ' ASP . 55.9 mp0 -122.08 161.18 23.53 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 115.371 -0.414 . . . . 0.0 110.381 179.608 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 48.0 t -101.83 130.29 51.75 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 N-CA-C 106.337 -1.727 . . . . 0.0 106.337 176.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.542 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 49.0 t0 -99.83 161.82 13.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.267 0.556 . . . . 0.0 111.809 -177.058 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.542 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 1.0 OUTLIER -50.48 -44.62 55.85 Favored 'General case' 0 C--O 1.217 -0.64 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.598 -178.509 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -61.9 -40.33 95.06 Favored 'General case' 0 C--O 1.246 0.901 0 C-N-CA 119.733 -0.787 . . . . 0.0 110.799 178.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -64.24 -43.07 96.03 Favored 'General case' 0 C--O 1.243 0.746 0 CA-C-O 122.518 1.151 . . . . 0.0 109.614 -179.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . 0.41 ' CE1' HD13 ' B' ' 36' ' ' LEU . 64.3 t80 -63.17 -41.11 99.18 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.281 -1.327 . . . . 0.0 110.252 178.581 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -59.97 -47.66 90.83 Favored 'Isoleucine or valine' 0 C--O 1.248 0.978 0 CA-C-N 113.805 -1.543 . . . . 0.0 109.663 -178.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 17.2 m -67.23 -34.62 70.4 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.584 0 C-N-CA 117.722 -1.591 . . . . 0.0 109.473 178.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 25.7 tp -57.56 -50.36 73.36 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 118.886 -1.125 . . . . 0.0 111.791 178.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.463 ' O ' ' OG1' ' B' ' 82' ' ' THR . 34.9 m -68.88 -36.14 72.68 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 C-N-CA 118.78 -1.168 . . . . 0.0 111.596 -179.225 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.4 -48.03 65.74 Favored 'General case' 0 C--O 1.25 1.084 0 C-N-CA 118.965 -1.094 . . . . 0.0 111.814 -179.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.23 -39.8 95.63 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.65 -0.704 . . . . 0.0 109.163 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.425 ' N ' HD12 ' B' ' 81' ' ' LEU . 10.2 mp -65.3 -34.81 79.22 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 119.509 -0.877 . . . . 0.0 109.881 176.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.463 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 36.8 m -63.43 -50.3 70.32 Favored 'General case' 0 C--O 1.246 0.908 0 C-N-CA 119.803 -0.759 . . . . 0.0 111.39 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.467 ' O ' ' OD1' ' B' ' 87' ' ' ASN . 13.8 p -63.7 -38.96 83.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 C-N-CA 119.057 -1.057 . . . . 0.0 110.535 178.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.45 -30.66 71.47 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.82 178.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 38.6 t -67.53 -54.47 19.72 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.384 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -55.82 -41.03 73.6 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 118.63 -1.228 . . . . 0.0 108.651 178.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . 0.467 ' OD1' ' O ' ' B' ' 83' ' ' VAL . 25.1 m120 -59.19 -38.33 79.59 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.816 178.141 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -63.39 -47.0 83.86 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.888 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -62.85 -49.6 74.25 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -178.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.602 ' CD2' ' OH ' ' A' ' 26' ' ' TYR . 10.9 t-105 -71.84 -50.99 24.65 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-O 121.24 0.543 . . . . 0.0 112.388 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.45 ' OE1' ' C ' ' B' ' 91' ' ' GLU . 7.9 tm-20 -63.91 -32.87 74.55 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 115.284 -0.871 . . . . 0.0 112.197 -177.579 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 46.2 t-20 -100.23 120.21 39.56 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.369 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.549 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 201' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.639 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.4 m -62.88 154.99 28.38 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 55.7 mp0 -61.76 -37.38 84.09 Favored 'General case' 0 C--O 1.241 0.636 0 C-N-CA 120.67 -0.412 . . . . 0.0 111.838 -179.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.7 tt -60.24 -40.12 89.13 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 107.583 -1.265 . . . . 0.0 107.583 -179.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.47 -37.43 87.49 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.002 178.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.1 m -59.12 -41.91 89.32 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 179.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.61 -45.07 88.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.549 179.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 99.2 mtp -59.65 -41.3 90.22 Favored 'General case' 0 C--O 1.248 0.991 0 CA-C-O 121.584 0.707 . . . . 0.0 109.733 179.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.84 -35.74 82.09 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.839 177.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 41.5 m -63.77 -43.23 97.01 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 119.523 -0.871 . . . . 0.0 110.145 179.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 37.4 mt -61.57 -42.53 98.98 Favored 'General case' 0 C--O 1.242 0.702 0 C-N-CA 119.295 -0.962 . . . . 0.0 108.821 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 99.5 mt -61.81 -46.78 95.78 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 C-N-CA 119.509 -0.876 . . . . 0.0 110.85 178.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -61.91 -40.78 96.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.885 -179.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.0 m -72.9 -39.78 59.06 Favored 'Isoleucine or valine' 0 C--O 1.246 0.888 0 C-N-CA 118.726 -1.19 . . . . 0.0 111.067 -179.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -60.88 -48.17 83.03 Favored 'General case' 0 C--N 1.345 0.374 0 C-N-CA 118.577 -1.249 . . . . 0.0 110.163 177.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -63.06 -36.0 82.11 Favored 'General case' 0 CA--C 1.504 -0.817 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.052 178.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.54 ' O ' ' HB2' ' A' ' 21' ' ' LYS . . . -55.37 -50.57 69.35 Favored 'General case' 0 CA--C 1.492 -1.27 0 C-N-CA 118.781 -1.168 . . . . 0.0 108.623 -179.213 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.671 ' NE2' ' O ' ' A' ' 32' ' ' GLU . 13.4 t-80 -76.81 -55.54 5.39 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 116.256 1.947 . . . . 0.0 116.256 -177.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.43 ' OG ' ' O ' ' A' ' 25' ' ' LYS . 23.0 t -58.79 -41.21 86.15 Favored 'General case' 0 CA--C 1.509 -0.608 0 N-CA-C 107.88 -1.156 . . . . 0.0 107.88 -179.046 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.55 -43.41 94.64 Favored Glycine 0 C--N 1.349 1.258 0 O-C-N 124.642 1.214 . . . . 0.0 111.182 177.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.54 ' HB2' ' O ' ' A' ' 17' ' ' ALA . 5.4 ttpm? -60.08 -44.13 95.01 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 -178.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -131.97 141.84 49.42 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 113.709 1.004 . . . . 0.0 113.709 -177.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 63.83 -131.47 40.12 Favored Glycine 0 CA--C 1.524 0.603 0 CA-C-N 115.093 -0.958 . . . . 0.0 112.992 177.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -79.41 125.16 29.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.066 -0.567 . . . . 0.0 110.251 -179.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.43 ' O ' ' OG ' ' A' ' 19' ' ' SER . 35.3 mtmt -58.53 -32.46 68.88 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.38 -0.827 . . . . 0.0 112.914 -177.512 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.607 ' OH ' ' CH2' ' B' ' 90' ' ' TRP . 97.3 m-85 -107.85 19.71 19.72 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 -178.034 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.418 ' NZ ' ' OD2' ' A' ' 66' ' ' ASP . 34.6 tptt -143.23 145.56 32.87 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 119.154 -1.018 . . . . 0.0 109.447 179.231 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.581 HD12 ' HD1' ' A' ' 18' ' ' HIS . 5.7 tp -112.29 128.95 56.42 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 119.977 -0.689 . . . . 0.0 109.996 -177.593 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.8 t -103.66 156.9 17.44 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.4 ttpm? -53.75 -47.17 70.92 Favored 'General case' 0 C--O 1.244 0.789 0 CA-C-O 121.43 0.633 . . . . 0.0 111.948 -177.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.599 ' CG ' ' N ' ' A' ' 32' ' ' GLU . 55.1 pttt -59.41 -47.57 84.95 Favored 'General case' 0 N--CA 1.44 -0.939 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.367 -178.668 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.671 ' O ' ' NE2' ' A' ' 18' ' ' HIS . 94.8 mt-10 -62.7 -48.83 77.57 Favored 'General case' 0 C--O 1.244 0.8 0 CA-C-N 115.035 -0.984 . . . . 0.0 112.158 -178.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.8 pp -62.25 -33.47 74.67 Favored 'General case' 0 CA--C 1.499 -1.015 0 C-N-CA 118.462 -1.295 . . . . 0.0 110.424 -179.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.706 ' HZ3' ' NE2' ' A' ' 38' ' ' GLN . 1.1 tptp -53.54 -36.93 62.35 Favored 'General case' 0 N--CA 1.439 -1.025 0 C-N-CA 117.458 -1.697 . . . . 0.0 107.718 177.433 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.413 ' O ' ' CG2' ' A' ' 39' ' ' THR . 97.0 mt-10 -74.63 -42.84 57.87 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 178.697 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.488 ' HB2' ' CG ' ' A' ' 18' ' ' HIS . 3.3 tt -63.21 -45.66 90.63 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 118.599 -1.24 . . . . 0.0 111.057 -177.642 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.588 ' O ' ' O ' ' A' ' 41' ' ' LEU . 1.3 mm? -61.71 -43.54 98.66 Favored 'General case' 0 CA--C 1.515 -0.401 0 C-N-CA 118.694 -1.202 . . . . 0.0 110.997 -179.024 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.706 ' NE2' ' HZ3' ' A' ' 34' ' ' LYS . 96.0 mt-30 -62.89 -37.65 87.77 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.16 -0.616 . . . . 0.0 111.088 178.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.413 ' CG2' ' O ' ' A' ' 35' ' ' GLU . 72.6 p -71.02 -34.03 70.93 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 120.648 -0.421 . . . . 0.0 112.032 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -102.51 -59.0 1.77 Allowed 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 113.048 0.758 . . . . 0.0 113.048 -179.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.588 ' O ' ' O ' ' A' ' 37' ' ' LEU . 31.3 mt -98.29 142.53 29.83 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.358 0.599 . . . . 0.0 111.163 -178.702 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.549 ' OG ' ' N ' ' A' ' 43' ' ' GLY . 83.0 p -110.8 -77.02 0.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.146 179.78 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.549 ' N ' ' OG ' ' A' ' 42' ' ' SER . . . -56.63 -35.73 68.4 Favored Glycine 0 CA--C 1.53 1.028 0 CA-C-N 115.691 -0.686 . . . . 0.0 113.899 -178.413 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -61.25 -59.09 5.84 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 118.144 0.972 . . . . 0.0 112.731 -177.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.96 -39.47 69.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.544 0.688 . . . . 0.0 109.789 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.437 ' CB ' ' O ' ' A' ' 42' ' ' SER . 59.2 t0 -62.45 -27.13 68.9 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.923 179.067 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.21 -26.54 18.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.203 -0.453 . . . . 0.0 112.028 -176.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 91.5 mm-40 -85.72 117.34 24.54 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 119.334 -0.946 . . . . 0.0 109.765 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -63.01 -35.81 81.47 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 113.715 1.005 . . . . 0.0 113.715 -179.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -69.36 142.33 54.0 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 -177.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.3 m -74.04 -27.72 22.63 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.123 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.67 178.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -80.7 2.79 24.5 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 115.333 -0.849 . . . . 0.0 109.325 179.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.93 -37.61 71.73 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.197 -0.91 . . . . 0.0 109.741 -179.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.468 ' CG1' ' N ' ' A' ' 55' ' ' ASP . 10.6 p -60.85 -42.86 94.13 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 C-N-CA 119.718 -0.793 . . . . 0.0 110.293 178.557 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.468 ' N ' ' CG1' ' A' ' 54' ' ' VAL . 87.0 m-20 -60.41 -44.31 95.86 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 120.009 -0.676 . . . . 0.0 109.189 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 69.3 mttm -63.8 -39.43 94.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.473 179.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 67.9 t -65.41 -46.87 88.87 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.206 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 -177.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.7 ppp? -67.0 -34.22 77.28 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 113.693 0.997 . . . . 0.0 113.693 -178.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 36.3 mmtt -60.51 -40.45 91.49 Favored 'General case' 0 N--CA 1.465 0.275 0 C-N-CA 119.27 -0.972 . . . . 0.0 111.07 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -64.56 -40.45 95.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.211 0.529 . . . . 0.0 110.804 179.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 63' ' ' GLU . 79.6 mt -68.31 -34.68 76.57 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.379 -0.828 . . . . 0.0 112.399 -179.325 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -69.94 72.01 0.39 Allowed 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 118.525 -1.27 . . . . 0.0 110.288 -178.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 61' ' ' LEU . 87.6 tt0 -63.78 -38.4 90.96 Favored 'General case' 0 CA--C 1.498 -1.034 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 176.211 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.46 ' OD1' ' CG ' ' A' ' 66' ' ' ASP . 18.8 t-20 -58.21 -39.79 79.96 Favored 'General case' 0 C--N 1.304 -1.389 0 CA-C-N 111.618 -2.537 . . . . 0.0 111.371 178.431 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.8 18.6 69.87 Favored Glycine 0 CA--C 1.53 1.028 0 C-N-CA 121.452 -0.404 . . . . 0.0 112.949 178.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.501 ' O ' ' OE1' ' A' ' 68' ' ' GLU . 57.0 p30 -89.4 2.48 54.39 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 117.646 0.723 . . . . 0.0 112.489 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 88.71 -4.28 85.01 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.582 -1.007 . . . . 0.0 110.582 178.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.501 ' OE1' ' O ' ' A' ' 66' ' ' ASP . 53.9 mp0 -122.62 160.06 26.54 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.239 0.543 . . . . 0.0 110.868 179.594 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 74.5 t -104.14 129.68 56.02 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.632 0 N-CA-C 106.621 -1.622 . . . . 0.0 106.621 176.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.499 ' C ' ' OD1' ' A' ' 70' ' ' ASP . 21.6 p30 -103.44 173.32 6.36 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 120.031 -0.668 . . . . 0.0 111.155 -177.157 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -53.78 -45.66 70.74 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.156 -179.112 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -62.23 -40.81 97.37 Favored 'General case' 0 C--O 1.243 0.757 0 C-N-CA 120.248 -0.581 . . . . 0.0 111.682 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.442 ' OE1' ' O ' ' A' ' 61' ' ' LEU . 72.1 mt-10 -64.64 -42.01 95.75 Favored 'General case' 0 C--O 1.242 0.697 0 CA-C-O 122.329 1.062 . . . . 0.0 109.525 179.61 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.409 ' CE1' HD11 ' A' ' 36' ' ' LEU . 68.8 t80 -63.08 -41.3 99.38 Favored 'General case' 0 C--O 1.241 0.613 0 CA-C-N 114.404 -1.271 . . . . 0.0 110.169 178.537 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -60.64 -47.59 92.3 Favored 'Isoleucine or valine' 0 C--O 1.246 0.902 0 CA-C-N 113.652 -1.613 . . . . 0.0 110.086 -178.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 15.5 m -67.28 -35.21 73.25 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.512 0 C-N-CA 117.848 -1.541 . . . . 0.0 109.314 178.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 28.8 tp -56.2 -51.56 67.62 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 118.965 -1.094 . . . . 0.0 111.727 178.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.5 ' O ' ' OG1' ' A' ' 82' ' ' THR . 33.9 m -68.9 -35.89 71.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 C-N-CA 118.487 -1.285 . . . . 0.0 111.894 -178.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.45 -48.65 63.99 Favored 'General case' 0 C--O 1.249 1.051 0 C-N-CA 119.028 -1.069 . . . . 0.0 111.889 -179.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.14 -40.18 96.82 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.111 -0.699 . . . . 0.0 109.111 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.423 HD13 ' N ' ' A' ' 81' ' ' LEU . 10.2 mp -65.09 -34.45 78.45 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 119.354 -0.939 . . . . 0.0 109.871 176.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.5 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 37.5 m -63.33 -50.54 69.63 Favored 'General case' 0 C--O 1.248 1.0 0 C-N-CA 119.772 -0.771 . . . . 0.0 111.382 179.751 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.8 p -63.55 -39.15 84.28 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 C-N-CA 119.13 -1.028 . . . . 0.0 110.75 178.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.484 ' O ' ' CD2' ' A' ' 88' ' ' PHE . . . -65.02 -34.78 79.24 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 120.296 -0.562 . . . . 0.0 109.85 178.703 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 42.1 t -62.35 -54.75 35.91 Favored 'General case' 0 CA--C 1.506 -0.744 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.366 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.403 HD21 HG22 ' B' ' 12' ' ' ILE . 19.3 t-20 -56.38 -40.25 74.3 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 118.717 -1.193 . . . . 0.0 109.178 179.079 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -59.18 -40.61 86.19 Favored 'General case' 0 CA--C 1.527 0.079 0 C-N-CA 120.34 -0.544 . . . . 0.0 111.004 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.529 ' O ' ' O ' ' A' ' 91' ' ' GLU . 63.2 m-85 -68.19 -40.76 82.14 Favored 'General case' 0 CA--C 1.523 -0.095 0 C-N-CA 120.054 -0.658 . . . . 0.0 111.507 178.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -63.38 -53.45 52.32 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 119.729 -0.788 . . . . 0.0 111.408 -179.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.604 ' CZ3' ' OH ' ' B' ' 26' ' ' TYR . 28.9 t-105 -67.16 -40.24 86.61 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 121.011 0.434 . . . . 0.0 112.134 178.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.558 ' OE1' ' N ' ' A' ' 92' ' ' ASN . 2.9 tm-20 -101.96 139.5 37.52 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.564 -177.234 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.558 ' N ' ' OE1' ' A' ' 91' ' ' GLU . 22.9 t-20 -103.27 121.54 42.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.505 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.9 t . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.615 179.928 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.618 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 24.9 m -62.82 154.87 28.53 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 55.6 mp0 -61.78 -37.3 83.84 Favored 'General case' 0 C--O 1.241 0.651 0 C-N-CA 120.7 -0.4 . . . . 0.0 111.843 -179.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 5.7 tt -60.32 -40.07 89.3 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 -179.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.48 -37.5 87.74 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.013 178.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 44.8 m -59.06 -41.8 88.8 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.72 -45.02 88.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.503 -0.772 . . . . 0.0 110.54 179.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 99.3 mtp -59.82 -41.21 90.79 Favored 'General case' 0 C--O 1.248 1.022 0 CA-C-O 121.609 0.718 . . . . 0.0 109.706 179.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -64.87 -36.36 84.11 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.773 177.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 40.6 m -62.93 -43.51 98.59 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 119.575 -0.85 . . . . 0.0 110.314 179.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 42.9 mt -61.66 -42.34 98.78 Favored 'General case' 0 C--O 1.243 0.738 0 C-N-CA 119.316 -0.953 . . . . 0.0 108.866 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.403 HG22 HD21 ' A' ' 86' ' ' ASN . 99.5 mt -61.81 -46.86 95.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 C-N-CA 119.624 -0.83 . . . . 0.0 110.836 178.639 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -61.87 -40.78 96.56 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.918 0.71 . . . . 0.0 112.918 -179.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 13.9 m -72.9 -39.74 59.02 Favored 'Isoleucine or valine' 0 C--O 1.247 0.921 0 C-N-CA 118.746 -1.182 . . . . 0.0 111.007 -179.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -60.99 -48.14 83.21 Favored 'General case' 0 C--N 1.343 0.288 0 C-N-CA 118.506 -1.277 . . . . 0.0 110.204 177.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -62.97 -36.25 82.87 Favored 'General case' 0 CA--C 1.505 -0.782 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.066 178.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.541 ' O ' ' HB2' ' B' ' 21' ' ' LYS . . . -55.2 -50.69 68.73 Favored 'General case' 0 CA--C 1.494 -1.194 0 C-N-CA 118.822 -1.151 . . . . 0.0 108.666 -179.354 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.672 ' NE2' ' O ' ' B' ' 32' ' ' GLU . 14.0 t-80 -76.64 -55.52 5.43 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 116.166 1.913 . . . . 0.0 116.166 -177.743 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.427 ' OG ' ' O ' ' B' ' 25' ' ' LYS . 23.1 t -58.96 -41.22 86.97 Favored 'General case' 0 CA--C 1.512 -0.511 0 C-N-CA 118.91 -1.116 . . . . 0.0 107.999 -179.152 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.54 -43.44 94.61 Favored Glycine 0 C--N 1.347 1.187 0 O-C-N 124.814 1.321 . . . . 0.0 111.189 178.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.541 ' HB2' ' O ' ' B' ' 17' ' ' ALA . 5.4 ttpm? -60.05 -44.14 94.9 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 -178.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -131.88 141.87 49.51 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 -177.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 63.79 -131.49 40.26 Favored Glycine 0 CA--C 1.524 0.641 0 CA-C-N 115.148 -0.933 . . . . 0.0 112.948 177.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -79.27 125.11 29.06 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.043 -0.578 . . . . 0.0 110.272 -179.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.427 ' O ' ' OG ' ' B' ' 19' ' ' SER . 35.3 mtmt -58.56 -32.32 68.8 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.307 -0.86 . . . . 0.0 112.922 -177.589 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.604 ' OH ' ' CZ3' ' A' ' 90' ' ' TRP . 97.3 m-85 -107.96 19.7 19.69 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 -178.117 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.424 ' NZ ' ' OD2' ' B' ' 66' ' ' ASP . 34.9 tptt -143.21 145.66 32.97 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 119.064 -1.054 . . . . 0.0 109.444 179.176 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.586 HD12 ' HD1' ' B' ' 18' ' ' HIS . 5.7 tp -112.32 128.9 56.41 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 119.967 -0.693 . . . . 0.0 110.036 -177.598 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 23.5 t -103.69 156.93 17.42 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 5.3 ttpm? -53.77 -47.19 70.98 Favored 'General case' 0 C--O 1.245 0.848 0 CA-C-O 121.392 0.615 . . . . 0.0 111.912 -177.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.598 ' CG ' ' N ' ' B' ' 32' ' ' GLU . 54.8 pttt -59.42 -47.55 85.04 Favored 'General case' 0 N--CA 1.441 -0.912 0 C-N-CA 119.893 -0.723 . . . . 0.0 109.434 -178.75 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.672 ' O ' ' NE2' ' B' ' 18' ' ' HIS . 94.8 mt-10 -62.66 -48.8 77.74 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 115.042 -0.981 . . . . 0.0 112.166 -178.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.8 pp -62.23 -33.48 74.67 Favored 'General case' 0 CA--C 1.499 -1.006 0 C-N-CA 118.513 -1.275 . . . . 0.0 110.386 -179.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.71 ' HZ3' ' NE2' ' B' ' 38' ' ' GLN . 1.1 tptp -53.52 -37.0 62.38 Favored 'General case' 0 N--CA 1.439 -0.995 0 C-N-CA 117.466 -1.694 . . . . 0.0 107.636 177.524 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.404 ' O ' ' CG2' ' B' ' 39' ' ' THR . 97.1 mt-10 -74.66 -42.85 57.74 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 178.71 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.495 ' HB2' ' CG ' ' B' ' 18' ' ' HIS . 3.8 tt -62.99 -45.84 90.5 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 118.681 -1.207 . . . . 0.0 110.889 -177.549 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.586 ' O ' ' O ' ' B' ' 41' ' ' LEU . 1.3 mm? -61.74 -43.61 98.53 Favored 'General case' 0 CA--C 1.514 -0.42 0 C-N-CA 118.787 -1.165 . . . . 0.0 111.073 -178.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.71 ' NE2' ' HZ3' ' B' ' 34' ' ' LYS . 96.1 mt-30 -62.83 -37.7 87.84 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.118 -0.633 . . . . 0.0 111.031 178.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.404 ' CG2' ' O ' ' B' ' 35' ' ' GLU . 72.9 p -70.89 -34.04 71.17 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 120.648 -0.421 . . . . 0.0 112.038 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -102.59 -58.98 1.78 Allowed 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 113.032 0.752 . . . . 0.0 113.032 -179.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.586 ' O ' ' O ' ' B' ' 37' ' ' LEU . 31.4 mt -98.24 142.59 29.71 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.321 0.581 . . . . 0.0 111.133 -178.73 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.547 ' OG ' ' N ' ' B' ' 43' ' ' GLY . 82.9 p -110.89 -76.98 0.59 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.199 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . 0.547 ' N ' ' OG ' ' B' ' 42' ' ' SER . . . -56.74 -35.61 68.4 Favored Glycine 0 CA--C 1.529 0.958 0 CA-C-N 115.683 -0.69 . . . . 0.0 113.923 -178.402 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -61.28 -59.09 5.83 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 118.144 0.972 . . . . 0.0 112.649 -177.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.02 -39.49 69.14 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 121.5 0.667 . . . . 0.0 109.706 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.448 ' CB ' ' O ' ' B' ' 42' ' ' SER . 59.1 t0 -62.4 -27.14 68.88 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 114.885 -1.052 . . . . 0.0 111.945 179.078 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.21 -26.59 18.13 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.164 -0.471 . . . . 0.0 112.024 -176.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -85.7 117.4 24.56 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 119.296 -0.962 . . . . 0.0 109.717 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -62.96 -35.88 81.62 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 -179.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -69.36 142.33 53.99 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -177.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 4.4 m -74.13 -27.63 22.28 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.136 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.625 178.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -80.71 2.78 24.58 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.354 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.89 -37.51 71.48 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 115.142 -0.935 . . . . 0.0 109.848 -179.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.465 ' CG1' ' N ' ' B' ' 55' ' ' ASP . 10.5 p -60.91 -42.88 94.41 Favored 'Isoleucine or valine' 0 C--O 1.242 0.664 0 C-N-CA 119.799 -0.761 . . . . 0.0 110.31 178.485 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.465 ' N ' ' CG1' ' B' ' 54' ' ' VAL . 86.8 m-20 -60.44 -44.3 95.95 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 120.009 -0.676 . . . . 0.0 109.218 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 69.3 mttm -63.77 -39.45 94.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.487 179.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 67.6 t -65.34 -47.05 88.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 -177.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 1.6 ppp? -66.98 -34.17 77.16 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 -178.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 36.3 mmtt -60.63 -40.41 91.86 Favored 'General case' 0 N--CA 1.463 0.184 0 C-N-CA 119.281 -0.968 . . . . 0.0 111.095 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -64.59 -40.41 95.48 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.728 179.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' B' ' 63' ' ' GLU . 79.6 mt -68.29 -34.7 76.63 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.476 -0.784 . . . . 0.0 112.41 -179.325 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -69.99 72.05 0.4 Allowed 'General case' 0 N--CA 1.446 -0.647 0 C-N-CA 118.51 -1.276 . . . . 0.0 110.327 -178.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' B' ' 61' ' ' LEU . 87.6 tt0 -63.7 -38.47 91.25 Favored 'General case' 0 CA--C 1.498 -1.038 0 CA-C-O 123.104 1.431 . . . . 0.0 107.155 176.18 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.464 ' OD1' ' CG ' ' B' ' 66' ' ' ASP . 18.8 t-20 -58.21 -39.74 79.8 Favored 'General case' 0 N--CA 1.43 -1.426 0 CA-C-N 111.605 -2.543 . . . . 0.0 111.41 178.465 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.8 18.49 70.14 Favored Glycine 0 CA--C 1.531 1.056 0 C-N-CA 121.362 -0.446 . . . . 0.0 112.964 178.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.5 ' O ' ' OE1' ' B' ' 68' ' ' GLU . 57.3 p30 -89.28 2.46 54.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 117.652 0.726 . . . . 0.0 112.503 -179.704 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 88.72 -4.35 85.0 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.558 -1.017 . . . . 0.0 110.558 178.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.5 ' OE1' ' O ' ' B' ' 66' ' ' ASP . 53.9 mp0 -122.51 160.07 26.38 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-O 121.212 0.529 . . . . 0.0 110.945 179.554 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 73.8 t -104.07 129.85 55.64 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.591 0 N-CA-C 106.702 -1.592 . . . . 0.0 106.702 176.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.487 ' C ' ' OD1' ' B' ' 70' ' ' ASP . 21.1 p30 -103.76 173.14 6.43 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 120.083 -0.647 . . . . 0.0 111.274 -177.213 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -53.64 -45.59 70.24 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.205 -179.022 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -62.41 -40.72 97.43 Favored 'General case' 0 C--O 1.243 0.732 0 C-N-CA 120.164 -0.614 . . . . 0.0 111.639 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.445 ' OE1' ' O ' ' B' ' 61' ' ' LEU . 72.3 mt-10 -64.67 -41.96 95.72 Favored 'General case' 0 C--O 1.241 0.646 0 CA-C-O 122.322 1.058 . . . . 0.0 109.551 179.573 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . 0.402 ' CE1' HD11 ' B' ' 36' ' ' LEU . 68.8 t80 -63.16 -41.21 99.21 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-N 114.375 -1.284 . . . . 0.0 110.145 178.534 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -60.77 -47.53 92.78 Favored 'Isoleucine or valine' 0 C--O 1.246 0.881 0 CA-C-N 113.666 -1.606 . . . . 0.0 110.126 -178.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 15.5 m -67.34 -35.24 73.16 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 C-N-CA 117.886 -1.526 . . . . 0.0 109.244 178.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 28.3 tp -56.16 -51.52 67.7 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 118.919 -1.112 . . . . 0.0 111.772 178.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.494 ' O ' ' OG1' ' B' ' 82' ' ' THR . 33.9 m -68.93 -35.79 70.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 C-N-CA 118.396 -1.322 . . . . 0.0 111.905 -178.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.55 -48.58 63.92 Favored 'General case' 0 C--O 1.249 1.035 0 C-N-CA 119.015 -1.074 . . . . 0.0 111.872 -179.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.18 -40.09 96.53 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.411 ' N ' HD13 ' B' ' 81' ' ' LEU . 10.1 mp -65.01 -34.6 78.82 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 119.358 -0.937 . . . . 0.0 109.861 176.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.494 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 38.5 m -63.3 -50.48 69.93 Favored 'General case' 0 C--O 1.248 0.998 0 C-N-CA 119.752 -0.779 . . . . 0.0 111.342 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 13.9 p -63.58 -39.2 84.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 119.138 -1.025 . . . . 0.0 110.74 178.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . 0.484 ' O ' ' CD2' ' B' ' 88' ' ' PHE . . . -65.03 -34.73 79.13 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 120.282 -0.567 . . . . 0.0 109.793 178.71 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 42.1 t -62.37 -54.64 37.43 Favored 'General case' 0 CA--C 1.505 -0.776 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.432 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -56.48 -40.27 74.63 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 118.733 -1.187 . . . . 0.0 109.135 179.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -59.23 -40.55 86.23 Favored 'General case' 0 C--O 1.231 0.098 0 C-N-CA 120.283 -0.567 . . . . 0.0 111.033 179.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.54 ' O ' ' O ' ' B' ' 91' ' ' GLU . 63.3 m-85 -68.13 -40.81 82.37 Favored 'General case' 0 CA--C 1.523 -0.093 0 C-N-CA 120.106 -0.638 . . . . 0.0 111.478 178.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -63.42 -53.38 53.28 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 119.71 -0.796 . . . . 0.0 111.381 -178.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.607 ' CH2' ' OH ' ' A' ' 26' ' ' TYR . 28.7 t-105 -67.19 -40.27 86.51 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-O 120.987 0.422 . . . . 0.0 112.122 178.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.549 ' OE1' ' N ' ' B' ' 92' ' ' ASN . 2.9 tm-20 -101.87 139.4 37.56 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.622 -177.256 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . 0.549 ' N ' ' OE1' ' B' ' 91' ' ' GLU . 22.7 t-20 -103.18 121.53 42.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.539 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 2.9 t . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 118.065 -0.969 . . . . 0.0 110.585 179.99 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 201' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.557 ' O ' ' OE1' ' B' ' 40' ' ' GLU . . . . . . . . 0 CA--C 1.525 0.658 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.4 p -68.28 -15.38 63.55 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.668 -0.266 . . . . 0.0 111.075 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -59.85 -40.85 89.95 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 -176.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.6 tt -65.76 -42.04 91.36 Favored 'General case' 0 C--O 1.242 0.681 0 C-N-CA 118.127 -1.429 . . . . 0.0 108.061 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.443 ' C ' ' OE1' ' A' ' 5' ' ' GLU . 6.1 tm-20 -63.9 -40.05 95.59 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 114.342 -1.299 . . . . 0.0 109.277 179.52 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 43.4 m -60.23 -40.36 89.92 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.463 178.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.73 -44.76 92.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.081 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 98.4 mtp -59.52 -41.19 89.4 Favored 'General case' 0 C--O 1.248 1.019 0 CA-C-O 121.736 0.779 . . . . 0.0 109.453 179.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -64.75 -35.68 81.85 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.139 178.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 54.3 m -64.42 -43.07 95.54 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 119.744 -0.782 . . . . 0.0 110.257 179.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 36.8 mt -62.07 -42.29 99.05 Favored 'General case' 0 C--O 1.242 0.699 0 C-N-CA 119.053 -1.059 . . . . 0.0 108.734 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 98.0 mt -61.72 -45.69 98.14 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 C-N-CA 119.682 -0.807 . . . . 0.0 111.216 178.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -62.02 -41.4 98.03 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 -178.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.8 m -73.36 -41.24 57.26 Favored 'Isoleucine or valine' 0 C--O 1.256 1.414 0 C-N-CA 119.267 -0.973 . . . . 0.0 111.185 -179.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -60.39 -47.57 85.49 Favored 'General case' 0 CA--C 1.512 -0.488 0 C-N-CA 119.107 -1.037 . . . . 0.0 109.84 177.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -62.7 -35.47 79.8 Favored 'General case' 0 CA--C 1.5 -0.953 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.615 178.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.501 ' O ' ' HB2' ' A' ' 21' ' ' LYS . . . -57.4 -51.36 69.73 Favored 'General case' 0 N--CA 1.435 -1.223 0 C-N-CA 118.753 -1.179 . . . . 0.0 109.599 -179.128 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.446 ' ND1' ' HG ' ' A' ' 36' ' ' LEU . 33.8 m80 -78.39 -54.04 6.62 Favored 'General case' 0 C--O 1.245 0.861 0 N-CA-C 114.895 1.443 . . . . 0.0 114.895 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.506 ' OG ' ' O ' ' A' ' 25' ' ' LYS . 23.1 t -57.86 -41.91 83.4 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 118.393 -1.323 . . . . 0.0 108.739 -178.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.15 -43.87 92.31 Favored Glycine 0 C--N 1.342 0.914 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.722 178.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.501 ' HB2' ' O ' ' A' ' 17' ' ' ALA . 7.4 ttpm? -59.77 -42.66 93.79 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 113.302 0.853 . . . . 0.0 113.302 -179.004 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -129.72 142.76 50.65 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 -177.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.49 -130.1 49.74 Favored Glycine 0 CA--C 1.523 0.564 0 CA-C-N 115.209 -0.905 . . . . 0.0 113.406 177.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -79.27 124.99 28.9 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 114.868 -0.666 . . . . 0.0 110.119 -179.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.506 ' O ' ' OG ' ' A' ' 19' ' ' SER . 34.4 mtmt -58.36 -31.27 67.45 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.212 -0.904 . . . . 0.0 112.842 -177.563 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.621 ' OH ' ' CD2' ' B' ' 90' ' ' TRP . 93.2 m-85 -105.93 18.31 22.3 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 -177.496 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.3 tptt -140.45 139.44 35.2 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 119.662 -0.815 . . . . 0.0 109.236 178.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.9 tp -108.67 128.37 54.8 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.371 -177.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 95.1 p -103.35 165.55 10.96 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.016 -179.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -53.2 -46.83 69.18 Favored 'General case' 0 C--O 1.24 0.568 0 CA-C-O 120.936 0.398 . . . . 0.0 111.936 -178.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 32' ' ' GLU . 14.8 ptpt -60.69 -39.56 88.91 Favored 'General case' 0 N--CA 1.439 -1.011 0 C-N-CA 119.576 -0.849 . . . . 0.0 109.7 -178.729 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.409 ' N ' ' HG3' ' A' ' 31' ' ' LYS . 96.9 mt-10 -68.2 -52.46 34.02 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 119.679 -0.808 . . . . 0.0 112.275 -179.493 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.78 -36.34 74.25 Favored 'General case' 0 CA--C 1.503 -0.843 0 C-N-CA 118.316 -1.353 . . . . 0.0 110.074 -179.517 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.715 ' NZ ' HE22 ' A' ' 38' ' ' GLN . 0.3 OUTLIER -55.76 -37.69 68.85 Favored 'General case' 0 N--CA 1.435 -1.216 0 C-N-CA 117.87 -1.532 . . . . 0.0 108.425 179.725 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.471 ' O ' ' CG2' ' A' ' 39' ' ' THR . 97.3 mt-10 -76.2 -41.17 50.36 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 178.763 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.446 ' HG ' ' ND1' ' A' ' 18' ' ' HIS . 3.4 tt -66.88 -46.3 75.39 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 120.256 -0.578 . . . . 0.0 112.129 -176.544 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.563 ' CD2' ' N ' ' A' ' 37' ' ' LEU . 1.2 mm? -64.79 -43.11 94.27 Favored 'General case' 0 CA--C 1.518 -0.252 0 C-N-CA 118.798 -1.161 . . . . 0.0 110.867 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.715 HE22 ' NZ ' ' A' ' 34' ' ' LYS . 95.5 mt-30 -64.42 -40.04 94.99 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.6 -0.44 . . . . 0.0 112.132 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.471 ' CG2' ' O ' ' A' ' 35' ' ' GLU . 62.5 p -72.39 -38.21 68.52 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 120.292 -0.563 . . . . 0.0 112.292 -179.231 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.558 ' OE1' ' O ' ' B' ' 1' ' ' GLY . 78.2 mm-40 -92.65 -55.28 3.44 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 113.042 0.756 . . . . 0.0 113.042 -179.362 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.555 ' O ' ' O ' ' A' ' 37' ' ' LEU . 53.6 mt -101.47 142.85 32.23 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.255 0.55 . . . . 0.0 111.433 -179.011 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.4 t -112.91 -62.1 1.64 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.531 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.63 -38.84 92.44 Favored Glycine 0 CA--C 1.533 1.163 0 CA-C-N 116.079 -0.51 . . . . 0.0 114.346 -178.006 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -61.8 -53.29 57.95 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 118.117 0.959 . . . . 0.0 112.694 -177.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -73.08 -37.59 66.73 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 120.32 -0.552 . . . . 0.0 111.533 178.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 58.3 t0 -59.26 -30.34 68.21 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.962 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.8 -32.08 63.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.785 -177.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -96.78 116.93 29.98 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 119.32 -0.952 . . . . 0.0 109.268 179.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -63.79 -37.47 87.47 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 114.244 1.201 . . . . 0.0 114.244 -178.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -72.43 142.59 48.65 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -177.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.9 m -72.26 -28.27 28.64 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 177.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -60.74 -24.41 65.7 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 114.298 -1.319 . . . . 0.0 108.912 178.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.85 -35.47 44.82 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.672 -1.149 . . . . 0.0 110.764 -178.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.544 ' CG1' ' N ' ' A' ' 55' ' ' ASP . 7.3 p -58.85 -44.84 91.46 Favored 'Isoleucine or valine' 0 C--O 1.236 0.393 0 C-N-CA 119.259 -0.977 . . . . 0.0 109.567 178.681 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.544 ' N ' ' CG1' ' A' ' 54' ' ' VAL . 92.4 m-20 -62.98 -42.07 99.73 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.923 178.614 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -59.67 -39.48 84.61 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.019 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 72.0 t -65.35 -44.92 94.59 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 C-N-CA 120.412 -0.515 . . . . 0.0 110.397 179.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -71.14 -33.05 69.7 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 114.473 1.286 . . . . 0.0 114.473 -178.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.3 mtmm -58.21 -40.91 82.83 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 119.704 -0.798 . . . . 0.0 113.006 -177.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -71.25 -34.74 71.01 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 119.667 -0.813 . . . . 0.0 110.186 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.449 ' O ' ' CD ' ' A' ' 73' ' ' GLU . 88.1 mt -67.49 -34.71 77.7 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-N 115.508 -0.769 . . . . 0.0 112.291 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -72.08 84.65 1.0 Allowed 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 118.561 -1.255 . . . . 0.0 111.279 -177.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -63.51 -47.41 81.78 Favored 'General case' 0 CA--C 1.505 -0.766 0 CA-C-O 122.52 1.152 . . . . 0.0 110.738 176.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 31.9 m120 -59.33 -35.48 73.92 Favored 'General case' 0 C--N 1.3 -1.559 0 CA-C-N 112.656 -2.065 . . . . 0.0 111.336 -179.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.78 17.32 70.66 Favored Glycine 0 CA--C 1.521 0.408 0 N-CA-C 108.429 -1.869 . . . . 0.0 108.429 -177.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.525 ' O ' ' OE1' ' A' ' 68' ' ' GLU . 24.5 p-10 -86.49 0.97 53.12 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 -178.414 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 82.62 2.45 90.63 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 178.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.525 ' OE1' ' O ' ' A' ' 66' ' ' ASP . 53.0 mp0 -120.0 156.69 30.38 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-O 121.513 0.673 . . . . 0.0 112.083 179.719 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 45.5 t -106.63 131.51 56.25 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.497 0 N-CA-C 107.216 -1.402 . . . . 0.0 107.216 176.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.546 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 51.3 t0 -101.28 160.82 14.09 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.088 0.47 . . . . 0.0 111.325 -178.169 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.546 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 1.0 OUTLIER -50.3 -44.48 54.07 Favored 'General case' 0 C--O 1.218 -0.594 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.451 -178.393 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -62.22 -40.62 96.74 Favored 'General case' 0 C--O 1.245 0.861 0 C-N-CA 119.898 -0.721 . . . . 0.0 111.011 178.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.449 ' CD ' ' O ' ' A' ' 61' ' ' LEU . 86.5 mt-10 -64.4 -42.21 96.21 Favored 'General case' 0 C--O 1.241 0.643 0 CA-C-O 122.375 1.084 . . . . 0.0 109.531 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -63.32 -41.36 98.91 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-N 114.352 -1.295 . . . . 0.0 110.222 178.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -60.28 -48.08 89.66 Favored 'Isoleucine or valine' 0 C--O 1.248 0.977 0 CA-C-N 113.684 -1.598 . . . . 0.0 109.816 -178.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 15.8 m -67.33 -34.49 69.25 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.557 0 C-N-CA 117.911 -1.515 . . . . 0.0 109.366 178.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 24.8 tp -57.29 -50.78 71.84 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 118.903 -1.119 . . . . 0.0 111.651 178.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.497 ' O ' ' OG1' ' A' ' 82' ' ' THR . 33.5 m -69.43 -35.85 68.89 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.286 0 C-N-CA 118.718 -1.193 . . . . 0.0 111.678 -179.122 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.57 -48.97 62.86 Favored 'General case' 0 C--O 1.25 1.084 0 C-N-CA 118.987 -1.085 . . . . 0.0 111.765 -179.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.09 -39.36 94.49 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.037 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.1 mp -65.7 -34.33 77.95 Favored 'General case' 0 C--O 1.219 -0.533 0 C-N-CA 119.299 -0.96 . . . . 0.0 109.84 176.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.497 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 38.2 m -63.36 -50.21 70.85 Favored 'General case' 0 C--O 1.248 0.976 0 C-N-CA 119.723 -0.791 . . . . 0.0 111.399 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.478 ' O ' ' OD1' ' A' ' 87' ' ' ASN . 12.9 p -63.88 -39.22 84.62 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 119.127 -1.029 . . . . 0.0 110.64 178.787 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.78 -30.12 70.71 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-O 121.092 0.472 . . . . 0.0 109.904 178.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.523 ' C ' ' SD ' ' A' ' 201' ' ' HCS . 34.1 t -68.36 -55.29 12.54 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 115.514 -0.767 . . . . 0.0 109.748 -179.65 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -56.66 -40.23 75.12 Favored 'General case' 0 C--O 1.24 0.586 0 C-N-CA 118.262 -1.375 . . . . 0.0 108.496 178.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.673 ' O ' ' HB2' ' A' ' 91' ' ' GLU . 23.9 m120 -58.86 -40.37 84.11 Favored 'General case' 0 C--O 1.2 -1.509 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 177.614 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.56 ' O ' ' O ' ' A' ' 91' ' ' GLU . 68.4 t80 -63.56 -40.58 97.36 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 118.31 -1.356 . . . . 0.0 110.502 178.742 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -64.23 -60.76 2.81 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 120.026 -0.67 . . . . 0.0 112.294 -178.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.62 ' CD2' ' OH ' ' B' ' 26' ' ' TYR . 20.3 t-105 -69.03 -43.98 73.63 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 119.748 -0.781 . . . . 0.0 111.449 179.058 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.673 ' HB2' ' O ' ' A' ' 87' ' ' ASN . 93.8 mt-10 -97.97 144.62 27.31 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.306 -1.315 . . . . 0.0 111.663 -179.648 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 93' ' ' SER . 48.4 t30 57.09 45.13 21.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.476 179.472 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 92' ' ' ASN . 18.8 p . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 117.974 -1.013 . . . . 0.0 110.514 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . 0.558 ' O ' ' OE1' ' A' ' 40' ' ' GLU . . . . . . . . 0 CA--C 1.524 0.624 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 83.4 p -68.2 -15.36 63.55 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.652 -0.274 . . . . 0.0 111.108 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -59.93 -40.88 90.38 Favored 'General case' 0 C--O 1.233 0.228 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 -176.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 5.6 tt -65.65 -42.13 91.75 Favored 'General case' 0 C--O 1.241 0.629 0 C-N-CA 118.166 -1.413 . . . . 0.0 108.046 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.448 ' OE1' ' C ' ' B' ' 5' ' ' GLU . 6.1 tm-20 -63.93 -39.99 95.42 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 114.274 -1.33 . . . . 0.0 109.231 179.616 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 44.2 m -60.3 -40.24 89.82 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.439 178.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.81 -44.75 92.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.059 179.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 98.3 mtp -59.6 -41.16 89.69 Favored 'General case' 0 C--O 1.248 1.016 0 CA-C-O 121.76 0.79 . . . . 0.0 109.529 179.114 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -64.62 -36.52 84.53 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.004 178.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 50.7 m -63.48 -43.44 97.28 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 119.852 -0.739 . . . . 0.0 110.387 179.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 41.3 mt -61.98 -42.29 98.98 Favored 'General case' 0 C--O 1.242 0.667 0 C-N-CA 119.163 -1.015 . . . . 0.0 108.727 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.458 HG21 HD12 ' B' ' 12' ' ' ILE . 98.0 mt -61.54 -45.8 97.89 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 C-N-CA 119.681 -0.808 . . . . 0.0 111.284 178.467 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -62.01 -41.37 98.0 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.956 0.724 . . . . 0.0 112.956 -178.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 15.0 m -73.41 -41.22 56.92 Favored 'Isoleucine or valine' 0 C--O 1.256 1.396 0 C-N-CA 119.261 -0.975 . . . . 0.0 111.143 -179.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -60.4 -47.58 85.49 Favored 'General case' 0 CA--C 1.513 -0.48 0 C-N-CA 119.074 -1.05 . . . . 0.0 109.856 177.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -62.74 -35.35 79.48 Favored 'General case' 0 CA--C 1.501 -0.934 0 CA-C-N 115.219 -0.9 . . . . 0.0 109.582 178.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.502 ' O ' ' HB2' ' B' ' 21' ' ' LYS . . . -57.48 -51.32 69.91 Favored 'General case' 0 N--CA 1.436 -1.133 0 C-N-CA 118.72 -1.192 . . . . 0.0 109.562 -179.148 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.451 ' ND1' ' HG ' ' B' ' 36' ' ' LEU . 33.7 m80 -78.32 -54.12 6.55 Favored 'General case' 0 C--O 1.245 0.833 0 N-CA-C 114.881 1.437 . . . . 0.0 114.881 -179.677 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.493 ' OG ' ' O ' ' B' ' 25' ' ' LYS . 23.1 t -57.82 -42.01 83.43 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 118.389 -1.324 . . . . 0.0 108.739 -178.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.14 -43.88 92.31 Favored Glycine 0 C--N 1.343 0.968 0 CA-C-N 115.185 -0.916 . . . . 0.0 111.666 178.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.502 ' HB2' ' O ' ' B' ' 17' ' ' ALA . 7.4 ttpm? -59.68 -42.77 93.65 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 -179.002 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -129.68 142.82 50.65 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 113.981 1.104 . . . . 0.0 113.981 -177.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.48 -130.19 49.9 Favored Glycine 0 CA--C 1.523 0.567 0 CA-C-N 115.222 -0.899 . . . . 0.0 113.364 177.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -79.18 124.99 28.86 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 114.894 -0.653 . . . . 0.0 110.082 -179.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.493 ' O ' ' OG ' ' B' ' 19' ' ' SER . 34.5 mtmt -58.34 -31.25 67.4 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.139 -0.937 . . . . 0.0 112.863 -177.636 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.62 ' OH ' ' CD2' ' A' ' 90' ' ' TRP . 93.2 m-85 -105.87 18.28 22.36 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 -177.525 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 35.7 tptt -140.39 139.55 35.34 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 119.599 -0.84 . . . . 0.0 109.343 178.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 18.0 tp -108.84 128.36 54.83 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.289 -177.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 94.3 p -103.33 165.63 10.91 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.935 -179.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -53.2 -46.87 69.21 Favored 'General case' 0 C--O 1.241 0.612 0 CA-C-O 120.903 0.382 . . . . 0.0 111.928 -178.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' B' ' 32' ' ' GLU . 14.8 ptpt -60.65 -39.65 89.1 Favored 'General case' 0 N--CA 1.439 -1.001 0 C-N-CA 119.605 -0.838 . . . . 0.0 109.692 -178.725 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.414 ' N ' ' HG3' ' B' ' 31' ' ' LYS . 96.9 mt-10 -68.05 -52.58 33.76 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 119.81 -0.756 . . . . 0.0 112.282 -179.548 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.74 -36.36 74.2 Favored 'General case' 0 CA--C 1.504 -0.818 0 C-N-CA 118.312 -1.355 . . . . 0.0 110.08 -179.5 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.706 ' NZ ' HE22 ' B' ' 38' ' ' GLN . 0.3 OUTLIER -55.81 -37.63 68.9 Favored 'General case' 0 N--CA 1.434 -1.23 0 C-N-CA 117.787 -1.565 . . . . 0.0 108.42 179.77 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.467 ' O ' ' CG2' ' B' ' 39' ' ' THR . 97.3 mt-10 -76.16 -41.25 50.42 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 113.0 0.741 . . . . 0.0 113.0 178.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.451 ' HG ' ' ND1' ' B' ' 18' ' ' HIS . 3.5 tt -66.86 -46.29 75.48 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 120.238 -0.585 . . . . 0.0 112.075 -176.493 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.571 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 1.2 mm? -64.91 -42.98 94.26 Favored 'General case' 0 CA--C 1.52 -0.194 0 C-N-CA 118.761 -1.176 . . . . 0.0 110.878 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.706 HE22 ' NZ ' ' B' ' 34' ' ' LYS . 95.5 mt-30 -64.55 -40.0 94.79 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.485 -0.486 . . . . 0.0 112.114 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.467 ' CG2' ' O ' ' B' ' 35' ' ' GLU . 63.4 p -72.3 -38.23 68.79 Favored 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 120.364 -0.534 . . . . 0.0 112.33 -179.325 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.557 ' OE1' ' O ' ' A' ' 1' ' ' GLY . 78.2 mm-40 -92.66 -55.29 3.43 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 113.041 0.756 . . . . 0.0 113.041 -179.302 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.556 ' O ' ' O ' ' B' ' 37' ' ' LEU . 54.4 mt -101.5 142.94 32.12 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.225 0.536 . . . . 0.0 111.383 -179.023 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 7.4 t -112.95 -62.12 1.63 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.55 179.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.59 -38.93 92.55 Favored Glycine 0 CA--C 1.532 1.151 0 CA-C-N 115.939 -0.573 . . . . 0.0 114.358 -178.075 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -61.75 -53.35 57.25 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 118.11 0.955 . . . . 0.0 112.689 -177.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -73.07 -37.52 66.77 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 120.346 -0.541 . . . . 0.0 111.5 178.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 58.3 t0 -59.36 -30.26 68.28 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.999 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.81 -32.1 63.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.796 -177.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 82.6 mm-40 -96.75 116.9 29.92 Favored 'General case' 0 C--O 1.232 0.142 0 C-N-CA 119.404 -0.919 . . . . 0.0 109.343 179.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -63.77 -37.57 87.85 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 114.192 1.182 . . . . 0.0 114.192 -178.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -72.24 142.55 48.97 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 113.237 0.828 . . . . 0.0 113.237 -177.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 4.8 m -72.26 -28.28 28.64 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.13 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 177.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -60.69 -24.45 65.64 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 114.232 -1.349 . . . . 0.0 108.933 178.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.93 -35.38 45.53 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 114.704 -1.134 . . . . 0.0 110.775 -178.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.538 ' CG1' ' N ' ' B' ' 55' ' ' ASP . 7.4 p -58.88 -44.79 91.5 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 C-N-CA 119.284 -0.966 . . . . 0.0 109.583 178.632 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.538 ' N ' ' CG1' ' B' ' 54' ' ' VAL . 92.4 m-20 -63.11 -41.93 99.47 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.911 178.655 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -59.84 -39.42 85.08 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.995 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 72.3 t -65.45 -44.78 94.23 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 C-N-CA 120.385 -0.526 . . . . 0.0 110.4 179.188 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -71.1 -33.15 69.9 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 114.561 1.319 . . . . 0.0 114.561 -179.116 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 12.4 mtmm -58.16 -40.92 82.63 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 119.631 -0.828 . . . . 0.0 113.041 -177.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -71.22 -34.75 71.11 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 119.67 -0.812 . . . . 0.0 110.178 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.455 ' O ' ' CD ' ' B' ' 73' ' ' GLU . 88.1 mt -67.5 -34.7 77.67 Favored 'General case' 0 CA--C 1.511 -0.552 0 CA-C-N 115.509 -0.769 . . . . 0.0 112.291 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -72.14 84.65 1.02 Allowed 'General case' 0 N--CA 1.445 -0.718 0 C-N-CA 118.537 -1.265 . . . . 0.0 111.301 -177.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -63.49 -47.42 81.81 Favored 'General case' 0 CA--C 1.506 -0.744 0 CA-C-O 122.517 1.151 . . . . 0.0 110.727 176.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 31.9 m120 -59.29 -35.58 74.01 Favored 'General case' 0 C--N 1.3 -1.552 0 CA-C-N 112.692 -2.049 . . . . 0.0 111.281 -179.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.82 17.33 70.54 Favored Glycine 0 CA--C 1.521 0.442 0 N-CA-C 108.487 -1.845 . . . . 0.0 108.487 -177.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.522 ' O ' ' OE1' ' B' ' 68' ' ' GLU . 24.4 p-10 -86.54 1.04 53.03 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 112.794 0.664 . . . . 0.0 112.794 -178.367 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 82.64 2.38 90.63 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 178.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.522 ' OE1' ' O ' ' B' ' 66' ' ' ASP . 52.8 mp0 -119.98 156.79 30.17 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-O 121.448 0.642 . . . . 0.0 112.125 179.702 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 45.1 t -106.55 131.56 56.03 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.546 0 N-CA-C 107.335 -1.357 . . . . 0.0 107.335 176.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.538 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 50.2 t0 -100.88 160.81 14.06 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.083 0.468 . . . . 0.0 111.283 -178.123 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.538 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 1.0 OUTLIER -50.44 -44.49 55.41 Favored 'General case' 0 C--O 1.218 -0.588 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.387 -178.778 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -62.28 -40.56 96.65 Favored 'General case' 0 C--O 1.244 0.778 0 C-N-CA 119.876 -0.73 . . . . 0.0 111.051 178.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.455 ' CD ' ' O ' ' B' ' 61' ' ' LEU . 86.5 mt-10 -64.44 -42.08 96.2 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-O 122.422 1.106 . . . . 0.0 109.615 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -63.49 -41.19 98.57 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-N 114.333 -1.303 . . . . 0.0 110.231 178.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -60.45 -47.88 90.74 Favored 'Isoleucine or valine' 0 C--O 1.248 0.995 0 CA-C-N 113.725 -1.579 . . . . 0.0 109.843 -178.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 15.9 m -67.54 -34.36 67.83 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 C-N-CA 117.88 -1.528 . . . . 0.0 109.343 178.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 25.1 tp -57.37 -50.76 71.94 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 118.902 -1.119 . . . . 0.0 111.627 178.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.49 ' O ' ' OG1' ' B' ' 82' ' ' THR . 33.6 m -69.38 -35.93 69.52 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.263 0 C-N-CA 118.775 -1.17 . . . . 0.0 111.664 -179.153 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.54 -49.01 62.78 Favored 'General case' 0 C--O 1.25 1.129 0 C-N-CA 118.981 -1.088 . . . . 0.0 111.759 -179.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.02 -39.3 94.34 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.115 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.405 ' N ' HD12 ' B' ' 81' ' ' LEU . 10.1 mp -65.66 -34.43 78.2 Favored 'General case' 0 C--O 1.218 -0.571 0 C-N-CA 119.31 -0.956 . . . . 0.0 109.828 176.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.49 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 37.8 m -63.21 -50.35 70.64 Favored 'General case' 0 C--O 1.246 0.911 0 C-N-CA 119.756 -0.778 . . . . 0.0 111.327 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.494 ' O ' ' OD1' ' B' ' 87' ' ' ASN . 12.9 p -63.9 -39.19 84.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 119.069 -1.052 . . . . 0.0 110.679 178.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.68 -30.13 70.78 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 121.099 0.476 . . . . 0.0 109.993 178.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . 0.514 ' C ' ' SD ' ' B' ' 201' ' ' HCS . 34.0 t -68.36 -55.31 12.47 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.691 -179.628 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -56.73 -40.21 75.31 Favored 'General case' 0 C--O 1.24 0.575 0 C-N-CA 118.372 -1.331 . . . . 0.0 108.479 179.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . 0.655 ' O ' ' HB2' ' B' ' 91' ' ' GLU . 24.0 m120 -58.89 -40.37 84.25 Favored 'General case' 0 C--O 1.198 -1.616 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 177.618 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.564 ' O ' ' O ' ' B' ' 91' ' ' GLU . 68.4 t80 -63.57 -40.51 97.15 Favored 'General case' 0 C--N 1.302 -1.474 0 C-N-CA 118.23 -1.388 . . . . 0.0 110.528 178.753 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -64.23 -60.8 2.77 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 120.007 -0.677 . . . . 0.0 112.317 -178.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.621 ' CD2' ' OH ' ' A' ' 26' ' ' TYR . 20.1 t-105 -68.97 -44.02 73.76 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 119.701 -0.8 . . . . 0.0 111.434 179.012 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.655 ' HB2' ' O ' ' B' ' 87' ' ' ASN . 93.7 mt-10 -98.07 144.67 27.32 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.317 -1.31 . . . . 0.0 111.634 -179.557 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . 0.412 ' O ' ' C ' ' B' ' 93' ' ' SER . 48.5 t30 57.07 45.12 21.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.499 179.584 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 93' ' ' SER . . . . . 0.412 ' C ' ' O ' ' B' ' 92' ' ' ASN . 18.8 p . . . . . 0 C--O 1.219 -0.509 0 CA-C-O 117.975 -1.012 . . . . 0.0 110.498 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' HCS . . . . . 0.523 ' SD ' ' C ' ' A' ' 85' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 201' ' ' HCS . . . . . 0.514 ' SD ' ' C ' ' B' ' 85' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.534 ' O ' ' OE1' ' B' ' 40' ' ' GLU . . . . . . . . 0 CA--C 1.525 0.676 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.7 m -82.8 10.92 6.68 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.662 0.268 . . . . 0.0 110.778 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -58.65 -38.06 77.3 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 113.199 0.815 . . . . 0.0 113.199 -177.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.1 tt -64.23 -42.08 96.71 Favored 'General case' 0 C--O 1.241 0.653 0 C-N-CA 119.201 -1.0 . . . . 0.0 108.716 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.453 ' C ' ' OE1' ' A' ' 5' ' ' GLU . 6.4 tm-20 -63.72 -40.49 96.89 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 114.617 -1.174 . . . . 0.0 109.127 179.508 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 44.3 m -60.4 -39.59 87.91 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.179 178.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.59 -43.51 96.72 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.934 179.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 97.7 mtp -59.21 -41.3 88.26 Favored 'General case' 0 C--O 1.248 1.017 0 CA-C-O 121.924 0.869 . . . . 0.0 109.079 178.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -64.76 -35.35 80.78 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 114.917 -1.038 . . . . 0.0 110.151 178.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 50.3 m -64.52 -43.59 93.55 Favored 'General case' 0 N--CA 1.445 -0.681 0 C-N-CA 120.001 -0.679 . . . . 0.0 110.292 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 38.6 mt -62.24 -42.87 99.7 Favored 'General case' 0 C--O 1.24 0.565 0 C-N-CA 119.317 -0.953 . . . . 0.0 108.984 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.19 -46.18 97.04 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.118 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.49 178.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -61.98 -41.18 97.74 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 -178.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.1 m -73.51 -41.06 56.21 Favored 'Isoleucine or valine' 0 C--O 1.254 1.329 0 C-N-CA 119.138 -1.025 . . . . 0.0 111.317 -179.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -60.24 -47.06 87.6 Favored 'General case' 0 CA--C 1.514 -0.441 0 C-N-CA 119.28 -0.968 . . . . 0.0 109.491 177.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -63.33 -35.25 79.74 Favored 'General case' 0 CA--C 1.504 -0.79 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.649 177.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.505 ' O ' ' HB2' ' A' ' 21' ' ' LYS . . . -57.59 -51.2 70.48 Favored 'General case' 0 N--CA 1.436 -1.128 0 C-N-CA 118.835 -1.146 . . . . 0.0 109.621 -178.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.46 ' ND1' ' HG ' ' A' ' 36' ' ' LEU . 47.6 m80 -79.13 -52.86 7.61 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 114.687 1.366 . . . . 0.0 114.687 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.454 ' OG ' ' O ' ' A' ' 24' ' ' ASP . 22.7 t -57.99 -40.5 80.86 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 118.979 -1.089 . . . . 0.0 108.917 -179.081 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -71.66 -43.33 52.21 Favored Glycine 0 C--N 1.341 0.821 0 CA-C-N 115.324 -0.853 . . . . 0.0 112.486 178.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.505 ' HB2' ' O ' ' A' ' 17' ' ' ALA . 7.0 ttpm? -58.46 -44.24 89.17 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 119.941 -0.704 . . . . 0.0 111.705 -179.651 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.525 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 84.8 tt0 -135.91 139.3 43.19 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.178 -0.609 . . . . 0.0 110.832 -179.72 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.96 -163.15 52.2 Favored Glycine 0 CA--C 1.521 0.433 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 178.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.454 ' O ' ' OG ' ' A' ' 19' ' ' SER . 89.2 m-20 -67.99 142.45 55.94 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 178.729 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.3 mtmt -61.1 -32.52 72.19 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.574 -0.739 . . . . 0.0 112.678 -177.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.604 ' OH ' ' CE3' ' B' ' 90' ' ' TRP . 98.8 m-85 -106.6 18.16 22.28 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 113.045 0.758 . . . . 0.0 113.045 -177.705 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.424 ' CG ' ' OE2' ' A' ' 68' ' ' GLU . 38.7 tptt -140.49 140.7 35.37 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 119.065 -1.054 . . . . 0.0 108.91 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.4 tp -117.17 131.42 56.88 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.277 -175.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 87.2 p -99.24 165.64 11.6 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 116.751 -0.204 . . . . 0.0 111.064 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.0 ttpm? -54.24 -48.39 71.17 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-O 121.226 0.536 . . . . 0.0 111.857 -177.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.546 ' HG3' ' N ' ' A' ' 32' ' ' GLU . 24.8 pttm -61.31 -47.87 83.95 Favored 'General case' 0 N--CA 1.439 -0.987 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.292 -178.722 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.546 ' N ' ' HG3' ' A' ' 31' ' ' LYS . 95.7 mt-10 -62.84 -48.91 77.01 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 120.054 -0.658 . . . . 0.0 112.09 -178.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.1 pp -61.66 -35.82 79.05 Favored 'General case' 0 CA--C 1.501 -0.929 0 C-N-CA 118.53 -1.268 . . . . 0.0 109.85 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.682 ' NZ ' ' NE2' ' A' ' 38' ' ' GLN . 1.1 tptm -55.96 -36.61 68.0 Favored 'General case' 0 N--CA 1.434 -1.226 0 C-N-CA 118.584 -1.246 . . . . 0.0 108.041 178.154 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.47 ' O ' ' CG2' ' A' ' 39' ' ' THR . 77.1 mm-40 -74.26 -40.41 62.37 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 179.162 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.46 ' HG ' ' ND1' ' A' ' 18' ' ' HIS . 4.1 tt -65.7 -45.57 82.28 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 119.774 -0.77 . . . . 0.0 111.384 -177.225 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.573 ' O ' ' O ' ' A' ' 41' ' ' LEU . 1.3 mm? -64.25 -43.61 94.37 Favored 'General case' 0 N--CA 1.462 0.148 0 C-N-CA 118.941 -1.104 . . . . 0.0 111.049 179.792 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.682 ' NE2' ' NZ ' ' A' ' 34' ' ' LYS . 95.5 mt-30 -63.64 -39.25 93.87 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 120.454 -0.498 . . . . 0.0 111.612 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.47 ' CG2' ' O ' ' A' ' 35' ' ' GLU . 64.1 p -71.36 -32.87 69.03 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.571 -0.451 . . . . 0.0 111.2 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.526 ' OE1' ' O ' ' B' ' 1' ' ' GLY . 77.4 mm-40 -101.86 -59.61 1.67 Allowed 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -178.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.573 ' O ' ' O ' ' A' ' 37' ' ' LEU . 51.3 mt -99.43 141.82 31.72 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.213 0.53 . . . . 0.0 111.521 -179.146 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.6 t -113.09 -59.97 1.95 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.674 179.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.92 -39.31 93.89 Favored Glycine 0 CA--C 1.531 1.088 0 CA-C-N 116.018 -0.537 . . . . 0.0 114.215 -178.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -62.02 -52.52 63.65 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 118.029 0.914 . . . . 0.0 112.729 -178.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -73.03 -38.57 66.49 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.444 -0.502 . . . . 0.0 111.769 178.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 57.0 t0 -60.2 -30.13 69.17 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.54 -179.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.17 -29.12 60.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.093 -0.503 . . . . 0.0 112.275 -177.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 90.2 mm-40 -90.66 121.37 32.51 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 119.442 -0.903 . . . . 0.0 110.169 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -62.66 -39.16 93.03 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 113.68 0.993 . . . . 0.0 113.68 -179.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -69.69 142.35 53.38 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -177.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.3 m -74.25 -27.82 22.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.422 178.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -81.98 3.83 25.06 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.213 179.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.84 -36.97 68.11 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.542 -179.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.522 ' CG1' ' N ' ' A' ' 55' ' ' ASP . 8.4 p -60.79 -42.01 90.68 Favored 'Isoleucine or valine' 0 C--O 1.243 0.749 0 C-N-CA 120.106 -0.638 . . . . 0.0 109.558 178.421 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.522 ' N ' ' CG1' ' A' ' 54' ' ' VAL . 21.8 t70 -59.89 -42.69 94.36 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.478 -0.783 . . . . 0.0 108.986 179.004 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -63.0 -37.7 88.21 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.171 -0.922 . . . . 0.0 110.239 178.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 70.9 t -63.46 -45.08 98.84 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.107 0 CA-C-N 116.065 -0.516 . . . . 0.0 112.053 -178.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.554 ' CE ' ' O ' ' A' ' 67' ' ' GLY . 1.5 ptp -65.24 -31.91 73.31 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 -178.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.1 mtmm -57.85 -42.41 84.4 Favored 'General case' 0 C--O 1.231 0.118 0 C-N-CA 119.65 -0.82 . . . . 0.0 112.298 -177.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -66.79 -39.74 87.89 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.408 0.623 . . . . 0.0 110.677 178.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 65.9 mt -68.24 -33.36 74.26 Favored 'General case' 0 CA--C 1.513 -0.47 0 CA-C-N 114.842 -1.072 . . . . 0.0 112.948 -178.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.578 ' OD2' ' N ' ' A' ' 66' ' ' ASP . 40.3 t0 -77.62 99.04 5.63 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 119.005 -1.078 . . . . 0.0 112.553 -176.604 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -67.26 -47.36 70.94 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-O 122.643 1.211 . . . . 0.0 111.221 176.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 31.4 m120 -58.8 -34.86 71.96 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-N 112.41 -2.177 . . . . 0.0 113.126 -177.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.488 ' C ' ' OD2' ' A' ' 62' ' ' ASP . . . 91.74 2.33 69.78 Favored Glycine 0 CA--C 1.528 0.855 0 N-CA-C 108.35 -1.9 . . . . 0.0 108.35 -177.128 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.67 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 47.4 p30 -62.59 -33.95 76.02 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 114.214 -0.993 . . . . 0.0 112.544 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.67 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 95.57 -2.15 64.62 Favored Glycine 0 C--O 1.226 -0.353 0 N-CA-C 109.356 -1.498 . . . . 0.0 109.356 -178.806 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.447 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 81.8 tt0 -113.55 143.34 44.71 Favored 'General case' 0 C--O 1.243 0.754 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 179.457 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 47.2 t -97.98 135.07 33.93 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.44 0 CA-C-N 116.137 -0.483 . . . . 0.0 112.036 -175.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.563 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 53.9 t0 -100.24 158.59 15.76 Favored 'General case' 0 N--CA 1.462 0.125 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.21 -179.588 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.563 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 1.0 OUTLIER -50.63 -43.96 57.2 Favored 'General case' 0 C--O 1.217 -0.62 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.63 -178.563 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -61.51 -40.33 94.21 Favored 'General case' 0 C--O 1.244 0.766 0 C-N-CA 119.712 -0.795 . . . . 0.0 110.69 179.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -65.07 -42.11 94.46 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-O 122.111 0.958 . . . . 0.0 109.925 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -63.22 -40.97 98.98 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-N 114.9 -1.046 . . . . 0.0 109.837 178.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -60.37 -48.02 90.04 Favored 'Isoleucine or valine' 0 C--O 1.248 0.975 0 CA-C-N 113.686 -1.597 . . . . 0.0 110.135 -179.066 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 14.4 m -67.47 -34.87 71.22 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.495 0 C-N-CA 117.747 -1.581 . . . . 0.0 109.25 178.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 30.0 tp -56.21 -52.19 65.33 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 118.765 -1.174 . . . . 0.0 111.677 178.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.501 ' O ' ' OG1' ' A' ' 82' ' ' THR . 34.4 m -68.03 -36.61 76.12 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 C-N-CA 118.487 -1.285 . . . . 0.0 111.852 -179.022 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.9 -49.32 59.19 Favored 'General case' 0 C--O 1.248 1.007 0 C-N-CA 119.072 -1.051 . . . . 0.0 112.24 -179.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.92 -39.92 96.02 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.434 HD11 ' N ' ' A' ' 81' ' ' LEU . 10.7 mp -65.05 -34.48 78.53 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 119.213 -0.995 . . . . 0.0 109.71 176.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.501 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 40.0 m -62.95 -50.05 72.34 Favored 'General case' 0 C--O 1.243 0.754 0 C-N-CA 119.71 -0.796 . . . . 0.0 111.479 179.732 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.7 p -64.16 -39.3 85.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 119.188 -1.005 . . . . 0.0 110.693 178.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.563 ' O ' ' CD1' ' A' ' 88' ' ' PHE . . . -65.58 -30.58 71.33 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 121.1 0.476 . . . . 0.0 109.892 178.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 45.2 t -68.05 -54.42 18.42 Favored 'General case' 0 CA--C 1.511 -0.521 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.478 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 34.7 t30 -56.44 -41.1 75.89 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 118.744 -1.183 . . . . 0.0 108.721 179.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -59.49 -38.24 80.35 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.945 178.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.563 ' CD1' ' O ' ' A' ' 84' ' ' ALA . 4.5 m-30 -66.31 -41.23 90.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.864 179.394 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -64.59 -52.31 58.21 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.191 -0.604 . . . . 0.0 111.408 -179.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.6 ' CE3' ' OH ' ' B' ' 26' ' ' TYR . 22.8 t-105 -66.65 -39.48 88.26 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-O 121.232 0.539 . . . . 0.0 112.023 179.155 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.54 ' O ' ' O ' ' A' ' 88' ' ' PHE . 4.8 tm-20 -104.42 139.38 39.44 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.935 -176.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.491 ' N ' ' OE1' ' A' ' 91' ' ' GLU . 23.6 m120 -105.79 137.81 43.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.417 179.696 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.1 t . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.627 179.957 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . 0.526 ' O ' ' OE1' ' A' ' 40' ' ' GLU . . . . . . . . 0 CA--C 1.525 0.665 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 75.7 m -82.87 10.99 6.6 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.634 0.254 . . . . 0.0 110.772 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -58.69 -38.05 77.38 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 -177.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 5.1 tt -64.26 -42.02 96.67 Favored 'General case' 0 C--O 1.24 0.601 0 C-N-CA 119.222 -0.991 . . . . 0.0 108.72 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.452 ' OE1' ' C ' ' B' ' 5' ' ' GLU . 6.4 tm-20 -63.79 -40.48 96.77 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 114.586 -1.188 . . . . 0.0 109.034 179.526 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 44.3 m -60.42 -39.53 87.78 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.208 178.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.51 -43.54 96.9 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.964 179.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 97.7 mtp -59.35 -41.25 88.77 Favored 'General case' 0 C--O 1.25 1.101 0 CA-C-O 121.81 0.814 . . . . 0.0 109.07 178.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -64.74 -36.17 83.42 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.009 178.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 50.3 m -63.65 -43.78 95.76 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 119.922 -0.711 . . . . 0.0 110.455 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 43.8 mt -62.31 -42.75 99.63 Favored 'General case' 0 C--O 1.24 0.589 0 C-N-CA 119.367 -0.933 . . . . 0.0 108.995 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.18 -46.11 97.19 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.481 178.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -61.97 -41.26 97.81 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -178.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 14.1 m -73.49 -40.99 56.32 Favored 'Isoleucine or valine' 0 C--O 1.254 1.321 0 C-N-CA 119.092 -1.043 . . . . 0.0 111.275 -179.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -60.33 -47.08 87.59 Favored 'General case' 0 CA--C 1.512 -0.491 0 C-N-CA 119.322 -0.951 . . . . 0.0 109.444 177.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -63.38 -35.09 79.26 Favored 'General case' 0 CA--C 1.502 -0.866 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.692 177.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.497 ' O ' ' HB2' ' B' ' 21' ' ' LYS . . . -57.64 -51.17 70.62 Favored 'General case' 0 N--CA 1.437 -1.111 0 C-N-CA 118.832 -1.147 . . . . 0.0 109.62 -178.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.473 ' ND1' ' HG ' ' B' ' 36' ' ' LEU . 47.4 m80 -79.12 -52.95 7.5 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 114.671 1.36 . . . . 0.0 114.671 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.458 ' OG ' ' O ' ' B' ' 24' ' ' ASP . 22.6 t -57.86 -40.61 80.58 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 119.022 -1.071 . . . . 0.0 108.989 -179.164 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -71.61 -43.35 52.56 Favored Glycine 0 C--N 1.341 0.81 0 CA-C-N 115.336 -0.847 . . . . 0.0 112.47 178.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.497 ' HB2' ' O ' ' B' ' 17' ' ' ALA . 7.0 ttpm? -58.58 -44.13 89.67 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 119.95 -0.7 . . . . 0.0 111.638 -179.575 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.522 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 84.7 tt0 -135.93 139.25 43.12 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.303 -0.559 . . . . 0.0 110.962 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.93 -163.06 52.17 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 178.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.458 ' O ' ' OG ' ' B' ' 19' ' ' SER . 88.9 m-20 -68.05 142.47 55.86 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 178.711 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 26.2 mtmt -61.17 -32.54 72.28 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.54 -0.755 . . . . 0.0 112.588 -177.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.6 ' OH ' ' CE3' ' A' ' 90' ' ' TRP . 98.7 m-85 -106.47 18.15 22.35 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 -177.75 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.422 ' CG ' ' OE2' ' B' ' 68' ' ' GLU . 39.6 tptt -140.41 140.82 35.54 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 119.083 -1.047 . . . . 0.0 109.044 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 14.5 tp -117.29 131.5 56.8 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.184 -175.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 87.4 p -99.35 165.64 11.57 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 116.792 -0.185 . . . . 0.0 111.078 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 5.0 ttpm? -54.28 -48.41 71.28 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 121.218 0.532 . . . . 0.0 111.908 -177.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.539 ' HG3' ' N ' ' B' ' 32' ' ' GLU . 24.8 pttm -61.34 -47.82 84.14 Favored 'General case' 0 N--CA 1.439 -0.999 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.263 -178.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.539 ' N ' ' HG3' ' B' ' 31' ' ' LYS . 95.7 mt-10 -62.74 -49.02 76.67 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 120.01 -0.676 . . . . 0.0 112.097 -178.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.1 pp -61.55 -35.94 79.2 Favored 'General case' 0 CA--C 1.5 -0.959 0 C-N-CA 118.53 -1.268 . . . . 0.0 109.841 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.679 ' NZ ' HE22 ' B' ' 38' ' ' GLN . 1.0 OUTLIER -55.82 -36.63 67.67 Favored 'General case' 0 N--CA 1.434 -1.263 0 C-N-CA 118.597 -1.241 . . . . 0.0 108.198 178.146 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.471 ' O ' ' CG2' ' B' ' 39' ' ' THR . 77.2 mm-40 -74.27 -40.41 62.35 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 179.118 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.473 ' HG ' ' ND1' ' B' ' 18' ' ' HIS . 4.2 tt -65.62 -45.64 82.35 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 119.773 -0.771 . . . . 0.0 111.428 -177.215 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.574 ' O ' ' O ' ' B' ' 41' ' ' LEU . 1.3 mm? -64.25 -43.57 94.48 Favored 'General case' 0 N--CA 1.462 0.175 0 C-N-CA 118.89 -1.124 . . . . 0.0 111.083 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.679 HE22 ' NZ ' ' B' ' 34' ' ' LYS . 95.5 mt-30 -63.62 -39.27 93.93 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.486 -0.486 . . . . 0.0 111.648 179.671 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.471 ' CG2' ' O ' ' B' ' 35' ' ' GLU . 64.6 p -71.38 -32.87 68.98 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.578 -0.449 . . . . 0.0 111.181 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.534 ' OE1' ' O ' ' A' ' 1' ' ' GLY . 77.4 mm-40 -101.8 -59.65 1.67 Allowed 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 113.361 0.875 . . . . 0.0 113.361 -178.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.574 ' O ' ' O ' ' B' ' 37' ' ' LEU . 51.8 mt -99.52 141.73 31.93 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.271 0.558 . . . . 0.0 111.506 -179.075 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 2.6 t -112.99 -59.92 1.95 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.73 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.96 -39.36 94.06 Favored Glycine 0 CA--C 1.531 1.051 0 CA-C-N 115.973 -0.558 . . . . 0.0 114.136 -178.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -62.11 -52.41 63.99 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 118.052 0.926 . . . . 0.0 112.726 -177.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -73.04 -38.58 66.46 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 120.394 -0.522 . . . . 0.0 111.727 178.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 57.0 t0 -60.21 -30.04 69.13 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.617 -179.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.22 -29.14 60.57 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.338 0.495 . . . . 0.0 112.338 -177.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 90.2 mm-40 -90.55 121.35 32.41 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 119.439 -0.905 . . . . 0.0 110.179 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -62.66 -39.18 93.1 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 -179.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -69.7 142.34 53.36 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -177.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 4.4 m -74.3 -27.72 21.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.39 178.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -82.01 3.81 25.23 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.214 179.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.88 -36.9 68.15 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.519 -179.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.52 ' CG1' ' N ' ' B' ' 55' ' ' ASP . 8.4 p -60.72 -41.99 90.38 Favored 'Isoleucine or valine' 0 C--O 1.244 0.787 0 C-N-CA 120.144 -0.622 . . . . 0.0 109.605 178.328 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.52 ' N ' ' CG1' ' B' ' 54' ' ' VAL . 21.9 t70 -59.92 -42.79 94.68 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.466 -0.788 . . . . 0.0 108.917 179.012 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -62.81 -37.89 88.52 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.175 178.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 71.0 t -63.48 -45.02 98.98 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.054 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.039 -178.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' MET . . . . . 0.542 ' CE ' ' O ' ' B' ' 67' ' ' GLY . 1.5 ptp -65.39 -31.75 73.02 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 113.345 0.869 . . . . 0.0 113.345 -178.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 19.2 mtmm -57.87 -42.43 84.55 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 119.694 -0.803 . . . . 0.0 112.27 -177.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -66.83 -39.62 87.72 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.455 0.645 . . . . 0.0 110.724 178.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 65.9 mt -68.3 -33.39 74.24 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 114.928 -1.033 . . . . 0.0 112.948 -178.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.581 ' OD2' ' N ' ' B' ' 66' ' ' ASP . 40.3 t0 -77.56 98.99 5.56 Favored 'General case' 0 C--N 1.319 -0.748 0 C-N-CA 119.04 -1.064 . . . . 0.0 112.535 -176.578 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -67.26 -47.27 71.22 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-O 122.646 1.213 . . . . 0.0 111.221 176.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 31.4 m120 -58.92 -34.82 72.14 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-N 112.45 -2.159 . . . . 0.0 113.029 -177.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.483 ' C ' ' OD2' ' B' ' 62' ' ' ASP . . . 91.63 2.39 69.99 Favored Glycine 0 CA--C 1.528 0.845 0 N-CA-C 108.332 -1.907 . . . . 0.0 108.332 -177.064 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.666 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 47.2 p30 -62.64 -33.93 76.02 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 114.24 -0.98 . . . . 0.0 112.514 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.666 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 95.58 -2.18 64.62 Favored Glycine 0 C--O 1.226 -0.347 0 N-CA-C 109.337 -1.505 . . . . 0.0 109.337 -178.76 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.425 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 82.0 tt0 -113.55 143.38 44.64 Favored 'General case' 0 C--O 1.243 0.73 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.531 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 47.4 t -98.01 135.03 34.14 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.392 0 CA-C-N 116.155 -0.475 . . . . 0.0 112.023 -175.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.562 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 53.3 t0 -99.99 158.62 15.69 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.131 -179.559 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.562 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 1.0 OUTLIER -50.77 -43.98 58.6 Favored 'General case' 0 C--O 1.217 -0.62 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.57 -178.743 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -61.42 -40.37 94.19 Favored 'General case' 0 C--O 1.243 0.753 0 C-N-CA 119.691 -0.803 . . . . 0.0 110.727 179.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -65.04 -42.13 94.58 Favored 'General case' 0 C--O 1.243 0.711 0 CA-C-O 122.139 0.971 . . . . 0.0 109.902 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -63.2 -41.0 99.1 Favored 'General case' 0 C--O 1.241 0.626 0 CA-C-N 114.854 -1.066 . . . . 0.0 109.82 178.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -60.36 -48.08 89.78 Favored 'Isoleucine or valine' 0 C--O 1.248 0.99 0 CA-C-N 113.689 -1.596 . . . . 0.0 110.174 -179.084 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 14.5 m -67.37 -34.88 71.6 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.544 0 C-N-CA 117.762 -1.575 . . . . 0.0 109.324 178.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 30.3 tp -56.24 -52.18 65.38 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 118.758 -1.177 . . . . 0.0 111.619 178.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.498 ' O ' ' OG1' ' B' ' 82' ' ' THR . 34.5 m -68.07 -36.61 76.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 118.413 -1.315 . . . . 0.0 111.828 -178.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.85 -49.28 59.69 Favored 'General case' 0 C--O 1.248 0.975 0 C-N-CA 118.975 -1.09 . . . . 0.0 112.3 -179.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.92 -39.86 95.85 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.446 ' N ' HD11 ' B' ' 81' ' ' LEU . 10.7 mp -65.06 -34.52 78.62 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 119.204 -0.998 . . . . 0.0 109.751 176.69 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.498 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 40.3 m -63.0 -49.95 72.66 Favored 'General case' 0 C--O 1.244 0.803 0 C-N-CA 119.678 -0.809 . . . . 0.0 111.438 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 13.7 p -64.21 -39.2 84.67 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 119.167 -1.013 . . . . 0.0 110.751 178.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . 0.574 ' O ' ' CD1' ' B' ' 88' ' ' PHE . . . -65.58 -30.58 71.33 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 121.13 0.491 . . . . 0.0 109.96 178.717 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 44.8 t -68.06 -54.45 18.22 Favored 'General case' 0 CA--C 1.511 -0.526 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.495 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 34.7 t30 -56.37 -41.13 75.67 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 118.713 -1.195 . . . . 0.0 108.697 178.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -59.5 -38.22 80.34 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.939 178.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.574 ' CD1' ' O ' ' B' ' 84' ' ' ALA . 4.5 m-30 -66.42 -41.14 89.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.866 179.423 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -64.59 -52.35 58.0 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.214 -0.594 . . . . 0.0 111.404 -179.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.604 ' CE3' ' OH ' ' A' ' 26' ' ' TYR . 22.9 t-105 -66.66 -39.33 88.13 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 121.153 0.501 . . . . 0.0 111.998 179.161 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.554 ' O ' ' O ' ' B' ' 88' ' ' PHE . 4.8 tm-20 -104.61 139.34 39.61 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.842 -176.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . 0.486 ' N ' ' OE1' ' B' ' 91' ' ' GLU . 23.6 m120 -105.77 137.91 42.85 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.454 179.609 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 2.1 t . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 117.988 -1.006 . . . . 0.0 110.563 -179.965 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 201' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.624 ' O ' ' N ' ' A' ' 3' ' ' GLU . . . . . . . . 0 CA--C 1.525 0.703 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 1' ' ' GLY . 72.7 m 34.82 24.65 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.652 0.263 . . . . 0.0 111.196 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.624 ' N ' ' O ' ' A' ' 1' ' ' GLY . 42.7 tp10 -59.16 -36.64 75.64 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-O 121.119 0.485 . . . . 0.0 109.743 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.403 ' CD1' ' OH ' ' B' ' 74' ' ' TYR . 4.8 tt -59.67 -39.82 85.73 Favored 'General case' 0 C--O 1.238 0.493 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 178.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.448 ' C ' ' OE1' ' A' ' 5' ' ' GLU . 5.6 tm-20 -61.63 -39.91 93.0 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 114.571 -1.195 . . . . 0.0 108.993 179.171 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 41.7 m -60.4 -40.84 92.37 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 108.96 -0.755 . . . . 0.0 108.96 178.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.07 -40.42 97.61 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 120.113 -0.635 . . . . 0.0 109.887 179.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 98.4 mtp -59.53 -41.28 89.64 Favored 'General case' 0 C--O 1.251 1.181 0 CA-C-O 122.133 0.968 . . . . 0.0 108.596 178.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -64.0 -35.44 80.72 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 114.63 -1.168 . . . . 0.0 109.662 177.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 73.6 m -63.86 -44.1 94.13 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 120.211 -0.596 . . . . 0.0 110.879 179.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 35.8 mt -62.18 -42.16 99.02 Favored 'General case' 0 C--O 1.239 0.538 0 C-N-CA 119.34 -0.944 . . . . 0.0 108.463 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.413 HG22 HD12 ' A' ' 12' ' ' ILE . 97.7 mt -61.76 -45.44 98.67 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.4 178.396 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -62.22 -41.98 98.88 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 -178.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.5 m -74.12 -41.24 51.91 Favored 'Isoleucine or valine' 0 C--O 1.253 1.288 0 C-N-CA 119.152 -1.019 . . . . 0.0 111.494 -179.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -60.82 -46.96 88.48 Favored 'General case' 0 CA--C 1.51 -0.586 0 C-N-CA 119.261 -0.976 . . . . 0.0 109.393 177.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -63.34 -35.69 81.23 Favored 'General case' 0 CA--C 1.5 -0.968 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.951 177.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.492 ' O ' ' HB2' ' A' ' 21' ' ' LYS . . . -57.75 -51.47 69.42 Favored 'General case' 0 N--CA 1.434 -1.266 0 C-N-CA 118.753 -1.179 . . . . 0.0 109.632 -178.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.491 ' CD2' ' HG ' ' A' ' 36' ' ' LEU . 29.9 m-70 -79.11 -52.5 8.1 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.486 ' OG ' ' O ' ' A' ' 24' ' ' ASP . 23.1 t -58.09 -40.72 81.84 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 119.232 -0.987 . . . . 0.0 109.222 -179.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -70.63 -43.62 59.78 Favored Glycine 0 C--N 1.345 1.072 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.137 178.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.492 ' HB2' ' O ' ' A' ' 17' ' ' ALA . 6.1 ttpm? -58.46 -42.38 87.32 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 119.816 -0.754 . . . . 0.0 111.317 -179.515 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.441 ' C ' ' OE2' ' A' ' 32' ' ' GLU . 77.2 mm-40 -129.97 150.17 51.37 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 120.808 -0.357 . . . . 0.0 111.63 179.21 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.97 -151.76 25.51 Favored Glycine 0 CA--C 1.524 0.64 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.949 178.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.486 ' O ' ' OG ' ' A' ' 19' ' ' SER . 89.2 m-20 -72.68 140.65 48.03 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 121.213 0.53 . . . . 0.0 110.434 179.407 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.446 ' C ' ' OG ' ' A' ' 19' ' ' SER . 47.9 mttm -61.37 -32.73 72.64 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.814 -178.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.603 ' OH ' ' CG ' ' B' ' 90' ' ' TRP . 98.6 m-85 -103.11 16.0 27.8 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.038 -0.983 . . . . 0.0 113.262 -175.437 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.426 ' CG ' ' OE2' ' A' ' 68' ' ' GLU . 41.1 tptt -143.01 141.85 31.45 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 119.148 -1.021 . . . . 0.0 108.841 179.135 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.7 tp -116.16 132.13 56.75 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 120.709 -0.396 . . . . 0.0 111.165 -176.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.2 t -101.86 160.59 14.35 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.827 -179.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.1 ttpt -52.46 -45.91 66.28 Favored 'General case' 0 CA--C 1.509 -0.597 0 C-N-CA 120.473 -0.491 . . . . 0.0 111.086 -178.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.4 ' HG3' ' N ' ' A' ' 32' ' ' GLU . 1.4 ptpm? -61.28 -40.97 96.11 Favored 'General case' 0 N--CA 1.436 -1.138 0 C-N-CA 119.695 -0.802 . . . . 0.0 110.01 -178.433 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.441 ' OE2' ' C ' ' A' ' 22' ' ' GLU . 94.4 mt-10 -70.48 -53.45 16.25 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 119.888 -0.725 . . . . 0.0 112.46 -178.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.6 pp -59.25 -36.76 76.08 Favored 'General case' 0 CA--C 1.5 -0.958 0 C-N-CA 119.578 -0.849 . . . . 0.0 110.758 -178.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.743 ' NZ ' HE21 ' A' ' 38' ' ' GLN . 14.7 tptp -56.42 -37.13 69.78 Favored 'General case' 0 N--CA 1.433 -1.296 0 C-N-CA 118.24 -1.384 . . . . 0.0 108.208 178.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.463 ' O ' ' CG2' ' A' ' 39' ' ' THR . 97.2 mt-10 -74.99 -40.15 60.84 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 179.259 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.491 ' HG ' ' CD2' ' A' ' 18' ' ' HIS . 4.2 tt -64.95 -45.06 87.3 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 119.75 -0.78 . . . . 0.0 111.025 -177.622 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.559 ' O ' ' O ' ' A' ' 41' ' ' LEU . 1.7 mm? -64.62 -43.53 93.46 Favored 'General case' 0 C--N 1.343 0.284 0 C-N-CA 118.962 -1.095 . . . . 0.0 111.065 179.645 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.743 HE21 ' NZ ' ' A' ' 34' ' ' LYS . 97.7 mt-30 -62.78 -38.55 91.07 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 120.207 -0.597 . . . . 0.0 111.174 179.378 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.463 ' CG2' ' O ' ' A' ' 35' ' ' GLU . 62.3 p -71.14 -33.36 70.0 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.556 -0.458 . . . . 0.0 111.268 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -102.15 -60.58 1.51 Allowed 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 113.075 0.769 . . . . 0.0 113.075 -179.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.559 ' O ' ' O ' ' A' ' 37' ' ' LEU . 52.2 mt -98.61 141.25 31.68 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.365 0.603 . . . . 0.0 111.727 -178.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.2 t -114.37 -57.89 2.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.519 179.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.58 -39.69 93.59 Favored Glycine 0 CA--C 1.531 1.033 0 CA-C-N 116.068 -0.515 . . . . 0.0 113.942 -178.258 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -62.79 -53.01 60.78 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 118.001 0.9 . . . . 0.0 112.604 -178.204 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -73.53 -39.37 64.82 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 120.386 -0.525 . . . . 0.0 111.639 178.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 58.7 t0 -60.73 -30.33 69.91 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.525 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.24 -29.68 61.37 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.123 -0.49 . . . . 0.0 112.035 -177.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.7 mm-40 -91.91 118.65 30.94 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 119.403 -0.919 . . . . 0.0 109.911 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.3 tttt -63.01 -39.39 94.61 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 -178.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -69.69 142.58 53.34 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -177.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.5 m -73.49 -27.26 23.2 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.087 178.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -76.41 -1.76 28.62 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.419 179.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.47 -37.17 69.95 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.026 -179.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.52 ' CG1' ' N ' ' A' ' 55' ' ' ASP . 7.2 p -59.99 -43.92 93.54 Favored 'Isoleucine or valine' 0 C--O 1.241 0.641 0 C-N-CA 120.001 -0.68 . . . . 0.0 110.038 178.651 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.52 ' N ' ' CG1' ' A' ' 54' ' ' VAL . 94.0 m-20 -61.01 -41.03 95.75 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.116 178.619 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -62.02 -38.08 87.3 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.86 178.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 76.3 t -65.57 -46.06 90.67 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.11 0 N-CA-C 112.984 0.735 . . . . 0.0 112.984 -178.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.537 ' CE ' ' O ' ' A' ' 67' ' ' GLY . 1.9 ptp -66.69 -34.83 78.73 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 119.235 -0.986 . . . . 0.0 113.224 -177.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 35.9 mmtt -58.93 -41.46 87.41 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 119.277 -0.969 . . . . 0.0 112.131 -178.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -66.17 -41.79 89.81 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.001 -0.68 . . . . 0.0 110.922 179.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 75.2 mt -68.94 -33.79 74.3 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.083 -0.962 . . . . 0.0 112.778 -179.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.658 ' OD2' ' N ' ' A' ' 66' ' ' ASP . 50.8 t0 -79.64 101.3 8.27 Favored 'General case' 0 C--N 1.316 -0.875 0 C-N-CA 119.795 -0.762 . . . . 0.0 112.924 -175.674 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -66.67 -46.23 76.36 Favored 'General case' 0 CA--C 1.51 -0.572 0 CA-C-O 122.713 1.244 . . . . 0.0 111.211 176.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -58.33 -33.67 69.76 Favored 'General case' 0 C--N 1.301 -1.543 0 CA-C-N 112.286 -2.234 . . . . 0.0 112.771 -177.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 84.95 16.42 65.29 Favored Glycine 0 CA--C 1.527 0.842 0 N-CA-C 108.689 -1.764 . . . . 0.0 108.689 -177.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.658 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 47.0 p30 -85.04 4.45 33.88 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 114.627 -0.786 . . . . 0.0 112.082 -179.075 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.618 ' N ' ' OD2' ' A' ' 62' ' ' ASP . . . 62.5 -4.27 0.68 Allowed Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.716 -0.954 . . . . 0.0 110.716 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.571 ' H ' ' C ' ' A' ' 66' ' ' ASP . 82.8 tt0 -110.43 143.44 40.73 Favored 'General case' 0 C--O 1.243 0.731 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 -179.606 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 62.0 t -100.02 135.1 37.19 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.753 0 CA-C-N 116.188 -0.46 . . . . 0.0 112.061 -176.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.55 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 52.9 t0 -99.59 159.33 15.12 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 121.312 0.577 . . . . 0.0 111.238 -179.304 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.55 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 1.0 OUTLIER -50.73 -44.34 58.28 Favored 'General case' 0 C--O 1.22 -0.488 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.76 -178.528 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -61.6 -40.56 95.22 Favored 'General case' 0 C--O 1.244 0.797 0 C-N-CA 119.752 -0.779 . . . . 0.0 110.763 179.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -64.81 -42.15 95.23 Favored 'General case' 0 C--O 1.242 0.7 0 CA-C-O 122.229 1.014 . . . . 0.0 110.0 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -63.21 -41.05 99.1 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-N 114.718 -1.128 . . . . 0.0 109.816 178.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -59.96 -48.16 88.88 Favored 'Isoleucine or valine' 0 C--O 1.248 1.003 0 CA-C-N 113.589 -1.641 . . . . 0.0 110.132 -179.138 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 15.3 m -67.26 -35.15 73.16 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.563 0 C-N-CA 117.83 -1.548 . . . . 0.0 109.406 178.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 33.1 tp -56.3 -51.97 66.25 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 118.813 -1.155 . . . . 0.0 111.861 178.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.495 ' O ' ' OG1' ' A' ' 82' ' ' THR . 34.4 m -68.75 -36.2 73.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 C-N-CA 118.415 -1.314 . . . . 0.0 111.952 -178.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.73 -48.79 62.92 Favored 'General case' 0 C--O 1.249 1.048 0 C-N-CA 118.951 -1.1 . . . . 0.0 112.108 -179.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.89 -40.44 97.55 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 179.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.422 HD11 ' N ' ' A' ' 81' ' ' LEU . 10.6 mp -65.37 -33.81 76.84 Favored 'General case' 0 C--O 1.216 -0.692 0 C-N-CA 119.141 -1.024 . . . . 0.0 109.913 176.745 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.495 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 43.9 m -62.81 -50.18 72.02 Favored 'General case' 0 C--O 1.247 0.931 0 C-N-CA 119.646 -0.822 . . . . 0.0 111.171 179.359 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.9 p -63.59 -39.41 85.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.575 0 C-N-CA 118.942 -1.103 . . . . 0.0 110.66 178.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.428 ' O ' ' CD2' ' A' ' 88' ' ' PHE . . . -64.62 -33.78 76.73 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 121.145 0.498 . . . . 0.0 109.826 178.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 47.3 t -63.54 -54.13 41.05 Favored 'General case' 0 CA--C 1.506 -0.72 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.242 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -55.86 -40.47 72.95 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 118.484 -1.286 . . . . 0.0 108.62 178.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.677 ' O ' ' HB2' ' A' ' 91' ' ' GLU . 2.9 m120 -59.89 -41.96 92.76 Favored 'General case' 0 C--O 1.202 -1.445 0 C-N-CA 120.162 -0.615 . . . . 0.0 110.55 178.539 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.533 ' O ' ' O ' ' A' ' 91' ' ' GLU . 76.1 m-85 -66.78 -35.39 79.96 Favored 'General case' 0 C--N 1.31 -1.139 0 C-N-CA 117.198 -1.801 . . . . 0.0 110.696 178.72 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -64.68 -61.5 2.15 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 119.657 -0.817 . . . . 0.0 111.832 -178.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.615 ' CG ' ' OH ' ' B' ' 26' ' ' TYR . 17.8 t-105 -69.43 -43.59 73.03 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.691 0.757 . . . . 0.0 111.433 178.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.677 ' HB2' ' O ' ' A' ' 87' ' ' ASN . 96.2 mt-10 -99.51 148.59 24.1 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 114.344 -1.298 . . . . 0.0 111.475 -178.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -104.7 137.79 41.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.549 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.0 m . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 118.054 -0.974 . . . . 0.0 110.5 179.985 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . 0.628 ' O ' ' N ' ' B' ' 3' ' ' GLU . . . . . . . . 0 CA--C 1.523 0.588 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.412 ' C ' ' O ' ' B' ' 1' ' ' GLY . 72.9 m 34.78 24.68 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.617 0.246 . . . . 0.0 111.18 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.628 ' N ' ' O ' ' B' ' 1' ' ' GLY . 42.5 tp10 -59.08 -36.72 75.57 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-O 121.071 0.462 . . . . 0.0 109.757 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 4.8 tt -59.7 -39.82 85.85 Favored 'General case' 0 C--O 1.238 0.448 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 178.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.459 ' OE1' ' C ' ' B' ' 5' ' ' GLU . 5.6 tm-20 -61.64 -39.88 92.9 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 114.548 -1.205 . . . . 0.0 108.99 179.177 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 41.2 m -60.37 -40.76 91.97 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 178.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.11 -40.51 97.84 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.915 179.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 98.5 mtp -59.47 -41.25 89.3 Favored 'General case' 0 C--O 1.252 1.236 0 CA-C-O 122.088 0.947 . . . . 0.0 108.652 178.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -64.0 -36.0 82.56 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 114.704 -1.134 . . . . 0.0 109.533 177.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 71.0 m -63.22 -44.24 95.85 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 120.143 -0.623 . . . . 0.0 111.071 179.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 40.4 mt -62.19 -42.14 99.0 Favored 'General case' 0 C--O 1.24 0.56 0 C-N-CA 119.276 -0.97 . . . . 0.0 108.422 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.7 mt -61.71 -45.44 98.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.518 178.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -62.21 -41.89 98.8 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 -178.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 15.6 m -74.11 -41.34 51.93 Favored 'Isoleucine or valine' 0 C--O 1.253 1.258 0 C-N-CA 119.256 -0.977 . . . . 0.0 111.432 -179.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -60.77 -47.05 88.09 Favored 'General case' 0 CA--C 1.512 -0.51 0 C-N-CA 119.257 -0.977 . . . . 0.0 109.397 177.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -63.17 -35.79 81.49 Favored 'General case' 0 CA--C 1.501 -0.932 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.973 177.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.492 ' O ' ' HB2' ' B' ' 21' ' ' LYS . . . -57.73 -51.5 69.29 Favored 'General case' 0 N--CA 1.434 -1.272 0 C-N-CA 118.721 -1.191 . . . . 0.0 109.63 -178.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.495 ' CD2' ' HG ' ' B' ' 36' ' ' LEU . 30.0 m-70 -78.9 -52.66 7.98 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 114.603 1.334 . . . . 0.0 114.603 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.487 ' OG ' ' O ' ' B' ' 24' ' ' ASP . 23.1 t -58.09 -40.76 81.95 Favored 'General case' 0 C--O 1.233 0.209 0 C-N-CA 119.17 -1.012 . . . . 0.0 109.229 -178.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -70.6 -43.62 60.0 Favored Glycine 0 C--N 1.344 1.002 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.031 178.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.492 ' HB2' ' O ' ' B' ' 17' ' ' ALA . 6.0 ttpm? -58.6 -42.33 87.85 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 119.854 -0.738 . . . . 0.0 111.259 -179.413 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.443 ' C ' ' OE2' ' B' ' 32' ' ' GLU . 77.3 mm-40 -129.97 150.04 51.42 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 120.818 -0.353 . . . . 0.0 111.749 179.16 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.98 -151.73 25.61 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.892 -0.483 . . . . 0.0 111.892 178.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.487 ' O ' ' OG ' ' B' ' 19' ' ' SER . 89.2 m-20 -72.63 140.51 48.02 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.155 0.502 . . . . 0.0 110.514 179.425 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.451 ' C ' ' OG ' ' B' ' 19' ' ' SER . 47.9 mttm -61.31 -32.73 72.59 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.853 -178.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.615 ' OH ' ' CG ' ' A' ' 90' ' ' TRP . 98.6 m-85 -103.05 15.98 27.91 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.016 -0.993 . . . . 0.0 113.247 -175.511 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.416 ' CG ' ' OE2' ' B' ' 68' ' ' GLU . 41.7 tptt -142.94 141.87 31.56 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 119.133 -1.027 . . . . 0.0 108.874 179.146 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 12.7 tp -116.19 132.09 56.76 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 120.641 -0.424 . . . . 0.0 111.13 -176.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 25.9 t -101.81 160.53 14.4 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 -179.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 22.1 ttpt -52.37 -45.94 65.99 Favored 'General case' 0 CA--C 1.51 -0.594 0 C-N-CA 120.476 -0.49 . . . . 0.0 111.111 -178.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.407 ' HG3' ' N ' ' B' ' 32' ' ' GLU . 1.4 ptpm? -61.38 -40.86 95.9 Favored 'General case' 0 N--CA 1.437 -1.09 0 C-N-CA 119.668 -0.813 . . . . 0.0 109.967 -178.395 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.443 ' OE2' ' C ' ' B' ' 22' ' ' GLU . 94.4 mt-10 -70.61 -53.33 16.34 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 119.99 -0.684 . . . . 0.0 112.417 -178.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 2.6 pp -59.33 -36.8 76.32 Favored 'General case' 0 CA--C 1.501 -0.923 0 C-N-CA 119.553 -0.859 . . . . 0.0 110.814 -178.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.733 ' NZ ' HE21 ' B' ' 38' ' ' GLN . 14.7 tptp -56.35 -37.07 69.52 Favored 'General case' 0 N--CA 1.433 -1.297 0 C-N-CA 118.085 -1.446 . . . . 0.0 108.306 178.703 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.463 ' O ' ' CG2' ' B' ' 39' ' ' THR . 97.3 mt-10 -75.05 -40.1 60.55 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 179.269 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.495 ' HG ' ' CD2' ' B' ' 18' ' ' HIS . 4.2 tt -64.97 -45.13 86.95 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 119.805 -0.758 . . . . 0.0 110.961 -177.594 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.565 ' O ' ' O ' ' B' ' 41' ' ' LEU . 1.7 mm? -64.54 -43.58 93.55 Favored 'General case' 0 C--N 1.343 0.287 0 C-N-CA 118.937 -1.105 . . . . 0.0 111.13 179.642 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.733 HE21 ' NZ ' ' B' ' 34' ' ' LYS . 97.8 mt-30 -62.78 -38.53 90.98 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 120.212 -0.595 . . . . 0.0 111.16 179.394 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.463 ' CG2' ' O ' ' B' ' 35' ' ' GLU . 63.6 p -71.16 -33.26 69.86 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.53 -0.468 . . . . 0.0 111.33 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -102.21 -60.63 1.51 Allowed 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 -179.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.565 ' O ' ' O ' ' B' ' 37' ' ' LEU . 51.9 mt -98.63 141.29 31.64 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.306 0.574 . . . . 0.0 111.805 -178.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 4.3 t -114.38 -57.92 2.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.457 179.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.55 -39.74 93.59 Favored Glycine 0 CA--C 1.531 1.052 0 CA-C-N 116.044 -0.526 . . . . 0.0 113.969 -178.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -62.78 -53.02 60.67 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 117.935 0.868 . . . . 0.0 112.564 -178.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -73.42 -39.39 65.05 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 120.368 -0.533 . . . . 0.0 111.695 178.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -60.7 -30.35 69.9 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.485 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.27 -29.7 61.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.072 -0.513 . . . . 0.0 112.0 -177.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 89.7 mm-40 -91.9 118.65 30.93 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 119.43 -0.908 . . . . 0.0 109.974 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 64.5 tttt -62.97 -39.41 94.62 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 113.918 1.081 . . . . 0.0 113.918 -178.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -69.7 142.5 53.33 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 -177.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 4.4 m -73.41 -27.28 23.4 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.127 178.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -76.3 -1.82 28.54 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.106 -0.952 . . . . 0.0 109.411 179.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.38 -37.31 69.92 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.97 -179.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.513 ' CG1' ' N ' ' B' ' 55' ' ' ASP . 7.2 p -60.0 -43.92 93.57 Favored 'Isoleucine or valine' 0 C--O 1.241 0.612 0 C-N-CA 120.005 -0.678 . . . . 0.0 110.007 178.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.513 ' N ' ' CG1' ' B' ' 54' ' ' VAL . 93.9 m-20 -61.02 -41.0 95.71 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.185 178.582 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -62.13 -37.9 86.92 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.884 178.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 76.3 t -65.72 -45.98 90.39 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.1 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 -178.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' MET . . . . . 0.541 ' CE ' ' O ' ' B' ' 67' ' ' GLY . 1.9 ptp -66.65 -34.88 78.84 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 119.271 -0.972 . . . . 0.0 113.21 -178.026 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 36.0 mmtt -58.93 -41.47 87.43 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 119.306 -0.958 . . . . 0.0 112.141 -178.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -66.22 -41.69 89.72 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.012 -0.675 . . . . 0.0 110.923 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 74.8 mt -69.05 -33.82 74.19 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.089 -0.959 . . . . 0.0 112.716 -179.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.648 ' OD2' ' N ' ' B' ' 66' ' ' ASP . 50.7 t0 -79.58 101.35 8.25 Favored 'General case' 0 C--N 1.316 -0.862 0 C-N-CA 119.767 -0.773 . . . . 0.0 112.961 -175.733 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -66.73 -46.22 76.16 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-O 122.669 1.223 . . . . 0.0 111.224 176.016 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -58.3 -33.63 69.67 Favored 'General case' 0 C--N 1.3 -1.564 0 CA-C-N 112.322 -2.217 . . . . 0.0 112.814 -177.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 84.88 16.46 65.38 Favored Glycine 0 CA--C 1.527 0.818 0 N-CA-C 108.734 -1.746 . . . . 0.0 108.734 -177.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.648 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 47.1 p30 -85.08 4.46 34.0 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 114.595 -0.803 . . . . 0.0 112.062 -179.083 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.624 ' N ' ' OD2' ' B' ' 62' ' ' ASP . . . 62.53 -4.2 0.71 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.677 -0.969 . . . . 0.0 110.677 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.583 ' H ' ' C ' ' B' ' 66' ' ' ASP . 82.7 tt0 -110.43 143.54 40.58 Favored 'General case' 0 C--O 1.243 0.716 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 -179.665 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 61.2 t -100.13 135.2 36.94 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.677 0 CA-C-N 116.185 -0.461 . . . . 0.0 112.058 -176.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.548 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 51.9 t0 -99.14 159.27 15.1 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-O 121.187 0.518 . . . . 0.0 111.293 -179.314 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.548 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 1.0 OUTLIER -50.85 -44.37 59.43 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.726 -178.834 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -61.6 -40.62 95.45 Favored 'General case' 0 C--O 1.245 0.817 0 C-N-CA 119.764 -0.774 . . . . 0.0 110.68 179.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -64.82 -42.15 95.21 Favored 'General case' 0 C--O 1.243 0.711 0 CA-C-O 122.172 0.986 . . . . 0.0 109.998 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . 0.403 ' OH ' ' CD1' ' A' ' 4' ' ' LEU . 60.9 t80 -63.12 -41.02 99.25 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-N 114.78 -1.1 . . . . 0.0 109.868 178.317 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -60.04 -48.2 88.84 Favored 'Isoleucine or valine' 0 C--O 1.248 1.003 0 CA-C-N 113.584 -1.644 . . . . 0.0 110.063 -179.079 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 15.3 m -67.14 -35.18 73.62 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.503 0 C-N-CA 117.789 -1.564 . . . . 0.0 109.435 178.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 32.7 tp -56.33 -51.98 66.25 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 118.744 -1.182 . . . . 0.0 111.823 178.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.491 ' O ' ' OG1' ' B' ' 82' ' ' THR . 34.4 m -68.73 -36.17 73.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 118.357 -1.337 . . . . 0.0 111.932 -178.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.73 -48.9 62.63 Favored 'General case' 0 C--O 1.25 1.126 0 C-N-CA 118.922 -1.111 . . . . 0.0 112.041 -179.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.8 -40.39 97.19 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.423 ' N ' HD11 ' B' ' 81' ' ' LEU . 10.5 mp -65.36 -34.02 77.34 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 119.146 -1.022 . . . . 0.0 109.853 176.718 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.491 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 44.3 m -62.69 -50.06 72.65 Favored 'General case' 0 C--O 1.246 0.895 0 C-N-CA 119.638 -0.825 . . . . 0.0 111.21 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 14.0 p -63.61 -39.41 85.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 118.972 -1.091 . . . . 0.0 110.612 178.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . 0.43 ' O ' ' CD2' ' B' ' 88' ' ' PHE . . . -64.76 -33.79 76.81 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 121.075 0.464 . . . . 0.0 109.78 178.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 47.6 t -63.39 -54.23 39.99 Favored 'General case' 0 CA--C 1.507 -0.679 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.208 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -55.8 -40.48 72.79 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 118.451 -1.3 . . . . 0.0 108.631 178.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . 0.664 ' O ' ' HB2' ' B' ' 91' ' ' GLU . 2.9 m120 -59.89 -41.97 92.78 Favored 'General case' 0 C--O 1.202 -1.43 0 C-N-CA 120.166 -0.614 . . . . 0.0 110.586 178.544 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.531 ' O ' ' O ' ' B' ' 91' ' ' GLU . 76.4 m-85 -66.75 -35.37 79.94 Favored 'General case' 0 C--N 1.309 -1.163 0 C-N-CA 117.199 -1.801 . . . . 0.0 110.745 178.673 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -64.7 -61.61 2.09 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 119.693 -0.803 . . . . 0.0 111.846 -178.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.603 ' CG ' ' OH ' ' A' ' 26' ' ' TYR . 17.8 t-105 -69.34 -43.6 73.34 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.735 0.778 . . . . 0.0 111.462 178.759 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.664 ' HB2' ' O ' ' B' ' 87' ' ' ASN . 96.2 mt-10 -99.53 148.59 24.12 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.326 -1.306 . . . . 0.0 111.472 -178.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -104.7 137.77 42.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.517 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 3.0 m . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.018 -0.991 . . . . 0.0 110.545 179.99 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 201' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.563 ' O ' ' OE1' ' B' ' 40' ' ' GLU . . . . . . . . 0 CA--C 1.524 0.638 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.9 p -69.22 -14.55 63.03 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.611 0.243 . . . . 0.0 110.845 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -60.4 -39.33 86.96 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 -177.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.9 tt -62.31 -41.98 98.99 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 117.85 -1.54 . . . . 0.0 107.671 -179.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.409 ' OE2' ' CD2' ' B' ' 41' ' ' LEU . 72.6 mm-40 -66.27 -36.47 83.07 Favored 'General case' 0 C--O 1.219 -0.506 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.797 177.601 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.0 m -58.55 -41.27 85.21 Favored 'General case' 0 C--O 1.237 0.433 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 179.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.75 -46.42 82.25 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.464 179.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 99.4 mtp -58.87 -40.89 85.69 Favored 'General case' 0 C--O 1.247 0.926 0 CA-C-O 121.63 0.729 . . . . 0.0 109.709 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.44 -36.02 82.66 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.168 177.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 52.7 m -63.68 -42.61 98.0 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 119.359 -0.936 . . . . 0.0 109.712 179.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 43.2 mt -61.03 -43.27 99.13 Favored 'General case' 0 C--O 1.241 0.61 0 C-N-CA 119.347 -0.941 . . . . 0.0 108.753 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.439 HG21 HD11 ' A' ' 12' ' ' ILE . 97.5 mt -61.51 -45.71 98.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.21 178.722 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -62.22 -41.63 98.56 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -178.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.9 m -73.57 -41.28 55.78 Favored 'Isoleucine or valine' 0 C--O 1.253 1.282 0 C-N-CA 119.169 -1.012 . . . . 0.0 111.383 -179.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -60.47 -47.94 83.95 Favored 'General case' 0 CA--C 1.509 -0.603 0 C-N-CA 119.2 -1.0 . . . . 0.0 110.027 177.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -65.21 -34.63 78.82 Favored 'General case' 0 CA--C 1.502 -0.871 0 CA-C-N 115.547 -0.752 . . . . 0.0 110.524 178.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.54 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . -58.28 -52.35 65.95 Favored 'General case' 0 N--CA 1.437 -1.117 0 C-N-CA 118.763 -1.175 . . . . 0.0 110.031 -178.6 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.442 ' CD2' ' HG ' ' A' ' 36' ' ' LEU . 17.4 m-70 -78.89 -48.12 15.22 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 118.846 -1.142 . . . . 0.0 113.815 -179.682 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.3 t -59.0 -44.01 91.58 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 119.278 -0.969 . . . . 0.0 110.468 -179.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -73.28 -44.56 34.22 Favored Glycine 0 CA--C 1.525 0.685 0 C-N-CA 120.744 -0.741 . . . . 0.0 111.697 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.54 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 7.5 ttpm? -59.42 -39.64 84.12 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 -179.178 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.477 ' C ' ' OE2' ' A' ' 32' ' ' GLU . 96.6 mt-10 -119.75 146.32 45.76 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 -178.404 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 51.66 -140.35 25.59 Favored Glycine 0 C--N 1.334 0.441 0 CA-C-N 114.769 -1.105 . . . . 0.0 112.582 177.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -70.52 146.69 50.03 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 114.952 -0.624 . . . . 0.0 110.094 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.8 mtmm -86.35 150.55 24.24 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.597 ' OH ' ' CE3' ' B' ' 90' ' ' TRP . 89.0 m-85 61.06 13.46 4.67 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.5 tptt -138.01 132.33 32.06 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 106.183 -1.784 . . . . 0.0 106.183 175.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.8 tp -110.99 128.27 55.79 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 120.069 -0.653 . . . . 0.0 110.677 -176.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 78.8 p -99.81 164.87 11.84 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.0 ttpt -55.41 -47.85 75.28 Favored 'General case' 0 C--O 1.241 0.657 0 C-N-CA 120.273 -0.571 . . . . 0.0 112.065 -177.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 32' ' ' GLU . 14.6 ptpt -61.87 -41.4 97.81 Favored 'General case' 0 N--CA 1.442 -0.871 0 C-N-CA 119.61 -0.836 . . . . 0.0 110.191 -178.034 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.477 ' OE2' ' C ' ' A' ' 22' ' ' GLU . 97.4 mt-10 -67.43 -46.63 72.56 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 120.124 -0.631 . . . . 0.0 112.175 -179.32 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.38 -33.65 75.15 Favored 'General case' 0 CA--C 1.5 -0.946 0 C-N-CA 118.338 -1.345 . . . . 0.0 109.046 179.554 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.528 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 0.4 OUTLIER -54.17 -37.39 64.41 Favored 'General case' 0 N--CA 1.437 -1.122 0 C-N-CA 117.938 -1.505 . . . . 0.0 108.029 178.029 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -75.52 -42.93 51.36 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 112.921 0.711 . . . . 0.0 112.921 179.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.442 ' HG ' ' CD2' ' A' ' 18' ' ' HIS . 1.0 OUTLIER -65.27 -45.97 82.37 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 120.338 -0.545 . . . . 0.0 111.44 -177.326 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.576 ' CD2' ' N ' ' A' ' 37' ' ' LEU . 0.8 OUTLIER -64.25 -42.62 96.42 Favored 'General case' 0 CA--C 1.52 -0.184 0 C-N-CA 119.116 -1.033 . . . . 0.0 111.191 -179.747 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.528 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 27.4 mt-30 -65.0 -39.54 93.6 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.317 -0.553 . . . . 0.0 112.069 179.504 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 82.6 p -70.29 -40.03 74.52 Favored 'General case' 0 CA--C 1.523 -0.064 0 C-N-CA 119.676 -0.81 . . . . 0.0 111.707 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.564 ' OE1' ' O ' ' B' ' 1' ' ' GLY . 81.2 mm-40 -89.65 -47.48 7.92 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.397 -0.521 . . . . 0.0 111.287 179.186 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.567 ' N ' ' O ' ' A' ' 37' ' ' LEU . 29.4 mt -107.8 141.98 38.53 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 121.144 0.497 . . . . 0.0 111.433 -179.436 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.4 m -112.5 -68.55 0.92 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.384 178.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.87 -37.41 90.66 Favored Glycine 0 CA--C 1.533 1.172 0 CA-C-N 115.506 -0.77 . . . . 0.0 114.263 -178.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -59.79 -53.74 54.44 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 118.203 1.001 . . . . 0.0 112.565 -177.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -75.6 -38.8 58.75 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 120.343 -0.543 . . . . 0.0 111.216 178.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -60.58 -28.85 68.8 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.404 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.2 -28.6 54.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.147 -0.479 . . . . 0.0 112.095 -177.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 90.4 mm-40 -88.82 120.59 30.37 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 119.341 -0.944 . . . . 0.0 109.842 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -63.04 -36.06 82.31 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 113.75 1.018 . . . . 0.0 113.75 -179.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -70.01 142.01 52.83 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -177.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.4 m -74.13 -27.95 22.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.526 178.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -82.38 3.23 28.75 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 115.322 -0.853 . . . . 0.0 109.621 179.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.09 -38.03 72.76 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.27 -179.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.526 ' CG1' ' N ' ' A' ' 55' ' ' ASP . 8.7 p -60.53 -42.85 92.96 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 C-N-CA 119.807 -0.757 . . . . 0.0 109.951 178.745 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.526 ' N ' ' CG1' ' A' ' 54' ' ' VAL . 56.2 t0 -61.42 -42.28 98.49 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 179.131 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 44.4 mttm -61.97 -39.6 92.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.747 179.129 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 79.6 t -65.92 -45.7 90.41 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.119 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -179.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.6 ppp? -65.96 -33.96 77.0 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 -177.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 29.2 mmtm -60.05 -39.75 87.03 Favored 'General case' 0 CA--C 1.52 -0.19 0 C-N-CA 119.022 -1.071 . . . . 0.0 110.33 179.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -64.14 -39.58 94.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.176 0.512 . . . . 0.0 110.665 178.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.435 ' O ' ' OE1' ' A' ' 73' ' ' GLU . 75.8 mt -68.09 -35.39 78.09 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-N 115.466 -0.788 . . . . 0.0 112.313 -179.26 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -71.48 73.15 0.73 Allowed 'General case' 0 N--CA 1.446 -0.668 0 C-N-CA 118.521 -1.271 . . . . 0.0 110.487 -178.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -63.66 -38.09 89.82 Favored 'General case' 0 CA--C 1.498 -1.041 0 N-CA-C 106.959 -1.497 . . . . 0.0 106.959 176.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.482 ' OD1' ' OD2' ' A' ' 66' ' ' ASP . 17.4 t-20 -58.12 -39.7 79.35 Favored 'General case' 0 N--CA 1.43 -1.47 0 CA-C-N 111.617 -2.538 . . . . 0.0 111.34 178.553 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 79.79 19.66 70.07 Favored Glycine 0 CA--C 1.53 0.97 0 C-N-CA 121.469 -0.396 . . . . 0.0 112.803 178.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.491 ' O ' ' OE1' ' A' ' 68' ' ' GLU . 54.0 p30 -89.37 2.37 54.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 117.539 0.67 . . . . 0.0 112.649 -179.654 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 88.32 -5.11 85.14 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.38 -1.088 . . . . 0.0 110.38 179.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.491 ' OE1' ' O ' ' A' ' 66' ' ' ASP . 53.7 mp0 -121.21 160.42 23.87 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.005 -0.597 . . . . 0.0 110.629 179.335 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 38.5 t -104.68 129.57 56.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 105.625 -1.991 . . . . 0.0 105.625 176.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.511 ' C ' ' OD1' ' A' ' 70' ' ' ASP . 16.8 p30 -100.62 170.93 8.03 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 119.307 -0.957 . . . . 0.0 110.547 -177.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -53.55 -44.84 69.59 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.934 -178.48 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -61.77 -40.29 94.65 Favored 'General case' 0 C--O 1.242 0.707 0 C-N-CA 120.165 -0.614 . . . . 0.0 111.706 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.435 ' OE1' ' O ' ' A' ' 61' ' ' LEU . 77.5 mt-10 -64.57 -42.84 95.39 Favored 'General case' 0 C--O 1.242 0.69 0 CA-C-O 122.291 1.043 . . . . 0.0 109.689 179.741 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.408 ' CE1' HD13 ' A' ' 36' ' ' LEU . 69.5 t80 -63.25 -41.24 99.04 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-N 114.448 -1.251 . . . . 0.0 110.173 178.617 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -59.91 -47.63 90.86 Favored 'Isoleucine or valine' 0 C--O 1.247 0.958 0 CA-C-N 113.75 -1.568 . . . . 0.0 110.054 -179.018 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 16.4 m -67.45 -35.1 72.42 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 C-N-CA 117.875 -1.53 . . . . 0.0 109.323 178.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 30.6 tp -56.92 -50.39 72.72 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 118.741 -1.184 . . . . 0.0 111.857 178.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.463 ' O ' ' OG1' ' A' ' 82' ' ' THR . 35.6 m -68.98 -35.93 71.5 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 C-N-CA 118.606 -1.238 . . . . 0.0 111.676 -179.263 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.42 -48.59 64.24 Favored 'General case' 0 C--O 1.248 0.998 0 C-N-CA 119.081 -1.047 . . . . 0.0 111.805 -179.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.412 ' O ' HG11 ' A' ' 83' ' ' VAL . . . -63.24 -39.57 94.99 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 179.601 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 9.2 mp -65.08 -34.47 78.5 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 119.376 -0.93 . . . . 0.0 109.733 176.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.463 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 37.1 m -63.43 -50.21 70.68 Favored 'General case' 0 C--O 1.247 0.948 0 C-N-CA 119.823 -0.751 . . . . 0.0 111.441 179.613 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.412 HG11 ' O ' ' A' ' 80' ' ' ALA . 13.9 p -63.3 -38.81 83.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 C-N-CA 119.144 -1.022 . . . . 0.0 110.582 178.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.42 ' O ' ' CD2' ' A' ' 88' ' ' PHE . . . -65.27 -35.36 80.79 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 120.326 -0.549 . . . . 0.0 109.926 178.746 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 9.1 t -61.71 -54.99 35.16 Favored 'General case' 0 CA--C 1.507 -0.677 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.259 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 33.8 t30 -56.87 -39.0 73.53 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 118.797 -1.161 . . . . 0.0 108.972 178.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 34.8 t30 -57.77 -41.65 82.45 Favored 'General case' 0 C--O 1.219 -0.512 0 C-N-CA 120.127 -0.629 . . . . 0.0 110.43 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.446 ' O ' ' CB ' ' A' ' 92' ' ' ASN . 70.5 m-85 -67.99 -41.0 82.96 Favored 'General case' 0 C--O 1.226 -0.134 0 C-N-CA 119.546 -0.861 . . . . 0.0 110.867 178.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -58.78 -45.41 89.9 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.282 -0.567 . . . . 0.0 111.477 -179.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.588 ' CE3' ' OH ' ' B' ' 26' ' ' TYR . 16.1 t-105 -85.65 -58.51 2.63 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 -179.491 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.453 ' C ' ' OE1' ' A' ' 91' ' ' GLU . 7.6 tm-20 -61.35 -37.16 82.32 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 113.407 0.892 . . . . 0.0 113.407 -176.744 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.446 ' CB ' ' O ' ' A' ' 88' ' ' PHE . 53.4 t-20 -56.99 -36.7 70.68 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 119.91 -0.716 . . . . 0.0 110.657 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 32.3 t . . . . . 0 C--O 1.219 -0.52 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.476 -179.927 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . 0.564 ' O ' ' OE1' ' A' ' 40' ' ' GLU . . . . . . . . 0 CA--C 1.524 0.639 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 82.7 p -69.2 -14.57 63.05 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.679 -0.261 . . . . 0.0 110.874 179.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -60.4 -39.26 86.7 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 -177.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 5.9 tt -62.32 -42.05 99.05 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 117.913 -1.515 . . . . 0.0 107.642 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -66.24 -36.56 83.32 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.825 177.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 43.6 m -58.5 -41.09 84.56 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 179.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.04 -46.3 81.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.416 179.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 99.3 mtp -58.91 -40.87 85.8 Favored 'General case' 0 C--O 1.246 0.897 0 CA-C-O 121.635 0.731 . . . . 0.0 109.824 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.36 -36.84 85.24 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.04 177.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 48.7 m -62.75 -42.9 99.89 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 119.375 -0.93 . . . . 0.0 109.901 178.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 49.1 mt -61.14 -43.05 99.49 Favored 'General case' 0 C--O 1.241 0.64 0 C-N-CA 119.283 -0.967 . . . . 0.0 108.797 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.4 mt -61.58 -45.5 98.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.344 178.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -62.36 -41.58 98.72 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -178.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 14.6 m -73.53 -41.29 56.06 Favored 'Isoleucine or valine' 0 C--O 1.253 1.246 0 C-N-CA 119.26 -0.976 . . . . 0.0 111.411 -179.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -60.55 -48.0 83.72 Favored 'General case' 0 CA--C 1.509 -0.618 0 C-N-CA 119.156 -1.018 . . . . 0.0 109.984 177.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -65.15 -34.63 78.85 Favored 'General case' 0 CA--C 1.503 -0.859 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.436 178.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.545 ' O ' ' CB ' ' B' ' 21' ' ' LYS . . . -58.3 -52.38 65.82 Favored 'General case' 0 N--CA 1.436 -1.147 0 C-N-CA 118.76 -1.176 . . . . 0.0 110.078 -178.62 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.456 ' CD2' ' HG ' ' B' ' 36' ' ' LEU . 17.3 m-70 -78.82 -48.13 15.35 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 118.855 -1.138 . . . . 0.0 113.896 -179.728 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.401 ' HG ' ' N ' ' B' ' 27' ' ' LYS . 41.8 t -59.1 -43.89 91.9 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 119.248 -0.981 . . . . 0.0 110.53 -179.367 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -73.31 -44.62 33.77 Favored Glycine 0 CA--C 1.526 0.735 0 C-N-CA 120.831 -0.699 . . . . 0.0 111.647 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.545 ' CB ' ' O ' ' B' ' 17' ' ' ALA . 7.5 ttpm? -59.41 -39.62 84.01 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 -179.178 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.48 ' C ' ' OE2' ' B' ' 32' ' ' GLU . 96.7 mt-10 -119.75 146.36 45.72 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 -178.426 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 51.63 -140.23 25.71 Favored Glycine 0 CA--C 1.521 0.45 0 CA-C-N 114.891 -1.05 . . . . 0.0 112.693 177.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -70.69 146.7 49.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 114.956 -0.622 . . . . 0.0 110.046 179.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 26.8 mtmm -86.26 150.45 24.35 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.588 ' OH ' ' CE3' ' A' ' 90' ' ' TRP . 89.1 m-85 61.18 13.37 4.73 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.401 ' N ' ' HG ' ' B' ' 19' ' ' SER . 14.2 tptt -138.0 132.49 32.33 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 106.153 -1.795 . . . . 0.0 106.153 175.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 15.8 tp -111.14 128.17 55.81 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 120.077 -0.649 . . . . 0.0 110.714 -176.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 78.7 p -99.75 164.9 11.84 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 17.0 ttpt -55.46 -47.9 75.36 Favored 'General case' 0 C--O 1.242 0.695 0 C-N-CA 120.203 -0.599 . . . . 0.0 112.071 -177.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' B' ' 32' ' ' GLU . 14.6 ptpt -61.69 -41.48 97.64 Favored 'General case' 0 N--CA 1.442 -0.85 0 C-N-CA 119.671 -0.812 . . . . 0.0 110.266 -178.104 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.48 ' OE2' ' C ' ' B' ' 22' ' ' GLU . 97.3 mt-10 -67.39 -46.64 72.66 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 120.228 -0.589 . . . . 0.0 112.204 -179.335 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.39 -33.58 75.03 Favored 'General case' 0 CA--C 1.5 -0.956 0 C-N-CA 118.346 -1.342 . . . . 0.0 109.121 179.498 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.535 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 0.4 OUTLIER -54.33 -37.39 64.81 Favored 'General case' 0 N--CA 1.437 -1.088 0 C-N-CA 117.897 -1.521 . . . . 0.0 107.944 178.08 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -75.56 -42.83 51.24 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 179.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.456 ' HG ' ' CD2' ' B' ' 18' ' ' HIS . 1.1 tt -65.21 -45.95 82.65 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 120.37 -0.532 . . . . 0.0 111.539 -177.413 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.581 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 0.8 OUTLIER -64.3 -42.59 96.28 Favored 'General case' 0 CA--C 1.521 -0.142 0 C-N-CA 119.098 -1.041 . . . . 0.0 111.211 -179.798 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.535 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 27.4 mt-30 -64.96 -39.56 93.68 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.3 -0.56 . . . . 0.0 112.072 179.416 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 82.8 p -70.27 -40.08 74.57 Favored 'General case' 0 C--N 1.334 -0.096 0 C-N-CA 119.65 -0.82 . . . . 0.0 111.685 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.563 ' OE1' ' O ' ' A' ' 1' ' ' GLY . 81.2 mm-40 -89.6 -47.51 7.91 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.365 -0.534 . . . . 0.0 111.278 179.2 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.58 ' N ' ' O ' ' B' ' 37' ' ' LEU . 29.4 mt -107.83 142.05 38.47 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 121.191 0.52 . . . . 0.0 111.458 -179.436 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 3.4 m -112.51 -68.67 0.91 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.395 178.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.81 -37.46 90.4 Favored Glycine 0 CA--C 1.533 1.188 0 CA-C-N 115.448 -0.796 . . . . 0.0 114.243 -178.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -59.75 -53.79 53.9 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 118.194 0.997 . . . . 0.0 112.523 -177.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -75.67 -38.7 58.52 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 120.279 -0.568 . . . . 0.0 111.201 178.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -60.52 -28.84 68.71 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.506 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.26 -28.63 54.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 0.0 112.096 -177.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 90.4 mm-40 -88.72 120.56 30.23 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 119.369 -0.933 . . . . 0.0 109.793 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -63.0 -36.15 82.58 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -179.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -70.03 142.07 52.79 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -177.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 4.3 m -74.21 -27.93 22.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.536 178.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -82.35 3.22 28.7 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.673 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.01 -38.14 72.68 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.257 -179.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.528 ' CG1' ' N ' ' B' ' 55' ' ' ASP . 8.8 p -60.5 -42.83 92.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 C-N-CA 119.796 -0.761 . . . . 0.0 109.949 178.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.528 ' N ' ' CG1' ' B' ' 54' ' ' VAL . 56.1 t0 -61.46 -42.24 98.47 Favored 'General case' 0 N--CA 1.447 -0.575 0 C-N-CA 120.1 -0.64 . . . . 0.0 109.32 179.105 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 44.4 mttm -62.0 -39.54 92.57 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.814 179.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 79.7 t -65.88 -45.77 90.35 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.072 0 N-CA-C 112.338 0.495 . . . . 0.0 112.338 -179.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 2.6 ppp? -65.9 -34.03 77.19 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 -177.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 29.3 mmtm -59.93 -39.84 86.84 Favored 'General case' 0 CA--C 1.52 -0.19 0 C-N-CA 119.09 -1.044 . . . . 0.0 110.373 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -64.11 -39.66 94.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.151 0.501 . . . . 0.0 110.599 178.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.439 ' O ' ' OE1' ' B' ' 73' ' ' GLU . 76.1 mt -68.08 -35.27 77.9 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-N 115.466 -0.788 . . . . 0.0 112.397 -179.206 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -71.62 73.28 0.78 Allowed 'General case' 0 N--CA 1.447 -0.622 0 C-N-CA 118.346 -1.342 . . . . 0.0 110.479 -178.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' B' ' 61' ' ' LEU . 87.5 tt0 -63.59 -38.15 90.02 Favored 'General case' 0 CA--C 1.497 -1.086 0 N-CA-C 107.016 -1.476 . . . . 0.0 107.016 176.118 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.477 ' OD1' ' OD2' ' B' ' 66' ' ' ASP . 17.5 t-20 -58.22 -39.63 79.56 Favored 'General case' 0 N--CA 1.43 -1.47 0 CA-C-N 111.531 -2.577 . . . . 0.0 111.284 178.661 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 79.82 19.59 70.13 Favored Glycine 0 CA--C 1.531 1.041 0 C-N-CA 121.4 -0.429 . . . . 0.0 112.825 178.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.493 ' O ' ' OE1' ' B' ' 68' ' ' GLU . 54.0 p30 -89.34 2.37 54.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 117.467 0.633 . . . . 0.0 112.679 -179.643 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 88.3 -5.02 85.26 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.369 -1.092 . . . . 0.0 110.369 179.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.493 ' OE1' ' O ' ' B' ' 66' ' ' ASP . 53.8 mp0 -121.34 160.32 24.26 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.029 -0.585 . . . . 0.0 110.632 179.368 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 38.7 t -104.59 129.65 56.73 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.609 0 N-CA-C 105.8 -1.926 . . . . 0.0 105.8 176.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.513 ' C ' ' OD1' ' B' ' 70' ' ' ASP . 17.8 p30 -100.51 170.91 8.06 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 119.336 -0.946 . . . . 0.0 110.565 -177.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -53.57 -44.88 69.68 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.927 -178.541 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -61.71 -40.25 94.36 Favored 'General case' 0 C--O 1.243 0.727 0 C-N-CA 120.063 -0.655 . . . . 0.0 111.836 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.439 ' OE1' ' O ' ' B' ' 61' ' ' LEU . 77.5 mt-10 -64.55 -42.8 95.47 Favored 'General case' 0 C--O 1.243 0.734 0 CA-C-O 122.358 1.075 . . . . 0.0 109.701 179.66 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . 0.406 ' CE1' HD13 ' B' ' 36' ' ' LEU . 69.8 t80 -63.44 -41.08 98.66 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-N 114.476 -1.238 . . . . 0.0 110.155 178.69 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -60.04 -47.54 91.41 Favored 'Isoleucine or valine' 0 C--O 1.247 0.956 0 CA-C-N 113.797 -1.547 . . . . 0.0 110.031 -179.012 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 16.3 m -67.48 -35.07 72.18 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.56 0 C-N-CA 117.929 -1.509 . . . . 0.0 109.348 178.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 30.8 tp -56.95 -50.44 72.61 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 118.872 -1.131 . . . . 0.0 111.754 178.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.458 ' O ' ' OG1' ' B' ' 82' ' ' THR . 35.8 m -69.05 -35.91 71.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 118.558 -1.257 . . . . 0.0 111.665 -179.226 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.38 -48.48 64.6 Favored 'General case' 0 C--O 1.248 0.981 0 C-N-CA 119.043 -1.063 . . . . 0.0 111.918 -179.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . 0.411 ' O ' HG11 ' B' ' 83' ' ' VAL . . . -63.21 -39.66 95.28 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 179.573 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 9.2 mp -64.92 -34.63 78.86 Favored 'General case' 0 N--CA 1.447 -0.59 0 C-N-CA 119.321 -0.951 . . . . 0.0 109.839 176.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.458 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 37.5 m -63.33 -50.28 70.65 Favored 'General case' 0 C--O 1.246 0.877 0 C-N-CA 119.828 -0.749 . . . . 0.0 111.374 179.748 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.411 HG11 ' O ' ' B' ' 80' ' ' ALA . 13.8 p -63.26 -38.77 83.0 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 C-N-CA 119.118 -1.033 . . . . 0.0 110.63 178.793 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . 0.41 ' O ' ' CD2' ' B' ' 88' ' ' PHE . . . -65.34 -35.24 80.39 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 120.348 -0.541 . . . . 0.0 109.863 178.734 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 9.2 t -61.77 -54.91 36.0 Favored 'General case' 0 CA--C 1.507 -0.696 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.357 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 33.6 t30 -56.91 -39.0 73.63 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 118.724 -1.19 . . . . 0.0 108.989 178.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 34.8 t30 -57.82 -41.54 82.47 Favored 'General case' 0 C--O 1.22 -0.455 0 C-N-CA 120.03 -0.668 . . . . 0.0 110.443 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.451 ' O ' ' CB ' ' B' ' 92' ' ' ASN . 70.7 m-85 -68.04 -41.04 82.7 Favored 'General case' 0 C--N 1.333 -0.122 0 C-N-CA 119.639 -0.824 . . . . 0.0 110.834 178.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -58.78 -45.28 90.2 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.245 -0.582 . . . . 0.0 111.582 -179.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.597 ' CE3' ' OH ' ' A' ' 26' ' ' TYR . 16.0 t-105 -85.8 -58.34 2.69 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 -179.559 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.447 ' OE1' ' C ' ' B' ' 91' ' ' GLU . 7.6 tm-20 -61.48 -37.03 82.15 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 113.481 0.919 . . . . 0.0 113.481 -176.778 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . 0.451 ' CB ' ' O ' ' B' ' 88' ' ' PHE . 53.4 t-20 -57.09 -36.61 70.81 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 119.9 -0.72 . . . . 0.0 110.622 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 33.1 t . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.542 -179.951 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 201' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.703 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.537 ' CB ' ' O ' ' B' ' 40' ' ' GLU . 48.5 t -118.3 139.03 51.95 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.788 0.328 . . . . 0.0 110.689 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.45 -39.44 93.83 Favored 'General case' 0 C--O 1.236 0.352 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 -179.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.0 tt -63.77 -41.98 97.88 Favored 'General case' 0 C--O 1.242 0.682 0 C-N-CA 119.251 -0.98 . . . . 0.0 109.028 -178.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.456 ' C ' ' OE1' ' A' ' 5' ' ' GLU . 8.6 tm-20 -63.72 -39.2 93.7 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 114.772 -1.104 . . . . 0.0 109.06 179.275 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.6 m -60.2 -40.29 89.55 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.126 178.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.31 -44.15 95.79 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.137 179.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 98.7 mtp -59.22 -41.07 87.78 Favored 'General case' 0 C--O 1.249 1.054 0 CA-C-O 121.857 0.837 . . . . 0.0 109.445 178.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -64.99 -35.71 82.06 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.084 178.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 51.0 m -64.47 -43.47 94.08 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 119.731 -0.788 . . . . 0.0 110.224 179.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 38.1 mt -61.69 -42.74 99.34 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 119.232 -0.987 . . . . 0.0 108.803 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.405 HD13 HG22 ' A' ' 12' ' ' ILE . 97.4 mt -62.12 -45.68 98.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 C-N-CA 119.775 -0.77 . . . . 0.0 111.586 178.688 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -61.83 -41.57 97.96 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -178.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.4 m -73.94 -41.13 53.18 Favored 'Isoleucine or valine' 0 C--O 1.255 1.344 0 C-N-CA 119.289 -0.965 . . . . 0.0 111.437 -179.303 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -60.51 -47.93 83.98 Favored 'General case' 0 CA--C 1.513 -0.481 0 C-N-CA 119.254 -0.978 . . . . 0.0 109.757 177.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -63.94 -34.88 78.97 Favored 'General case' 0 CA--C 1.502 -0.878 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.974 178.064 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.483 ' O ' ' HB2' ' A' ' 21' ' ' LYS . . . -57.58 -51.91 67.56 Favored 'General case' 0 N--CA 1.434 -1.23 0 C-N-CA 118.587 -1.245 . . . . 0.0 109.527 -178.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.492 ' CD2' ' HG ' ' A' ' 36' ' ' LEU . 35.9 m-70 -79.25 -52.12 8.55 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 114.582 1.327 . . . . 0.0 114.582 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.45 ' OG ' ' O ' ' A' ' 25' ' ' LYS . 22.9 t -58.07 -40.77 81.85 Favored 'General case' 0 C--N 1.34 0.182 0 C-N-CA 118.78 -1.168 . . . . 0.0 108.919 -179.213 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.33 -44.0 67.58 Favored Glycine 0 C--N 1.343 0.928 0 CA-C-N 115.347 -0.842 . . . . 0.0 112.139 178.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.483 ' HB2' ' O ' ' A' ' 17' ' ' ALA . 6.2 ttpm? -59.4 -42.26 91.33 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 120.23 -0.588 . . . . 0.0 112.0 -179.372 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.445 ' C ' ' OE2' ' A' ' 32' ' ' GLU . 97.3 mt-10 -129.33 152.08 49.28 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 112.778 0.659 . . . . 0.0 112.778 179.771 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.12 -148.78 28.01 Favored Glycine 0 CA--C 1.523 0.592 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.317 177.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -71.15 139.77 50.34 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 179.3 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.45 ' O ' ' OG ' ' A' ' 19' ' ' SER . 7.5 mtmp? -61.41 -32.56 72.51 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.727 -0.67 . . . . 0.0 112.761 -178.173 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.598 ' OH ' ' CD2' ' B' ' 90' ' ' TRP . 99.0 m-85 -106.39 19.57 20.3 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 113.094 0.776 . . . . 0.0 113.094 -177.661 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.2 tptt -138.87 137.17 36.3 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 119.215 -0.994 . . . . 0.0 108.569 178.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.7 tp -110.13 130.19 55.58 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.552 -0.459 . . . . 0.0 109.806 -177.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.4 t -100.61 162.67 12.77 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.879 -178.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.3 ttpt -52.19 -47.31 65.63 Favored 'General case' 0 C--O 1.24 0.568 0 CA-C-O 121.239 0.543 . . . . 0.0 111.404 -178.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.582 ' CG ' ' N ' ' A' ' 32' ' ' GLU . 25.4 pttm -60.1 -48.44 81.7 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.958 -178.752 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.582 ' N ' ' CG ' ' A' ' 31' ' ' LYS . 93.9 mt-10 -63.61 -51.31 65.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.65 -0.704 . . . . 0.0 112.301 -178.181 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.9 pp -60.26 -36.52 77.98 Favored 'General case' 0 CA--C 1.501 -0.92 0 C-N-CA 119.223 -0.991 . . . . 0.0 110.678 -179.014 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.74 ' NZ ' HE21 ' A' ' 38' ' ' GLN . 10.9 tptp -56.16 -36.72 68.62 Favored 'General case' 0 N--CA 1.436 -1.163 0 C-N-CA 117.912 -1.515 . . . . 0.0 107.983 178.407 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.445 ' O ' ' CG2' ' A' ' 39' ' ' THR . 96.8 mt-10 -74.98 -40.33 60.76 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 179.618 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.492 ' HG ' ' CD2' ' A' ' 18' ' ' HIS . 4.0 tt -65.5 -45.43 83.61 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 120.174 -0.61 . . . . 0.0 111.058 -177.452 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.558 ' O ' ' O ' ' A' ' 41' ' ' LEU . 1.3 mm? -64.34 -44.06 92.65 Favored 'General case' 0 N--CA 1.463 0.195 0 C-N-CA 119.084 -1.046 . . . . 0.0 111.148 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.74 HE21 ' NZ ' ' A' ' 34' ' ' LYS . 97.3 mt-30 -63.87 -39.41 94.13 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.454 -0.498 . . . . 0.0 111.876 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.445 ' CG2' ' O ' ' A' ' 35' ' ' GLU . 61.8 p -72.49 -33.01 66.66 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.688 -0.405 . . . . 0.0 111.737 -179.576 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.539 ' O ' ' CB ' ' B' ' 2' ' ' SER . 75.9 mm-40 -100.86 -59.06 1.77 Allowed 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 113.239 0.829 . . . . 0.0 113.239 -179.095 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.558 ' O ' ' O ' ' A' ' 37' ' ' LEU . 56.8 mt -98.65 140.82 32.29 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 120.39 -0.524 . . . . 0.0 111.481 -179.337 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -110.69 -60.77 1.77 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.526 179.596 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.49 -39.52 93.17 Favored Glycine 0 CA--C 1.531 1.09 0 N-CA-C 114.58 0.592 . . . . 0.0 114.58 -177.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -62.56 -53.81 49.14 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 118.236 1.018 . . . . 0.0 112.815 -177.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -73.97 -38.16 64.28 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 120.26 -0.576 . . . . 0.0 111.954 178.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -59.25 -30.6 68.38 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.189 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.98 -31.87 63.39 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.79 -177.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 -96.66 116.4 29.05 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 119.445 -0.902 . . . . 0.0 109.47 179.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -63.9 -37.26 86.73 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 -178.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -71.6 142.43 49.98 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 113.164 0.802 . . . . 0.0 113.164 -177.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.0 m -72.03 -29.14 31.81 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.146 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 177.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -58.87 -24.96 62.85 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 114.279 -1.328 . . . . 0.0 109.01 177.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.24 -36.84 53.54 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 114.674 -1.148 . . . . 0.0 110.665 -178.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.497 ' CG1' ' N ' ' A' ' 55' ' ' ASP . 7.3 p -60.28 -43.7 94.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 C-N-CA 119.189 -1.004 . . . . 0.0 110.024 178.703 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.497 ' N ' ' CG1' ' A' ' 54' ' ' VAL . 91.7 m-20 -63.0 -43.94 97.39 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.415 179.58 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 57.2 mtmt -60.91 -38.31 85.26 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 119.97 -0.692 . . . . 0.0 110.345 179.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 79.5 t -64.67 -45.78 94.29 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 120.212 -0.595 . . . . 0.0 110.592 179.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -70.96 -34.71 71.71 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 -179.115 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.3 mtmt -59.43 -41.13 88.85 Favored 'General case' 0 N--CA 1.462 0.167 0 C-N-CA 119.441 -0.904 . . . . 0.0 111.796 -178.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -64.14 -40.43 96.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.491 0.662 . . . . 0.0 110.349 179.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 80.6 mt -68.57 -33.21 73.68 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.919 -1.037 . . . . 0.0 112.57 -179.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -72.89 85.99 1.27 Allowed 'General case' 0 N--CA 1.445 -0.678 0 C-N-CA 118.96 -1.096 . . . . 0.0 111.027 -177.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -63.21 -47.22 83.47 Favored 'General case' 0 CA--C 1.505 -0.769 0 CA-C-O 122.515 1.15 . . . . 0.0 111.04 176.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -59.2 -35.58 73.86 Favored 'General case' 0 C--N 1.3 -1.579 0 CA-C-N 112.758 -2.019 . . . . 0.0 111.358 -179.1 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.5 18.54 70.78 Favored Glycine 0 CA--C 1.52 0.379 0 N-CA-C 108.252 -1.939 . . . . 0.0 108.252 -177.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.526 ' O ' ' OE1' ' A' ' 68' ' ' GLU . 24.0 p-10 -86.41 1.5 51.05 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 -178.449 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 82.84 1.51 90.6 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 178.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.526 ' OE1' ' O ' ' A' ' 66' ' ' ASP . 52.7 mp0 -120.11 155.87 32.15 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-O 121.507 0.67 . . . . 0.0 112.243 179.629 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 48.7 t -108.26 132.05 57.1 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.485 0 N-CA-C 107.545 -1.279 . . . . 0.0 107.545 176.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.55 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 52.1 t0 -101.89 159.99 14.87 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.125 0.488 . . . . 0.0 111.451 -178.132 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.55 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 1.0 OUTLIER -50.16 -43.79 52.34 Favored 'General case' 0 C--O 1.217 -0.611 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.234 -178.584 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -61.76 -40.5 95.35 Favored 'General case' 0 C--O 1.246 0.874 0 C-N-CA 119.601 -0.84 . . . . 0.0 110.711 178.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -64.72 -41.92 95.62 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-O 122.207 1.003 . . . . 0.0 109.779 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -63.49 -40.82 98.09 Favored 'General case' 0 C--O 1.24 0.587 0 CA-C-N 114.671 -1.15 . . . . 0.0 110.02 178.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -60.72 -48.2 89.75 Favored 'Isoleucine or valine' 0 C--O 1.247 0.929 0 CA-C-N 113.72 -1.582 . . . . 0.0 109.974 -179.072 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 14.6 m -67.48 -34.49 68.85 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 C-N-CA 117.811 -1.556 . . . . 0.0 109.26 178.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 51.6 tp -56.14 -52.98 62.4 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 119.164 -1.014 . . . . 0.0 112.286 178.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.495 ' O ' ' OG1' ' A' ' 82' ' ' THR . 34.3 m -69.84 -35.74 66.36 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.242 0 C-N-CA 118.737 -1.185 . . . . 0.0 111.868 -178.821 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.67 -47.96 65.18 Favored 'General case' 0 C--O 1.248 1.016 0 C-N-CA 119.05 -1.06 . . . . 0.0 111.715 -179.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.33 -40.14 96.5 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 179.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.6 mp -65.37 -34.22 77.8 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 119.258 -0.977 . . . . 0.0 109.694 176.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.495 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 39.5 m -62.86 -50.2 71.87 Favored 'General case' 0 C--O 1.243 0.752 0 C-N-CA 119.793 -0.763 . . . . 0.0 111.275 179.786 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.7 p -63.9 -39.02 83.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 119.15 -1.02 . . . . 0.0 110.703 178.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.578 ' O ' ' CD1' ' A' ' 88' ' ' PHE . . . -64.93 -31.74 73.12 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 121.17 0.51 . . . . 0.0 109.838 178.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 18.1 t -67.53 -54.08 23.1 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.7 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 35.4 t30 -56.56 -41.78 77.47 Favored 'General case' 0 C--O 1.24 0.604 0 C-N-CA 118.633 -1.227 . . . . 0.0 109.089 179.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -59.77 -38.24 81.28 Favored 'General case' 0 C--O 1.22 -0.455 0 C-N-CA 120.174 -0.61 . . . . 0.0 109.398 178.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.578 ' CD1' ' O ' ' A' ' 84' ' ' ALA . 4.7 m-30 -64.46 -41.34 96.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -66.46 -55.32 16.22 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 120.13 -0.628 . . . . 0.0 111.542 -179.328 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.607 ' CD2' ' OH ' ' B' ' 26' ' ' TYR . 23.7 t-105 -64.84 -40.11 94.64 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.321 0.582 . . . . 0.0 112.313 179.411 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.54 ' O ' ' O ' ' A' ' 88' ' ' PHE . 1.3 tm-20 -98.44 142.74 29.67 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.121 -177.654 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -55.38 -34.36 64.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.075 -179.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 52.9 p . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.527 -179.96 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.704 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.539 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 48.5 t -118.3 139.07 51.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.722 0.296 . . . . 0.0 110.698 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.42 -39.49 93.94 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 112.74 0.644 . . . . 0.0 112.74 -179.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 5.0 tt -63.68 -42.05 98.09 Favored 'General case' 0 C--O 1.243 0.718 0 C-N-CA 119.316 -0.954 . . . . 0.0 109.087 -178.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.458 ' OE1' ' C ' ' B' ' 5' ' ' GLU . 8.6 tm-20 -63.72 -39.17 93.64 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 114.808 -1.087 . . . . 0.0 109.092 179.245 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 46.3 m -60.25 -40.16 89.31 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.089 178.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.41 -44.11 95.57 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.114 179.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 98.7 mtp -59.33 -41.16 88.46 Favored 'General case' 0 C--O 1.249 1.055 0 CA-C-O 121.852 0.834 . . . . 0.0 109.393 178.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -64.77 -36.59 84.8 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.008 178.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 49.2 m -63.58 -43.7 96.23 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 119.774 -0.77 . . . . 0.0 110.41 179.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 42.5 mt -61.76 -42.63 99.23 Favored 'General case' 0 C--O 1.24 0.562 0 C-N-CA 119.191 -1.004 . . . . 0.0 108.815 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.4 mt -62.1 -45.59 98.39 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.135 0 C-N-CA 119.81 -0.756 . . . . 0.0 111.651 178.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -61.9 -41.6 98.09 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -178.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 13.1 m -73.88 -41.16 53.59 Favored 'Isoleucine or valine' 0 C--O 1.256 1.397 0 C-N-CA 119.384 -0.926 . . . . 0.0 111.396 -179.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -60.53 -47.9 84.15 Favored 'General case' 0 CA--C 1.512 -0.496 0 C-N-CA 119.259 -0.976 . . . . 0.0 109.779 177.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -63.93 -34.93 79.09 Favored 'General case' 0 CA--C 1.501 -0.91 0 CA-C-N 115.287 -0.87 . . . . 0.0 109.882 178.033 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.477 ' O ' ' HB2' ' B' ' 21' ' ' LYS . . . -57.7 -51.84 67.88 Favored 'General case' 0 N--CA 1.435 -1.209 0 C-N-CA 118.474 -1.29 . . . . 0.0 109.561 -178.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.489 ' CD2' ' HG ' ' B' ' 36' ' ' LEU . 36.1 m-70 -79.04 -52.28 8.43 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 114.615 1.339 . . . . 0.0 114.615 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.453 ' OG ' ' O ' ' B' ' 25' ' ' LYS . 23.0 t -58.0 -40.84 81.75 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 118.789 -1.164 . . . . 0.0 108.979 -179.235 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.16 -44.22 67.59 Favored Glycine 0 C--N 1.342 0.904 0 CA-C-N 115.372 -0.831 . . . . 0.0 112.085 178.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.477 ' HB2' ' O ' ' B' ' 17' ' ' ALA . 6.2 ttpm? -59.34 -42.26 91.09 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 120.199 -0.6 . . . . 0.0 111.993 -179.248 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.446 ' C ' ' OE2' ' B' ' 32' ' ' GLU . 97.3 mt-10 -129.31 152.22 49.11 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.96 -148.7 27.51 Favored Glycine 0 CA--C 1.523 0.585 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.367 177.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -71.19 139.72 50.24 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 179.316 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.453 ' O ' ' OG ' ' B' ' 19' ' ' SER . 7.5 mtmp? -61.42 -32.5 72.46 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.766 -178.193 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.607 ' OH ' ' CD2' ' A' ' 90' ' ' TRP . 99.0 m-85 -106.33 19.6 20.26 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.11 0.782 . . . . 0.0 113.11 -177.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 26.9 tptt -138.74 137.25 36.57 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 119.197 -1.001 . . . . 0.0 108.643 178.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 13.7 tp -110.18 130.21 55.58 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 120.435 -0.506 . . . . 0.0 109.759 -177.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 27.7 t -100.53 162.69 12.76 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.872 -178.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 20.3 ttpt -52.19 -47.36 65.59 Favored 'General case' 0 C--O 1.24 0.585 0 CA-C-O 121.278 0.561 . . . . 0.0 111.452 -178.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.581 ' CG ' ' N ' ' B' ' 32' ' ' GLU . 25.4 pttm -60.12 -48.41 81.83 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.932 -178.714 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.581 ' N ' ' CG ' ' B' ' 31' ' ' LYS . 93.9 mt-10 -63.56 -51.34 65.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.253 -178.174 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.9 pp -60.33 -36.48 78.06 Favored 'General case' 0 CA--C 1.5 -0.966 0 C-N-CA 119.21 -0.996 . . . . 0.0 110.703 -178.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.734 ' NZ ' HE21 ' B' ' 38' ' ' GLN . 10.9 tptp -56.13 -36.65 68.47 Favored 'General case' 0 N--CA 1.435 -1.193 0 C-N-CA 117.92 -1.512 . . . . 0.0 108.102 178.299 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.446 ' O ' ' CG2' ' B' ' 39' ' ' THR . 96.8 mt-10 -74.99 -40.38 60.73 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 179.484 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.489 ' HG ' ' CD2' ' B' ' 18' ' ' HIS . 4.0 tt -65.55 -45.32 83.81 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 120.108 -0.637 . . . . 0.0 111.084 -177.458 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.546 ' O ' ' O ' ' B' ' 41' ' ' LEU . 1.3 mm? -64.34 -44.0 92.85 Favored 'General case' 0 C--N 1.34 0.195 0 C-N-CA 119.153 -1.019 . . . . 0.0 111.165 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.734 HE21 ' NZ ' ' B' ' 34' ' ' LYS . 97.3 mt-30 -63.96 -39.46 94.18 Favored 'General case' 0 C--N 1.333 -0.138 0 C-N-CA 120.508 -0.477 . . . . 0.0 111.839 179.675 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.446 ' CG2' ' O ' ' B' ' 35' ' ' GLU . 61.8 p -72.39 -33.03 66.9 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.778 -179.625 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.537 ' O ' ' CB ' ' A' ' 2' ' ' SER . 75.9 mm-40 -100.87 -59.05 1.77 Allowed 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -179.059 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.546 ' O ' ' O ' ' B' ' 37' ' ' LEU . 56.4 mt -98.61 140.81 32.27 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.181 0.515 . . . . 0.0 111.498 -179.389 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -110.67 -60.69 1.78 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.648 179.495 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.51 -39.48 93.16 Favored Glycine 0 CA--C 1.532 1.114 0 CA-C-N 115.828 -0.623 . . . . 0.0 114.556 -177.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -62.56 -53.81 49.08 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 118.172 0.986 . . . . 0.0 112.796 -177.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -73.9 -38.2 64.42 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 120.36 -0.536 . . . . 0.0 111.97 178.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -59.25 -30.58 68.38 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.279 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.0 -31.87 63.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.768 -177.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -96.76 116.38 29.05 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 119.509 -0.876 . . . . 0.0 109.471 179.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -63.81 -37.27 86.75 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 114.177 1.176 . . . . 0.0 114.177 -178.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -71.63 142.49 49.94 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 -177.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 5.0 m -72.04 -29.13 31.72 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.16 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 177.15 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -58.86 -25.08 62.97 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 114.216 -1.357 . . . . 0.0 108.968 177.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.13 -36.83 52.44 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 114.679 -1.146 . . . . 0.0 110.72 -178.1 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.504 ' CG1' ' N ' ' B' ' 55' ' ' ASP . 7.4 p -60.32 -43.68 94.18 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 C-N-CA 119.208 -0.997 . . . . 0.0 109.952 178.759 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.504 ' N ' ' CG1' ' B' ' 54' ' ' VAL . 91.7 m-20 -63.03 -43.95 97.25 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.439 179.575 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 57.2 mtmt -60.9 -38.26 85.11 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 119.958 -0.697 . . . . 0.0 110.394 179.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 79.5 t -64.65 -45.73 94.5 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 C-N-CA 120.201 -0.6 . . . . 0.0 110.644 179.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -70.97 -34.76 71.74 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 113.944 1.09 . . . . 0.0 113.944 -179.101 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 13.3 mtmt -59.39 -41.11 88.64 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 119.28 -0.968 . . . . 0.0 111.894 -178.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -64.19 -40.43 96.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.481 0.658 . . . . 0.0 110.379 179.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 80.4 mt -68.61 -32.99 73.27 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.892 -1.049 . . . . 0.0 112.634 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -73.04 86.1 1.33 Allowed 'General case' 0 N--CA 1.446 -0.653 0 C-N-CA 118.854 -1.138 . . . . 0.0 111.05 -177.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -63.23 -47.27 83.19 Favored 'General case' 0 CA--C 1.503 -0.83 0 CA-C-O 122.53 1.157 . . . . 0.0 110.991 177.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -59.17 -35.61 73.84 Favored 'General case' 0 C--N 1.3 -1.567 0 CA-C-N 112.819 -1.992 . . . . 0.0 111.348 -179.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.43 18.58 70.87 Favored Glycine 0 CA--C 1.521 0.417 0 N-CA-C 108.322 -1.911 . . . . 0.0 108.322 -177.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.518 ' O ' ' OE1' ' B' ' 68' ' ' GLU . 23.9 p-10 -86.31 1.37 51.26 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 114.956 -0.622 . . . . 0.0 112.665 -178.456 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 82.88 1.54 90.62 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 178.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.518 ' OE1' ' O ' ' B' ' 66' ' ' ASP . 52.6 mp0 -120.17 155.86 32.26 Favored 'General case' 0 C--O 1.239 0.548 0 CA-C-O 121.635 0.731 . . . . 0.0 112.202 179.605 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 48.6 t -108.17 132.02 57.05 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 176.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.548 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 50.9 t0 -101.3 160.01 14.78 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.073 0.463 . . . . 0.0 111.421 -178.08 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.548 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 1.0 OUTLIER -50.42 -43.8 54.97 Favored 'General case' 0 C--O 1.218 -0.604 0 CA-C-N 115.538 -0.756 . . . . 0.0 109.172 -178.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -61.74 -40.57 95.55 Favored 'General case' 0 C--O 1.246 0.898 0 C-N-CA 119.663 -0.815 . . . . 0.0 110.709 178.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 -64.7 -41.77 95.79 Favored 'General case' 0 C--O 1.24 0.57 0 CA-C-O 122.172 0.987 . . . . 0.0 109.875 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -63.48 -40.91 98.35 Favored 'General case' 0 C--O 1.24 0.593 0 CA-C-N 114.686 -1.143 . . . . 0.0 110.013 178.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -60.72 -48.27 89.49 Favored 'Isoleucine or valine' 0 C--O 1.247 0.951 0 CA-C-N 113.736 -1.575 . . . . 0.0 109.921 -179.01 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 14.6 m -67.49 -34.4 68.27 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.497 0 C-N-CA 117.855 -1.538 . . . . 0.0 109.262 178.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 51.5 tp -56.12 -53.02 62.08 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 119.237 -0.985 . . . . 0.0 112.263 178.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.491 ' O ' ' OG1' ' B' ' 82' ' ' THR . 34.3 m -69.94 -35.67 65.56 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.215 0 C-N-CA 118.681 -1.208 . . . . 0.0 111.851 -178.797 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.63 -48.03 65.12 Favored 'General case' 0 C--O 1.248 1.019 0 C-N-CA 119.068 -1.053 . . . . 0.0 111.701 -179.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.22 -40.2 96.8 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 179.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 5.5 mp -65.38 -34.18 77.7 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 119.219 -0.992 . . . . 0.0 109.741 176.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.491 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 39.6 m -62.84 -50.13 72.16 Favored 'General case' 0 C--O 1.244 0.814 0 C-N-CA 119.803 -0.759 . . . . 0.0 111.242 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 13.7 p -63.98 -39.11 84.26 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 119.133 -1.027 . . . . 0.0 110.626 178.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . 0.585 ' O ' ' CD1' ' B' ' 88' ' ' PHE . . . -64.89 -31.7 73.05 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-O 121.21 0.528 . . . . 0.0 109.84 178.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 18.1 t -67.53 -54.06 23.16 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.691 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -56.59 -41.8 77.6 Favored 'General case' 0 C--O 1.24 0.585 0 C-N-CA 118.588 -1.245 . . . . 0.0 109.124 179.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -59.76 -38.2 81.12 Favored 'General case' 0 C--O 1.22 -0.499 0 C-N-CA 120.187 -0.605 . . . . 0.0 109.438 178.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.585 ' CD1' ' O ' ' B' ' 84' ' ' ALA . 4.7 m-30 -64.51 -41.33 96.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -66.4 -55.39 16.04 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.183 -0.607 . . . . 0.0 111.609 -179.385 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.598 ' CD2' ' OH ' ' A' ' 26' ' ' TYR . 23.8 t-105 -64.77 -40.14 94.79 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.261 0.553 . . . . 0.0 112.258 179.369 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.53 ' O ' ' O ' ' B' ' 88' ' ' PHE . 1.3 tm-20 -98.44 142.75 29.67 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.161 -177.658 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -55.32 -34.36 64.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.126 -179.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 52.8 p . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.514 -179.931 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 201' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.666 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.438 ' OG ' ' O ' ' B' ' 40' ' ' GLU . 55.7 p -69.61 163.27 25.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.753 0.311 . . . . 0.0 110.636 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.24 -37.53 83.4 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.751 -179.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.4 tt -62.37 -41.82 98.92 Favored 'General case' 0 C--O 1.242 0.659 0 CA-C-O 121.873 0.844 . . . . 0.0 108.755 -179.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.453 ' C ' ' OE1' ' A' ' 5' ' ' GLU . 7.9 tm-20 -63.77 -40.27 96.27 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 114.742 -1.117 . . . . 0.0 109.515 179.581 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 43.7 m -60.26 -40.12 89.21 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 178.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.38 -44.43 94.76 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.344 179.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 96.0 mtp -59.49 -41.02 88.89 Favored 'General case' 0 C--O 1.25 1.095 0 CA-C-O 121.909 0.862 . . . . 0.0 109.507 179.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.76 -35.66 81.8 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.091 -0.958 . . . . 0.0 109.991 178.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 54.1 m -64.28 -43.45 94.75 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 119.858 -0.737 . . . . 0.0 110.255 179.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 36.5 mt -61.73 -42.56 99.12 Favored 'General case' 0 C--O 1.241 0.606 0 C-N-CA 119.188 -1.005 . . . . 0.0 108.805 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.446 HG21 HD11 ' A' ' 12' ' ' ILE . 97.6 mt -62.2 -45.24 99.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 C-N-CA 119.709 -0.797 . . . . 0.0 111.576 178.56 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -61.93 -41.58 98.11 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.786 0.662 . . . . 0.0 112.786 -178.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 16.0 m -73.84 -41.37 53.87 Favored 'Isoleucine or valine' 0 C--O 1.255 1.377 0 C-N-CA 119.241 -0.984 . . . . 0.0 111.56 -179.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -59.91 -47.8 84.3 Favored 'General case' 0 CA--C 1.511 -0.522 0 C-N-CA 119.221 -0.992 . . . . 0.0 109.751 177.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -64.03 -34.71 78.63 Favored 'General case' 0 CA--C 1.502 -0.894 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.908 178.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.482 ' O ' ' HB2' ' A' ' 21' ' ' LYS . . . -57.59 -52.03 67.06 Favored 'General case' 0 N--CA 1.435 -1.182 0 C-N-CA 118.527 -1.269 . . . . 0.0 109.564 -178.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.482 ' CD2' ' HG ' ' A' ' 36' ' ' LEU . 38.0 m-70 -79.43 -51.78 8.92 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.468 ' OG ' ' O ' ' A' ' 25' ' ' LYS . 24.4 t -58.02 -40.84 81.84 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 118.823 -1.151 . . . . 0.0 108.927 -179.339 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.77 -44.65 68.81 Favored Glycine 0 C--N 1.343 0.932 0 CA-C-N 115.254 -0.885 . . . . 0.0 112.151 178.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.482 ' HB2' ' O ' ' A' ' 17' ' ' ALA . 6.3 ttpm? -59.52 -42.4 92.19 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.18 -0.608 . . . . 0.0 112.223 -179.138 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.445 ' C ' ' OE2' ' A' ' 32' ' ' GLU . 97.3 mt-10 -129.31 151.64 49.75 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.04 -148.31 32.73 Favored Glycine 0 CA--C 1.524 0.629 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.285 177.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -70.85 139.21 50.8 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 179.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.468 ' O ' ' OG ' ' A' ' 19' ' ' SER . 31.8 mtmt -61.62 -32.92 73.08 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 -177.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.596 ' OH ' ' CD2' ' B' ' 90' ' ' TRP . 95.9 m-85 -107.12 20.18 19.36 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -177.392 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.9 tptt -138.89 137.47 36.55 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 178.548 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.7 tp -111.08 126.97 55.38 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 -177.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.411 ' OG ' ' NZ ' ' A' ' 31' ' ' LYS . 97.7 p -96.84 166.91 11.4 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.699 -0.228 . . . . 0.0 110.781 -179.535 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.7 ttpt -54.44 -47.97 72.23 Favored 'General case' 0 C--O 1.242 0.66 0 CA-C-O 121.012 0.434 . . . . 0.0 112.043 -177.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.581 ' CG ' ' N ' ' A' ' 32' ' ' GLU . 26.0 pttm -60.51 -48.53 81.38 Favored 'General case' 0 N--CA 1.44 -0.93 0 C-N-CA 119.714 -0.794 . . . . 0.0 109.737 -178.475 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.581 ' N ' ' CG ' ' A' ' 31' ' ' LYS . 95.6 mt-10 -62.54 -50.25 72.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.516 -0.765 . . . . 0.0 112.529 -178.443 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.6 pp -60.86 -36.09 78.27 Favored 'General case' 0 CA--C 1.501 -0.941 0 C-N-CA 118.771 -1.172 . . . . 0.0 110.142 -179.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.593 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 10.4 tptp -56.09 -36.84 68.58 Favored 'General case' 0 N--CA 1.435 -1.186 0 C-N-CA 118.244 -1.383 . . . . 0.0 108.13 178.321 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.467 ' O ' ' CG2' ' A' ' 39' ' ' THR . 97.0 mt-10 -74.6 -40.88 61.32 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 113.076 0.769 . . . . 0.0 113.076 179.719 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.482 ' HG ' ' CD2' ' A' ' 18' ' ' HIS . 3.9 tt -65.38 -44.9 86.08 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 120.044 -0.663 . . . . 0.0 110.99 -177.316 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.556 ' O ' ' O ' ' A' ' 41' ' ' LEU . 1.4 mm? -65.02 -44.67 88.41 Favored 'General case' 0 C--N 1.342 0.243 0 C-N-CA 119.083 -1.047 . . . . 0.0 111.513 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.593 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 27.3 mt-30 -63.73 -38.98 93.13 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.381 -0.528 . . . . 0.0 111.628 179.688 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.467 ' CG2' ' O ' ' A' ' 35' ' ' GLU . 63.4 p -72.11 -32.91 67.41 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.609 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.447 ' O ' ' OG ' ' B' ' 2' ' ' SER . 76.6 mm-40 -101.34 -59.52 1.69 Allowed 'General case' 0 N--CA 1.463 0.189 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 -178.799 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.556 ' O ' ' O ' ' A' ' 37' ' ' LEU . 53.6 mt -99.39 142.23 31.14 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.323 0.582 . . . . 0.0 111.35 -178.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 70.4 m -108.49 -77.74 0.6 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.537 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -56.8 -36.42 72.43 Favored Glycine 0 CA--C 1.531 1.093 0 CA-C-N 115.471 -0.786 . . . . 0.0 113.92 -178.094 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -61.51 -57.01 13.83 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 118.068 0.934 . . . . 0.0 112.755 -177.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.12 -39.83 71.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.597 0.713 . . . . 0.0 109.58 -179.736 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -63.32 -29.35 70.68 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 114.684 -1.144 . . . . 0.0 112.706 179.233 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.1 -29.82 58.44 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -176.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 95.2 mm-40 -60.55 -36.81 79.35 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 119.706 -0.798 . . . . 0.0 109.355 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.524 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 94.7 mttt 60.92 38.55 17.55 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.422 -0.808 . . . . 0.0 113.079 178.582 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.524 ' OD1' ' O ' ' A' ' 49' ' ' LYS . 91.0 m-20 -141.4 149.91 41.69 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.319 178.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.2 m -72.87 -31.51 36.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.487 179.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -87.07 2.72 48.8 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.594 179.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.61 -38.23 77.56 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.443 -0.503 . . . . 0.0 110.711 -178.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.523 ' CG1' ' N ' ' A' ' 55' ' ' ASP . 7.2 p -60.17 -44.3 95.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 C-N-CA 119.721 -0.792 . . . . 0.0 110.276 179.602 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.523 ' N ' ' CG1' ' A' ' 54' ' ' VAL . 92.2 m-20 -62.61 -43.92 97.59 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.297 179.376 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.96 -40.43 95.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.882 179.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 69.4 t -65.84 -44.09 92.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.946 -0.57 . . . . 0.0 112.143 -179.253 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -69.05 -33.49 73.66 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 -178.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.7 mtmm -60.0 -41.32 91.81 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 113.283 0.845 . . . . 0.0 113.283 -178.195 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -72.22 -36.69 69.22 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 119.556 -0.858 . . . . 0.0 110.685 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.473 ' O ' ' CD ' ' A' ' 73' ' ' GLU . 88.7 mt -67.51 -33.86 75.95 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.86 179.585 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 51.8 t0 -72.43 86.72 1.15 Allowed 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 119.146 -1.022 . . . . 0.0 111.095 -178.048 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -63.18 -47.23 83.49 Favored 'General case' 0 CA--C 1.506 -0.744 0 CA-C-O 122.433 1.111 . . . . 0.0 110.878 176.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -59.36 -35.52 74.04 Favored 'General case' 0 C--N 1.3 -1.575 0 CA-C-N 112.929 -1.941 . . . . 0.0 111.31 -179.215 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.57 18.64 70.34 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 108.494 -1.842 . . . . 0.0 108.494 -178.047 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.514 ' O ' ' OE1' ' A' ' 68' ' ' GLU . 23.2 p-10 -87.12 2.04 51.08 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -178.44 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 83.93 1.56 89.76 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 178.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.514 ' OE1' ' O ' ' A' ' 66' ' ' ASP . 51.3 mp0 -120.64 156.75 31.04 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-O 121.498 0.666 . . . . 0.0 112.137 179.719 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 49.7 t -105.69 131.7 54.5 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 N-CA-C 107.178 -1.415 . . . . 0.0 107.178 176.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.543 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 51.3 t0 -101.55 160.04 14.78 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.146 0.498 . . . . 0.0 111.341 -178.256 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.543 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 1.0 OUTLIER -50.09 -43.34 51.39 Favored 'General case' 0 C--O 1.215 -0.723 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.002 -178.471 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -62.29 -40.94 97.91 Favored 'General case' 0 C--O 1.245 0.832 0 C-N-CA 119.849 -0.74 . . . . 0.0 110.999 178.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.473 ' CD ' ' O ' ' A' ' 61' ' ' LEU . 87.9 mt-10 -64.63 -41.95 95.81 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 122.304 1.05 . . . . 0.0 109.602 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -63.46 -40.72 97.87 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-N 114.409 -1.269 . . . . 0.0 109.928 178.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -60.44 -48.33 88.87 Favored 'Isoleucine or valine' 0 C--O 1.248 0.993 0 CA-C-N 113.842 -1.527 . . . . 0.0 109.871 -178.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 15.9 m -67.38 -34.59 69.74 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.585 0 C-N-CA 117.871 -1.532 . . . . 0.0 109.244 178.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 50.2 tp -56.38 -51.71 67.32 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 119.095 -1.042 . . . . 0.0 112.298 178.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.486 ' O ' ' OG1' ' A' ' 82' ' ' THR . 34.6 m -70.3 -34.97 60.67 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.358 0 C-N-CA 118.734 -1.186 . . . . 0.0 111.62 -178.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.26 -47.77 66.85 Favored 'General case' 0 C--O 1.251 1.14 0 C-N-CA 118.893 -1.123 . . . . 0.0 111.539 -179.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.51 -39.72 95.17 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.2 179.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.8 mp -65.1 -34.13 77.66 Favored 'General case' 0 C--O 1.22 -0.492 0 C-N-CA 119.239 -0.984 . . . . 0.0 109.706 176.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.486 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 31.7 m -63.14 -50.25 71.18 Favored 'General case' 0 C--O 1.245 0.847 0 C-N-CA 119.83 -0.748 . . . . 0.0 111.154 179.73 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 12.8 p -64.05 -39.66 86.28 Favored 'Isoleucine or valine' 0 C--O 1.239 0.537 0 C-N-CA 118.935 -1.106 . . . . 0.0 111.045 179.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.459 ' O ' ' CD2' ' A' ' 88' ' ' PHE . . . -64.91 -34.49 78.51 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 120.386 -0.526 . . . . 0.0 109.725 178.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.458 ' C ' ' SD ' ' A' ' 201' ' ' HCS . 45.9 t -62.89 -54.67 35.09 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.643 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 36.8 t30 -56.24 -40.35 74.0 Favored 'General case' 0 C--O 1.238 0.496 0 C-N-CA 118.582 -1.247 . . . . 0.0 108.77 178.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.654 ' O ' ' HB2' ' A' ' 91' ' ' GLU . 86.7 m-20 -59.64 -42.17 92.16 Favored 'General case' 0 C--O 1.203 -1.388 0 C-N-CA 120.227 -0.589 . . . . 0.0 110.424 178.717 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.529 ' O ' ' O ' ' A' ' 91' ' ' GLU . 76.0 m-85 -67.03 -35.09 79.12 Favored 'General case' 0 C--N 1.31 -1.142 0 C-N-CA 117.274 -1.77 . . . . 0.0 110.592 178.709 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -64.25 -61.97 1.91 Allowed 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 119.682 -0.807 . . . . 0.0 111.715 -178.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.597 ' CD2' ' OH ' ' B' ' 26' ' ' TYR . 18.7 t-105 -70.09 -43.48 70.99 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 121.64 0.733 . . . . 0.0 111.483 178.778 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.654 ' HB2' ' O ' ' A' ' 87' ' ' ASN . 69.6 mm-40 -99.66 151.63 20.99 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.48 -1.236 . . . . 0.0 111.609 -178.731 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 17.6 m120 60.26 44.0 13.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.691 179.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 23.8 t . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 118.028 -0.987 . . . . 0.0 110.541 179.898 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.68 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.447 ' OG ' ' O ' ' A' ' 40' ' ' GLU . 56.2 p -69.53 163.24 25.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.704 0.288 . . . . 0.0 110.643 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.22 -37.53 83.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.753 -179.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 5.4 tt -62.4 -41.77 98.91 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.911 0.862 . . . . 0.0 108.714 -179.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.457 ' OE1' ' C ' ' B' ' 5' ' ' GLU . 7.9 tm-20 -63.82 -40.37 96.45 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 114.792 -1.095 . . . . 0.0 109.456 179.561 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 43.3 m -60.25 -39.91 88.4 Favored 'General case' 0 CA--C 1.515 -0.397 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 178.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.68 -44.25 94.28 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.282 179.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 96.0 mtp -59.73 -40.96 89.79 Favored 'General case' 0 C--O 1.25 1.112 0 CA-C-O 121.822 0.82 . . . . 0.0 109.451 179.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.7 -36.37 84.06 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.874 178.095 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 52.2 m -63.47 -43.67 96.65 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 119.874 -0.73 . . . . 0.0 110.419 179.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 41.8 mt -61.7 -42.5 99.02 Favored 'General case' 0 C--O 1.24 0.56 0 C-N-CA 119.185 -1.006 . . . . 0.0 108.816 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.7 mt -62.11 -45.41 98.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.489 178.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -61.93 -41.48 97.99 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -178.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 15.9 m -73.89 -41.41 53.53 Favored 'Isoleucine or valine' 0 C--O 1.256 1.412 0 C-N-CA 119.25 -0.98 . . . . 0.0 111.494 -179.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -59.87 -47.88 83.95 Favored 'General case' 0 CA--C 1.511 -0.521 0 C-N-CA 119.308 -0.957 . . . . 0.0 109.693 177.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -63.98 -34.71 78.61 Favored 'General case' 0 CA--C 1.502 -0.887 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.934 178.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.479 ' O ' ' HB2' ' B' ' 21' ' ' LYS . . . -57.58 -52.06 66.93 Favored 'General case' 0 N--CA 1.435 -1.211 0 C-N-CA 118.521 -1.271 . . . . 0.0 109.615 -178.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.479 ' CD2' ' HG ' ' B' ' 36' ' ' LEU . 37.9 m-70 -79.22 -51.94 8.81 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 114.584 1.327 . . . . 0.0 114.584 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.457 ' OG ' ' O ' ' B' ' 25' ' ' LYS . 24.4 t -58.05 -40.87 82.02 Favored 'General case' 0 C--N 1.341 0.198 0 C-N-CA 118.814 -1.155 . . . . 0.0 108.971 -179.271 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.91 -44.42 68.42 Favored Glycine 0 C--N 1.343 0.969 0 CA-C-N 115.22 -0.9 . . . . 0.0 112.118 178.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.479 ' HB2' ' O ' ' B' ' 17' ' ' ALA . 6.3 ttpm? -59.59 -42.45 92.56 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.213 -0.595 . . . . 0.0 112.23 -179.194 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.45 ' C ' ' OE2' ' B' ' 32' ' ' GLU . 97.3 mt-10 -129.27 151.64 49.71 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.93 -148.2 32.48 Favored Glycine 0 N--CA 1.465 0.588 0 CA-C-N 115.762 -0.654 . . . . 0.0 112.371 177.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -70.89 139.2 50.7 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 179.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.457 ' O ' ' OG ' ' B' ' 19' ' ' SER . 31.8 mtmt -61.52 -32.94 73.0 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 -177.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.597 ' OH ' ' CD2' ' A' ' 90' ' ' TRP . 96.0 m-85 -107.12 20.19 19.35 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 -177.346 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 33.3 tptt -138.8 137.52 36.73 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 178.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 13.6 tp -111.06 126.84 55.24 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 -177.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.439 ' OG ' ' NZ ' ' B' ' 31' ' ' LYS . 97.7 p -96.8 166.91 11.41 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.75 -0.204 . . . . 0.0 110.798 -179.555 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 20.6 ttpt -54.37 -48.04 71.95 Favored 'General case' 0 C--O 1.241 0.646 0 CA-C-O 121.124 0.488 . . . . 0.0 112.114 -177.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.577 ' CG ' ' N ' ' B' ' 32' ' ' GLU . 26.0 pttm -60.47 -48.49 81.51 Favored 'General case' 0 N--CA 1.441 -0.88 0 C-N-CA 119.743 -0.783 . . . . 0.0 109.67 -178.47 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.577 ' N ' ' CG ' ' B' ' 31' ' ' LYS . 95.5 mt-10 -62.65 -50.31 71.7 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.412 -178.367 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.6 pp -60.82 -36.11 78.22 Favored 'General case' 0 CA--C 1.5 -0.951 0 C-N-CA 118.798 -1.161 . . . . 0.0 110.138 -179.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.596 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 10.4 tptp -56.08 -36.78 68.48 Favored 'General case' 0 N--CA 1.435 -1.189 0 C-N-CA 118.244 -1.383 . . . . 0.0 108.136 178.348 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.469 ' O ' ' CG2' ' B' ' 39' ' ' THR . 97.1 mt-10 -74.69 -40.92 61.1 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 179.737 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.479 ' HG ' ' CD2' ' B' ' 18' ' ' HIS . 4.0 tt -65.36 -44.81 86.45 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 120.076 -0.65 . . . . 0.0 111.073 -177.351 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.547 ' O ' ' O ' ' B' ' 41' ' ' LEU . 1.4 mm? -65.11 -44.54 88.43 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 119.043 -1.063 . . . . 0.0 111.509 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.596 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 27.3 mt-30 -63.74 -39.07 93.4 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.354 -0.538 . . . . 0.0 111.577 179.673 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.469 ' CG2' ' O ' ' B' ' 35' ' ' GLU . 63.4 p -72.1 -32.9 67.43 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.644 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.438 ' O ' ' OG ' ' A' ' 2' ' ' SER . 76.7 mm-40 -101.23 -59.62 1.67 Allowed 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 -178.847 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.547 ' O ' ' O ' ' B' ' 37' ' ' LEU . 53.7 mt -99.28 142.25 31.01 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 121.295 0.569 . . . . 0.0 111.331 -178.76 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 70.3 m -108.58 -77.72 0.6 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.572 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -56.8 -36.4 72.32 Favored Glycine 0 CA--C 1.531 1.044 0 CA-C-N 115.527 -0.76 . . . . 0.0 114.008 -178.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -61.55 -57.02 13.78 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 117.997 0.899 . . . . 0.0 112.737 -177.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.11 -39.79 71.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.59 0.709 . . . . 0.0 109.57 -179.778 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -63.32 -29.48 70.79 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 114.754 -1.112 . . . . 0.0 112.66 179.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.99 -29.95 58.28 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -176.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 95.1 mm-40 -60.4 -36.87 79.13 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 119.748 -0.781 . . . . 0.0 109.383 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.534 ' O ' ' OD1' ' B' ' 50' ' ' ASP . 94.7 mttt 60.95 38.55 17.45 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 115.444 -0.798 . . . . 0.0 113.049 178.593 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . 0.534 ' OD1' ' O ' ' B' ' 49' ' ' LYS . 90.9 m-20 -141.4 149.92 41.7 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.32 178.034 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 6.2 m -72.88 -31.53 36.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.481 179.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -87.12 2.76 48.77 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.588 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.63 -38.27 77.71 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.762 -178.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.526 ' CG1' ' N ' ' B' ' 55' ' ' ASP . 7.2 p -60.15 -44.24 94.78 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 C-N-CA 119.803 -0.759 . . . . 0.0 110.286 179.55 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.526 ' N ' ' CG1' ' B' ' 54' ' ' VAL . 92.2 m-20 -62.66 -43.92 97.58 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.3 179.371 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.97 -40.39 95.43 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.944 179.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 69.8 t -65.77 -44.15 93.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.881 -0.6 . . . . 0.0 112.159 -179.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -69.01 -33.45 73.66 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 -178.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 16.7 mtmm -60.09 -41.23 92.07 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 113.239 0.829 . . . . 0.0 113.239 -178.171 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -72.3 -36.61 68.98 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 119.618 -0.833 . . . . 0.0 110.663 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.474 ' O ' ' CD ' ' B' ' 73' ' ' GLU . 88.8 mt -67.66 -33.67 75.41 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.914 179.609 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -72.49 86.69 1.17 Allowed 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 119.158 -1.017 . . . . 0.0 111.161 -178.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -63.15 -47.22 83.64 Favored 'General case' 0 CA--C 1.506 -0.741 0 CA-C-O 122.407 1.098 . . . . 0.0 110.905 176.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -59.37 -35.52 74.06 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-N 112.835 -1.984 . . . . 0.0 111.335 -179.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.55 18.63 70.44 Favored Glycine 0 CA--C 1.52 0.374 0 N-CA-C 108.549 -1.82 . . . . 0.0 108.549 -177.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.523 ' O ' ' OE1' ' B' ' 68' ' ' GLU . 23.3 p-10 -87.09 2.08 50.9 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 -178.4 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 83.88 1.61 89.8 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 178.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.523 ' OE1' ' O ' ' B' ' 66' ' ' ASP . 51.2 mp0 -120.68 156.67 31.26 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-O 121.528 0.68 . . . . 0.0 112.191 179.703 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 49.0 t -105.53 131.63 54.44 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 N-CA-C 107.308 -1.367 . . . . 0.0 107.308 176.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.544 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 50.2 t0 -101.06 159.94 14.8 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.117 0.484 . . . . 0.0 111.277 -178.177 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.544 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 1.0 OUTLIER -50.21 -43.44 52.74 Favored 'General case' 0 C--O 1.215 -0.744 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 -178.873 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -62.11 -41.04 97.83 Favored 'General case' 0 C--O 1.245 0.835 0 C-N-CA 119.908 -0.717 . . . . 0.0 110.98 178.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.474 ' CD ' ' O ' ' B' ' 61' ' ' LEU . 87.9 mt-10 -64.63 -41.91 95.85 Favored 'General case' 0 C--O 1.241 0.623 0 CA-C-O 122.302 1.049 . . . . 0.0 109.628 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -63.5 -40.64 97.61 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-N 114.374 -1.285 . . . . 0.0 110.034 178.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -60.45 -48.37 88.69 Favored 'Isoleucine or valine' 0 C--O 1.248 0.992 0 CA-C-N 113.813 -1.54 . . . . 0.0 109.885 -178.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 15.8 m -67.37 -34.53 69.45 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.512 0 C-N-CA 117.798 -1.561 . . . . 0.0 109.218 178.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 49.6 tp -56.49 -51.67 67.63 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 119.105 -1.038 . . . . 0.0 112.268 178.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.48 ' O ' ' OG1' ' B' ' 82' ' ' THR . 34.6 m -70.31 -34.93 60.47 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.344 0 C-N-CA 118.69 -1.204 . . . . 0.0 111.701 -178.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.1 -47.98 66.72 Favored 'General case' 0 C--O 1.25 1.116 0 C-N-CA 118.969 -1.093 . . . . 0.0 111.53 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.39 -39.82 95.56 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.199 179.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 5.7 mp -65.02 -34.29 78.08 Favored 'General case' 0 C--O 1.219 -0.505 0 C-N-CA 119.166 -1.014 . . . . 0.0 109.687 176.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.48 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 31.4 m -62.91 -50.27 71.53 Favored 'General case' 0 C--O 1.246 0.89 0 C-N-CA 119.795 -0.762 . . . . 0.0 111.176 179.764 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 12.8 p -64.09 -39.65 86.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 C-N-CA 118.91 -1.116 . . . . 0.0 111.015 179.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . 0.46 ' O ' ' CD2' ' B' ' 88' ' ' PHE . . . -64.88 -34.41 78.32 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 120.282 -0.567 . . . . 0.0 109.79 178.781 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . 0.452 ' C ' ' SD ' ' B' ' 201' ' ' HCS . 46.1 t -62.85 -54.85 32.5 Favored 'General case' 0 CA--C 1.509 -0.621 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.574 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 36.9 t30 -56.14 -40.38 73.73 Favored 'General case' 0 C--O 1.239 0.518 0 C-N-CA 118.57 -1.252 . . . . 0.0 108.834 179.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . 0.644 ' O ' ' HB2' ' B' ' 91' ' ' GLU . 86.4 m-20 -59.63 -42.16 92.1 Favored 'General case' 0 C--O 1.202 -1.425 0 C-N-CA 120.183 -0.607 . . . . 0.0 110.486 178.702 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.533 ' O ' ' O ' ' B' ' 91' ' ' GLU . 75.9 m-85 -67.06 -35.07 79.05 Favored 'General case' 0 C--N 1.31 -1.129 0 C-N-CA 117.217 -1.793 . . . . 0.0 110.588 178.704 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -64.17 -62.03 1.88 Allowed 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 119.689 -0.805 . . . . 0.0 111.78 -178.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.596 ' CD2' ' OH ' ' A' ' 26' ' ' TYR . 18.8 t-105 -69.98 -43.52 71.28 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.765 0.793 . . . . 0.0 111.544 178.705 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.644 ' HB2' ' O ' ' B' ' 87' ' ' ASN . 69.6 mm-40 -99.59 151.74 20.83 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.42 -1.264 . . . . 0.0 111.637 -178.769 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . 0.407 ' O ' ' O ' ' B' ' 93' ' ' SER . 17.7 m120 60.14 44.02 13.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.642 179.689 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 93' ' ' SER . . . . . 0.407 ' O ' ' O ' ' B' ' 92' ' ' ASN . 23.4 t . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.522 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' HCS . . . . . 0.458 ' SD ' ' C ' ' A' ' 85' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 201' ' ' HCS . . . . . 0.452 ' SD ' ' C ' ' B' ' 85' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.62 ' O ' ' N ' ' A' ' 3' ' ' GLU . . . . . . . . 0 CA--C 1.523 0.591 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.5 m 38.41 18.88 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.624 0.25 . . . . 0.0 111.098 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.62 ' N ' ' O ' ' A' ' 1' ' ' GLY . 97.8 mt-10 -62.02 -36.93 83.04 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 120.597 -0.441 . . . . 0.0 111.167 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.525 ' CD1' ' OH ' ' B' ' 74' ' ' TYR . 4.5 tt -61.34 -39.7 91.55 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.456 ' C ' ' OE1' ' A' ' 5' ' ' GLU . 8.0 tm-20 -62.45 -40.51 96.84 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 114.96 -1.018 . . . . 0.0 109.318 179.062 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.8 m -60.08 -39.65 86.82 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 178.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.83 -43.46 98.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.078 -0.964 . . . . 0.0 109.851 179.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 98.0 mtp -59.59 -41.28 89.91 Favored 'General case' 0 C--O 1.249 1.061 0 CA-C-O 121.971 0.891 . . . . 0.0 109.365 179.098 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -64.81 -36.04 83.05 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.191 178.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 48.6 m -64.47 -43.3 94.65 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 119.875 -0.73 . . . . 0.0 110.206 179.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 37.9 mt -61.71 -42.82 99.45 Favored 'General case' 0 C--O 1.242 0.664 0 C-N-CA 119.125 -1.03 . . . . 0.0 108.959 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.452 HD13 HG23 ' A' ' 12' ' ' ILE . 98.4 mt -62.09 -46.05 97.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 C-N-CA 119.733 -0.787 . . . . 0.0 111.427 178.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -61.71 -41.4 97.56 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 -179.016 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.4 m -73.48 -41.17 56.39 Favored 'Isoleucine or valine' 0 C--O 1.251 1.176 0 C-N-CA 119.326 -0.95 . . . . 0.0 111.583 -179.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -60.04 -47.92 83.86 Favored 'General case' 0 CA--C 1.512 -0.514 0 C-N-CA 118.912 -1.115 . . . . 0.0 109.837 177.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -63.25 -35.95 82.03 Favored 'General case' 0 CA--C 1.502 -0.893 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.006 178.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.525 ' O ' ' HB2' ' A' ' 21' ' ' LYS . . . -57.27 -51.44 69.34 Favored 'General case' 0 N--CA 1.437 -1.116 0 C-N-CA 118.86 -1.136 . . . . 0.0 109.768 -178.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.448 ' ND1' ' HG ' ' A' ' 36' ' ' LEU . 45.4 m80 -78.96 -52.97 7.53 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 114.618 1.34 . . . . 0.0 114.618 -179.69 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.482 ' OG ' ' O ' ' A' ' 25' ' ' LYS . 21.3 t -57.97 -42.97 86.18 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 118.392 -1.323 . . . . 0.0 108.909 -178.778 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.91 -45.96 78.41 Favored Glycine 0 C--N 1.345 1.074 0 O-C-N 124.259 0.975 . . . . 0.0 112.414 178.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.525 ' HB2' ' O ' ' A' ' 17' ' ' ALA . 6.4 ttpm? -59.97 -41.79 92.75 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 -178.717 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.476 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 77.4 mm-40 -128.75 149.4 50.72 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 -179.464 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.82 -132.8 52.39 Favored Glycine 0 CA--C 1.523 0.548 0 CA-C-N 114.986 -1.006 . . . . 0.0 113.442 176.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -80.17 125.43 29.82 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-N 114.643 -0.778 . . . . 0.0 109.818 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.482 ' O ' ' OG ' ' A' ' 19' ' ' SER . 33.0 mtmt -58.0 -32.16 67.64 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.346 -0.843 . . . . 0.0 113.087 -177.275 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.608 ' OH ' ' CE2' ' B' ' 90' ' ' TRP . 83.9 m-85 -105.53 18.01 22.92 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 -177.272 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.2 tptt -142.21 139.72 32.09 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 119.719 -0.792 . . . . 0.0 109.254 178.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.7 tp -106.82 128.82 54.59 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 -178.048 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 96.6 p -102.36 166.43 10.56 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.559 -0.292 . . . . 0.0 111.088 -178.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.3 ttpt -53.84 -48.27 70.13 Favored 'General case' 0 C--O 1.24 0.567 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -177.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.594 ' CG ' ' N ' ' A' ' 32' ' ' GLU . 56.1 pttt -60.38 -48.28 82.42 Favored 'General case' 0 N--CA 1.441 -0.908 0 C-N-CA 119.827 -0.749 . . . . 0.0 109.615 -178.321 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.594 ' N ' ' CG ' ' A' ' 31' ' ' LYS . 95.3 mt-10 -63.08 -50.4 70.72 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.34 -0.845 . . . . 0.0 112.487 -178.294 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.1 -36.05 78.65 Favored 'General case' 0 CA--C 1.5 -0.98 0 C-N-CA 118.465 -1.294 . . . . 0.0 110.138 -179.558 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.727 ' NZ ' HE21 ' A' ' 38' ' ' GLN . 13.2 tptp -56.02 -36.46 67.98 Favored 'General case' 0 N--CA 1.433 -1.308 0 C-N-CA 118.174 -1.41 . . . . 0.0 108.149 178.569 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.462 ' O ' ' CG2' ' A' ' 39' ' ' THR . 97.3 mt-10 -74.54 -41.18 61.04 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 179.236 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.448 ' HG ' ' ND1' ' A' ' 18' ' ' HIS . 4.2 tt -65.96 -44.97 83.43 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 119.875 -0.73 . . . . 0.0 111.392 -176.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.569 ' O ' ' O ' ' A' ' 41' ' ' LEU . 1.2 mm? -64.41 -43.12 95.4 Favored 'General case' 0 C--O 1.226 -0.175 0 C-N-CA 118.729 -1.189 . . . . 0.0 110.836 179.666 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.727 HE21 ' NZ ' ' A' ' 34' ' ' LYS . 97.5 mt-30 -62.94 -38.87 92.77 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 120.315 -0.554 . . . . 0.0 111.28 179.27 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.462 ' CG2' ' O ' ' A' ' 35' ' ' GLU . 57.9 p -71.05 -33.44 70.28 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.507 -0.477 . . . . 0.0 111.556 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.498 ' OE1' ' N ' ' B' ' 3' ' ' GLU . 78.3 mm-40 -102.12 -59.46 1.7 Allowed 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 -179.051 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.569 ' O ' ' O ' ' A' ' 37' ' ' LEU . 42.3 mt -99.22 141.71 31.65 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.363 0.601 . . . . 0.0 111.5 -178.572 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.47 ' OG ' ' N ' ' A' ' 43' ' ' GLY . 27.3 p -114.61 -61.43 1.75 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.491 179.474 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.47 ' N ' ' OG ' ' A' ' 42' ' ' SER . . . -58.86 -39.27 93.72 Favored Glycine 0 CA--C 1.532 1.128 0 CA-C-N 115.86 -0.609 . . . . 0.0 114.017 -178.235 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -61.72 -51.95 66.27 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 117.925 0.862 . . . . 0.0 112.284 -178.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -73.32 -40.8 64.18 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 120.157 -0.617 . . . . 0.0 111.034 178.368 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -61.59 -33.56 74.1 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.581 -0.736 . . . . 0.0 112.026 -179.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.53 -34.91 71.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.278 -0.419 . . . . 0.0 112.038 -177.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.532 ' C ' ' H ' ' A' ' 50' ' ' ASP . 93.9 mm-40 -61.63 -34.37 75.55 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.184 -0.607 . . . . 0.0 109.748 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 49.2 tttp 66.91 -31.11 0.16 Allowed 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.925 179.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.532 ' H ' ' C ' ' A' ' 48' ' ' GLN . 88.2 m-20 -70.76 142.65 51.39 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.345 -0.542 . . . . 0.0 111.199 -179.767 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.7 m -72.86 -29.63 30.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.671 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -86.48 5.12 36.77 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.323 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.76 -38.6 75.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.905 -178.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.529 ' CG1' ' N ' ' A' ' 55' ' ' ASP . 7.2 p -59.72 -43.94 92.61 Favored 'Isoleucine or valine' 0 C--O 1.239 0.549 0 C-N-CA 119.848 -0.741 . . . . 0.0 109.97 179.242 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.529 ' N ' ' CG1' ' A' ' 54' ' ' VAL . 91.5 m-20 -61.66 -43.05 99.6 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.909 179.116 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -61.7 -38.9 89.56 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.301 178.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 79.0 t -64.88 -44.47 96.23 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.752 -179.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.531 ' CE ' ' O ' ' A' ' 67' ' ' GLY . 0.0 OUTLIER -68.38 -33.11 73.66 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 -178.868 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.606 ' CB ' ' NZ ' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -59.38 -41.6 89.75 Favored 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 -177.597 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -73.3 -37.03 66.36 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 119.681 -0.807 . . . . 0.0 110.987 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.437 ' O ' ' CD ' ' A' ' 73' ' ' GLU . 87.2 mt -67.79 -33.98 75.89 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-N 115.929 -0.578 . . . . 0.0 112.466 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.5 ' OD1' ' OD1' ' A' ' 66' ' ' ASP . 43.8 t0 -75.79 91.82 2.99 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 118.73 -1.188 . . . . 0.0 111.958 -177.612 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 -65.8 -46.29 79.23 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 122.702 1.239 . . . . 0.0 110.914 176.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 31.4 m120 -59.18 -34.87 72.63 Favored 'General case' 0 C--N 1.299 -1.616 0 CA-C-N 112.263 -2.244 . . . . 0.0 113.036 -178.08 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.443 ' C ' ' OD2' ' A' ' 62' ' ' ASP . . . 89.42 4.21 74.05 Favored Glycine 0 CA--C 1.529 0.934 0 N-CA-C 108.107 -1.997 . . . . 0.0 108.107 -176.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.65 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 49.3 p30 -61.8 -32.13 72.4 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 114.034 -1.083 . . . . 0.0 112.933 -179.669 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.65 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 98.91 -4.1 59.0 Favored Glycine 0 CA--C 1.521 0.456 0 N-CA-C 109.133 -1.587 . . . . 0.0 109.133 -178.407 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.49 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 54.2 mp0 -112.9 156.48 22.89 Favored 'General case' 0 C--O 1.242 0.683 0 CA-C-N 114.468 -0.866 . . . . 0.0 111.057 178.478 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 53.1 t -104.27 132.37 50.98 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 CA-C-N 115.018 -0.992 . . . . 0.0 108.711 177.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -99.18 159.28 15.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.066 0.46 . . . . 0.0 111.121 -178.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -50.6 -44.34 56.95 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.693 -178.203 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -61.73 -40.48 95.22 Favored 'General case' 0 C--O 1.244 0.778 0 C-N-CA 119.742 -0.783 . . . . 0.0 110.836 178.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.437 ' CD ' ' O ' ' A' ' 61' ' ' LEU . 92.5 mt-10 -65.03 -41.5 95.19 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-O 122.125 0.964 . . . . 0.0 109.903 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.527 ' OH ' ' CD1' ' B' ' 4' ' ' LEU . 59.3 t80 -63.65 -40.87 97.94 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 114.588 -1.187 . . . . 0.0 109.902 178.766 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -61.4 -48.64 87.94 Favored 'Isoleucine or valine' 0 C--O 1.247 0.946 0 CA-C-N 113.77 -1.559 . . . . 0.0 110.258 -179.179 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 13.4 m -67.51 -34.42 68.29 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 C-N-CA 118.117 -1.433 . . . . 0.0 109.277 178.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 53.9 tp -56.7 -53.04 62.29 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 119.365 -0.934 . . . . 0.0 112.291 178.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.485 ' O ' ' OG1' ' A' ' 82' ' ' THR . 31.9 m -70.24 -35.82 64.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 118.777 -1.169 . . . . 0.0 111.916 -178.754 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.86 -48.36 63.64 Favored 'General case' 0 C--O 1.249 1.079 0 C-N-CA 119.077 -1.049 . . . . 0.0 111.728 -179.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.07 -40.22 97.02 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 179.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.6 mp -65.39 -33.96 77.19 Favored 'General case' 0 C--O 1.218 -0.569 0 C-N-CA 119.292 -0.963 . . . . 0.0 109.767 176.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.485 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 39.2 m -63.05 -49.86 72.89 Favored 'General case' 0 C--O 1.245 0.829 0 C-N-CA 119.605 -0.838 . . . . 0.0 111.306 179.719 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.3 p -64.12 -39.21 84.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 118.946 -1.102 . . . . 0.0 110.69 178.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.45 -29.9 70.63 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 121.052 0.454 . . . . 0.0 109.818 178.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 47.6 t -68.38 -54.49 16.91 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.506 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -56.13 -41.26 75.06 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 118.666 -1.214 . . . . 0.0 108.703 178.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -59.73 -38.0 80.47 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.961 178.061 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.528 ' O ' ' O ' ' A' ' 91' ' ' GLU . 67.6 t80 -63.71 -46.27 86.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.282 179.776 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -65.63 -54.25 30.24 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.412 -0.515 . . . . 0.0 112.099 -178.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.61 ' CE2' ' OH ' ' B' ' 26' ' ' TYR . 23.9 t-105 -65.07 -41.27 95.22 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-O 121.218 0.532 . . . . 0.0 112.369 179.81 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.577 ' OE1' ' N ' ' A' ' 92' ' ' ASN . 1.3 tm-20 -98.32 144.64 27.51 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.961 -177.818 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.577 ' N ' ' OE1' ' A' ' 91' ' ' GLU . 86.1 m-20 -55.22 -34.31 63.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.896 -179.648 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.4 t . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 118.005 -0.997 . . . . 0.0 110.48 -179.936 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . 0.62 ' O ' ' N ' ' B' ' 3' ' ' GLU . . . . . . . . 0 CA--C 1.524 0.655 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 48.8 m 38.51 18.79 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.585 0.231 . . . . 0.0 111.05 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.62 ' N ' ' O ' ' B' ' 1' ' ' GLY . 97.7 mt-10 -62.04 -36.93 83.09 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.618 -0.433 . . . . 0.0 111.153 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.527 ' CD1' ' OH ' ' A' ' 74' ' ' TYR . 4.5 tt -61.32 -39.72 91.54 Favored 'General case' 0 C--O 1.238 0.467 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.457 ' OE1' ' C ' ' B' ' 5' ' ' GLU . 8.0 tm-20 -62.41 -40.52 96.79 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 114.935 -1.03 . . . . 0.0 109.314 179.09 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 45.2 m -60.11 -39.58 86.68 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 178.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.83 -43.4 98.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.92 179.373 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 97.8 mtp -59.64 -41.34 90.3 Favored 'General case' 0 C--O 1.248 0.996 0 CA-C-O 121.906 0.86 . . . . 0.0 109.432 179.016 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -64.69 -36.78 85.38 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.128 178.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 45.5 m -63.63 -43.52 96.59 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 119.817 -0.753 . . . . 0.0 110.386 179.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 43.8 mt -61.9 -42.66 99.34 Favored 'General case' 0 C--O 1.242 0.673 0 C-N-CA 119.16 -1.016 . . . . 0.0 108.834 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 98.4 mt -61.97 -46.14 97.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 C-N-CA 119.697 -0.801 . . . . 0.0 111.465 178.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -61.65 -41.51 97.62 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 -178.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 14.3 m -73.41 -41.19 56.91 Favored 'Isoleucine or valine' 0 C--O 1.252 1.187 0 C-N-CA 119.217 -0.993 . . . . 0.0 111.6 -179.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 92.6 t80 -59.94 -47.99 83.53 Favored 'General case' 0 CA--C 1.51 -0.562 0 C-N-CA 118.974 -1.09 . . . . 0.0 109.848 177.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -63.31 -35.86 81.76 Favored 'General case' 0 CA--C 1.502 -0.887 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.97 178.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.529 ' O ' ' HB2' ' B' ' 21' ' ' LYS . . . -57.26 -51.45 69.3 Favored 'General case' 0 N--CA 1.435 -1.198 0 C-N-CA 118.902 -1.119 . . . . 0.0 109.865 -178.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.438 ' ND1' ' HG ' ' B' ' 36' ' ' LEU . 45.0 m80 -78.77 -53.17 7.4 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 114.595 1.332 . . . . 0.0 114.595 -179.728 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.486 ' OG ' ' O ' ' B' ' 25' ' ' LYS . 21.1 t -57.96 -42.94 86.02 Favored 'General case' 0 CA--C 1.52 -0.197 0 C-N-CA 118.477 -1.289 . . . . 0.0 108.982 -178.803 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.07 -45.87 78.12 Favored Glycine 0 C--N 1.346 1.088 0 O-C-N 124.23 0.956 . . . . 0.0 112.426 178.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.529 ' HB2' ' O ' ' B' ' 17' ' ' ALA . 6.4 ttpm? -60.04 -41.65 92.74 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 -178.775 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.488 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 77.3 mm-40 -128.82 149.49 50.72 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 113.747 1.017 . . . . 0.0 113.747 -179.52 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.7 -132.8 52.14 Favored Glycine 0 CA--C 1.524 0.621 0 CA-C-N 114.952 -1.022 . . . . 0.0 113.346 176.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -80.12 125.43 29.8 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 114.629 -0.786 . . . . 0.0 109.862 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.486 ' O ' ' OG ' ' B' ' 19' ' ' SER . 32.9 mtmt -58.07 -32.06 67.67 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.354 -0.839 . . . . 0.0 113.095 -177.222 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.61 ' OH ' ' CE2' ' A' ' 90' ' ' TRP . 84.0 m-85 -105.52 17.97 22.98 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.921 0.712 . . . . 0.0 112.921 -177.323 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 39.7 tptt -142.1 139.87 32.33 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 119.687 -0.805 . . . . 0.0 109.339 178.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 17.5 tp -106.95 128.88 54.72 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 -178.094 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 96.4 p -102.45 166.44 10.54 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.064 -178.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 22.3 ttpt -53.82 -48.38 69.96 Favored 'General case' 0 C--O 1.24 0.557 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -177.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.59 ' CG ' ' N ' ' B' ' 32' ' ' GLU . 56.0 pttt -60.37 -48.17 82.92 Favored 'General case' 0 N--CA 1.44 -0.929 0 C-N-CA 119.706 -0.798 . . . . 0.0 109.706 -178.354 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.59 ' N ' ' CG ' ' B' ' 31' ' ' LYS . 95.2 mt-10 -63.05 -50.41 70.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.321 -0.854 . . . . 0.0 112.476 -178.374 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.06 -36.09 78.67 Favored 'General case' 0 CA--C 1.499 -1.007 0 C-N-CA 118.448 -1.301 . . . . 0.0 110.142 -179.522 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.735 ' NZ ' HE21 ' B' ' 38' ' ' GLN . 13.2 tptp -56.0 -36.45 67.93 Favored 'General case' 0 N--CA 1.434 -1.25 0 C-N-CA 118.208 -1.397 . . . . 0.0 108.085 178.626 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.462 ' O ' ' CG2' ' B' ' 39' ' ' THR . 97.4 mt-10 -74.59 -41.18 60.93 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 179.336 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.438 ' HG ' ' ND1' ' B' ' 18' ' ' HIS . 4.2 tt -65.91 -44.96 83.67 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 119.866 -0.733 . . . . 0.0 111.475 -176.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.57 ' O ' ' O ' ' B' ' 41' ' ' LEU . 1.2 mm? -64.46 -43.1 95.28 Favored 'General case' 0 CA--C 1.52 -0.196 0 C-N-CA 118.728 -1.189 . . . . 0.0 110.752 179.63 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.735 HE21 ' NZ ' ' B' ' 34' ' ' LYS . 97.6 mt-30 -63.02 -38.83 92.76 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.357 -0.537 . . . . 0.0 111.206 179.373 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.462 ' CG2' ' O ' ' B' ' 35' ' ' GLU . 58.8 p -71.06 -33.4 70.23 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.533 -0.467 . . . . 0.0 111.633 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.498 ' OE1' ' N ' ' A' ' 3' ' ' GLU . 78.4 mm-40 -102.21 -59.37 1.71 Allowed 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 -179.07 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.57 ' O ' ' O ' ' B' ' 37' ' ' LEU . 42.6 mt -99.2 141.61 31.75 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.253 0.549 . . . . 0.0 111.594 -178.615 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.473 ' OG ' ' N ' ' B' ' 43' ' ' GLY . 27.5 p -114.57 -61.36 1.76 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.496 179.504 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . 0.473 ' N ' ' OG ' ' B' ' 42' ' ' SER . . . -58.91 -39.34 93.91 Favored Glycine 0 CA--C 1.531 1.079 0 CA-C-N 115.872 -0.604 . . . . 0.0 113.983 -178.213 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -61.66 -51.95 66.33 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 117.976 0.888 . . . . 0.0 112.337 -178.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -73.27 -40.85 64.26 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 120.155 -0.618 . . . . 0.0 111.042 178.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -61.51 -33.59 74.07 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.622 -0.717 . . . . 0.0 112.088 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.48 -34.95 71.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 112.05 -177.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.534 ' C ' ' H ' ' B' ' 50' ' ' ASP . 93.9 mm-40 -61.69 -34.32 75.54 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.133 -0.627 . . . . 0.0 109.744 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 49.2 tttp 66.84 -31.03 0.16 Allowed 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.93 179.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . 0.534 ' H ' ' C ' ' B' ' 48' ' ' GLN . 87.8 m-20 -70.75 142.51 51.41 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.406 -0.518 . . . . 0.0 111.223 -179.816 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 4.7 m -72.75 -29.66 30.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.629 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -86.5 5.13 36.84 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.276 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.71 -38.77 75.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.86 -178.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.527 ' CG1' ' N ' ' B' ' 55' ' ' ASP . 7.0 p -59.65 -43.87 92.22 Favored 'Isoleucine or valine' 0 C--O 1.239 0.538 0 C-N-CA 119.808 -0.757 . . . . 0.0 109.994 179.277 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.527 ' N ' ' CG1' ' B' ' 54' ' ' VAL . 91.6 m-20 -61.71 -42.98 99.67 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.873 179.131 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -61.68 -38.99 89.84 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.349 178.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 79.0 t -64.9 -44.33 96.21 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.832 -179.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' MET . . . . . 0.53 ' CE ' ' O ' ' B' ' 67' ' ' GLY . 0.0 OUTLIER -68.45 -33.07 73.54 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 113.742 1.016 . . . . 0.0 113.742 -178.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.606 ' CB ' ' NZ ' ' B' ' 59' ' ' LYS . 0.1 OUTLIER -59.34 -41.7 89.8 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -177.645 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -73.22 -37.02 66.57 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 119.716 -0.794 . . . . 0.0 111.061 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.438 ' O ' ' CD ' ' B' ' 73' ' ' GLU . 87.0 mt -67.72 -34.09 76.16 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 115.897 -0.592 . . . . 0.0 112.446 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.495 ' OD1' ' OD1' ' B' ' 66' ' ' ASP . 43.9 t0 -75.7 91.75 2.93 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 118.734 -1.186 . . . . 0.0 112.041 -177.618 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -65.67 -46.35 79.42 Favored 'General case' 0 CA--C 1.509 -0.634 0 CA-C-O 122.82 1.295 . . . . 0.0 110.99 176.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 31.4 m120 -59.18 -34.88 72.65 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-N 112.182 -2.281 . . . . 0.0 113.006 -178.049 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.443 ' C ' ' OD2' ' B' ' 62' ' ' ASP . . . 89.45 4.18 73.98 Favored Glycine 0 CA--C 1.528 0.89 0 N-CA-C 108.18 -1.968 . . . . 0.0 108.18 -176.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.647 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 49.7 p30 -61.73 -32.13 72.34 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 113.958 -1.121 . . . . 0.0 112.919 -179.675 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.647 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 98.85 -4.02 59.08 Favored Glycine 0 CA--C 1.521 0.417 0 N-CA-C 109.185 -1.566 . . . . 0.0 109.185 -178.332 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.469 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 54.2 mp0 -112.98 156.52 22.89 Favored 'General case' 0 C--O 1.243 0.717 0 CA-C-N 114.458 -0.871 . . . . 0.0 111.164 178.456 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 54.2 t -104.36 132.53 50.74 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 CA-C-N 115.08 -0.964 . . . . 0.0 108.626 178.081 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -98.9 159.2 15.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.072 0.463 . . . . 0.0 111.024 -178.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -50.71 -44.33 58.02 Favored 'General case' 0 C--O 1.22 -0.485 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.633 -178.473 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -61.73 -40.51 95.31 Favored 'General case' 0 C--O 1.244 0.791 0 C-N-CA 119.784 -0.766 . . . . 0.0 110.824 178.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.438 ' CD ' ' O ' ' B' ' 61' ' ' LEU . 92.7 mt-10 -64.99 -41.53 95.31 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-O 122.164 0.983 . . . . 0.0 109.931 179.791 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . 0.525 ' OH ' ' CD1' ' A' ' 4' ' ' LEU . 59.1 t80 -63.56 -40.98 98.37 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-N 114.518 -1.219 . . . . 0.0 109.913 178.734 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -61.47 -48.59 88.13 Favored 'Isoleucine or valine' 0 C--O 1.247 0.961 0 CA-C-N 113.708 -1.587 . . . . 0.0 110.27 -179.154 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 13.3 m -67.49 -34.45 68.56 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 C-N-CA 118.093 -1.443 . . . . 0.0 109.241 178.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 54.0 tp -56.66 -52.99 62.79 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 119.415 -0.914 . . . . 0.0 112.293 178.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.495 ' O ' ' OG1' ' B' ' 82' ' ' THR . 31.9 m -70.34 -35.71 63.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 C-N-CA 118.832 -1.147 . . . . 0.0 111.945 -178.79 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.96 -48.31 63.5 Favored 'General case' 0 C--O 1.249 1.053 0 C-N-CA 118.983 -1.087 . . . . 0.0 111.718 -179.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.09 -40.26 97.14 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 179.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 5.5 mp -65.34 -34.01 77.32 Favored 'General case' 0 C--O 1.218 -0.569 0 C-N-CA 119.237 -0.985 . . . . 0.0 109.77 176.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.495 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 39.3 m -62.98 -49.82 73.18 Favored 'General case' 0 C--O 1.244 0.771 0 C-N-CA 119.633 -0.827 . . . . 0.0 111.298 179.762 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 13.4 p -64.16 -39.23 84.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 C-N-CA 118.976 -1.09 . . . . 0.0 110.693 178.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.51 -29.74 70.42 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 121.116 0.484 . . . . 0.0 109.869 178.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 47.5 t -68.45 -54.49 16.67 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.554 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -56.16 -41.25 75.15 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 118.669 -1.213 . . . . 0.0 108.699 178.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -59.73 -37.98 80.45 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.955 178.112 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.518 ' O ' ' O ' ' B' ' 91' ' ' GLU . 67.7 t80 -63.81 -46.21 86.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.213 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -65.66 -54.27 29.83 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.431 -0.507 . . . . 0.0 112.028 -178.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.608 ' CE2' ' OH ' ' A' ' 26' ' ' TYR . 23.8 t-105 -65.14 -41.19 95.0 Favored 'General case' 0 CA--C 1.52 -0.197 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.588 ' OE1' ' N ' ' B' ' 92' ' ' ASN . 1.3 tm-20 -98.3 144.65 27.49 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.914 -177.812 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . 0.588 ' N ' ' OE1' ' B' ' 91' ' ' GLU . 86.1 m-20 -55.24 -34.36 63.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.903 -179.715 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 4.4 t . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 117.915 -1.041 . . . . 0.0 110.508 179.976 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 201' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.564 ' N ' ' CD ' ' B' ' 40' ' ' GLU . . . . . . . . 0 CA--C 1.525 0.671 0 N-CA-C 111.387 -0.685 . . . . 0.0 111.387 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.0 p -68.54 -17.42 64.15 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -179.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -59.27 -40.88 87.47 Favored 'General case' 0 C--O 1.237 0.427 0 N-CA-C 113.472 0.916 . . . . 0.0 113.472 -176.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.1 tt -63.98 -42.43 97.24 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 118.069 -1.453 . . . . 0.0 107.89 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.401 ' OE2' ' CD2' ' B' ' 41' ' ' LEU . 72.0 mm-40 -66.15 -36.62 83.6 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.673 177.535 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 44.7 m -59.19 -42.07 90.02 Favored 'General case' 0 C--O 1.239 0.527 0 C-N-CA 119.475 -0.89 . . . . 0.0 108.925 179.241 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.31 -45.69 86.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.322 179.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 99.4 mtp -59.71 -41.02 89.9 Favored 'General case' 0 C--O 1.244 0.804 0 CA-C-O 121.453 0.644 . . . . 0.0 110.123 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -64.79 -36.62 84.9 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.731 177.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 55.3 m -63.64 -42.21 98.16 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 119.49 -0.884 . . . . 0.0 109.871 178.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 38.0 mt -59.55 -43.05 93.66 Favored 'General case' 0 C--O 1.24 0.566 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 98.3 mt -61.86 -45.49 98.58 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.12 0 CA-C-N 115.009 -0.996 . . . . 0.0 111.819 178.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -61.39 -41.34 96.95 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.551 0.575 . . . . 0.0 112.551 -178.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 16.0 m -72.81 -38.64 57.91 Favored 'Isoleucine or valine' 0 C--O 1.256 1.426 0 C-N-CA 118.701 -1.2 . . . . 0.0 110.107 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.549 ' O ' ' HD2' ' A' ' 18' ' ' HIS . 89.1 t80 -60.94 -42.7 98.73 Favored 'General case' 0 C--N 1.349 0.563 0 CA-C-O 122.119 0.961 . . . . 0.0 110.131 177.144 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -67.57 -33.84 75.84 Favored 'General case' 0 N--CA 1.435 -1.219 0 C-N-CA 119.65 -0.82 . . . . 0.0 109.199 177.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.497 ' O ' ' HB2' ' A' ' 21' ' ' LYS . . . -59.63 -51.13 71.15 Favored 'General case' 0 N--CA 1.437 -1.121 0 C-N-CA 118.795 -1.162 . . . . 0.0 111.079 -178.697 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.588 ' CD2' ' H ' ' A' ' 19' ' ' SER . 0.5 OUTLIER -80.76 -49.11 11.57 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 117.127 -1.829 . . . . 0.0 113.753 179.864 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.588 ' H ' ' CD2' ' A' ' 18' ' ' HIS . 22.9 t -60.86 -41.0 95.06 Favored 'General case' 0 C--N 1.35 0.61 0 C-N-CA 118.318 -1.353 . . . . 0.0 109.542 -179.54 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.21 -45.18 62.56 Favored Glycine 0 C--N 1.343 0.937 0 O-C-N 123.976 0.798 . . . . 0.0 112.086 178.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.497 ' HB2' ' O ' ' A' ' 17' ' ' ALA . 6.1 ttpm? -59.43 -41.87 90.55 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.225 -0.59 . . . . 0.0 112.114 -179.399 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.439 ' C ' ' OE2' ' A' ' 32' ' ' GLU . 97.1 mt-10 -129.18 153.29 47.87 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 54.6 -146.05 26.97 Favored Glycine 0 N--CA 1.465 0.573 0 CA-C-N 115.551 -0.749 . . . . 0.0 112.461 177.577 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -71.07 138.04 49.45 Favored 'General case' 0 CA--C 1.52 -0.181 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 179.255 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.49 ' O ' ' OG ' ' A' ' 19' ' ' SER . 34.5 mtmt -61.26 -32.28 72.09 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 -178.269 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.617 ' OH ' ' CD2' ' B' ' 90' ' ' TRP . 97.6 m-85 -107.17 18.82 21.22 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 113.472 0.916 . . . . 0.0 113.472 -177.423 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.6 tptt -140.83 139.63 34.53 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 119.238 -0.985 . . . . 0.0 108.82 177.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.48 HD12 ' ND1' ' A' ' 18' ' ' HIS . 18.5 tp -112.46 132.02 55.27 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 111.979 0.362 . . . . 0.0 111.979 -176.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 91.7 p -102.76 164.71 11.47 Favored 'General case' 0 C--O 1.239 0.522 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 179.158 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.0 ttpt -53.51 -45.97 69.91 Favored 'General case' 0 C--O 1.243 0.72 0 CA-C-O 121.346 0.593 . . . . 0.0 111.941 -177.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.561 ' CG ' ' N ' ' A' ' 32' ' ' GLU . 55.1 pttt -59.29 -46.77 87.65 Favored 'General case' 0 N--CA 1.438 -1.067 0 C-N-CA 119.779 -0.769 . . . . 0.0 109.909 -178.651 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.561 ' N ' ' CG ' ' A' ' 31' ' ' LYS . 94.0 mt-10 -62.04 -49.23 76.85 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 119.619 -0.833 . . . . 0.0 111.815 -177.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.48 -37.57 75.81 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 116.393 -2.123 . . . . 0.0 108.712 178.551 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.749 ' NZ ' HE21 ' A' ' 38' ' ' GLN . 13.2 tptp -53.66 -36.59 62.29 Favored 'General case' 0 N--CA 1.441 -0.924 0 C-N-CA 117.934 -1.506 . . . . 0.0 108.227 -178.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.449 ' O ' ' CG2' ' A' ' 39' ' ' THR . 97.1 mt-10 -73.02 -43.44 62.1 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 120.093 -0.643 . . . . 0.0 112.289 178.678 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.516 HD11 ' CE1' ' A' ' 18' ' ' HIS . 5.5 tt -68.06 -47.76 67.45 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 118.764 -1.174 . . . . 0.0 112.125 -177.587 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.549 ' O ' ' O ' ' A' ' 41' ' ' LEU . 1.8 mm? -59.09 -42.46 90.52 Favored 'General case' 0 CA--C 1.518 -0.251 0 C-N-CA 118.287 -1.365 . . . . 0.0 109.998 -178.656 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.749 HE21 ' NZ ' ' A' ' 34' ' ' LYS . 97.8 mt-30 -64.53 -39.95 94.72 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.245 -0.582 . . . . 0.0 111.955 178.487 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.449 ' CG2' ' O ' ' A' ' 35' ' ' GLU . 60.0 p -70.32 -40.81 73.95 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 120.034 -0.666 . . . . 0.0 112.617 -178.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.562 ' CD ' ' N ' ' B' ' 1' ' ' GLY . 80.7 mm-40 -92.12 -50.88 5.45 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.549 ' O ' ' O ' ' A' ' 37' ' ' LEU . 26.1 mt -103.47 141.77 35.41 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-O 121.289 0.566 . . . . 0.0 112.014 -177.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.1 m -113.35 -65.41 1.19 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.243 178.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.15 -38.02 92.54 Favored Glycine 0 CA--C 1.533 1.17 0 CA-C-N 115.457 -0.792 . . . . 0.0 114.121 -178.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -59.92 -53.03 62.62 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 118.154 0.977 . . . . 0.0 112.393 -177.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -74.16 -37.23 64.07 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 120.517 -0.473 . . . . 0.0 111.564 178.325 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -59.06 -29.6 67.43 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.503 -179.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.21 -29.84 58.77 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.728 -177.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.2 mm-40 -92.46 118.42 30.94 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 119.482 -0.887 . . . . 0.0 109.854 179.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -63.31 -36.53 83.98 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 113.758 1.021 . . . . 0.0 113.758 -179.028 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -70.38 142.34 52.1 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 -177.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.4 m -74.03 -27.34 22.1 Favored 'Isoleucine or valine' 0 C--O 1.231 0.1 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.323 178.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -78.73 0.07 28.24 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.488 179.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.91 -37.25 71.17 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.262 -0.881 . . . . 0.0 109.994 -179.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.531 ' CG1' ' N ' ' A' ' 55' ' ' ASP . 8.0 p -60.19 -43.04 92.33 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 C-N-CA 119.802 -0.759 . . . . 0.0 109.768 178.72 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.531 ' N ' ' CG1' ' A' ' 54' ' ' VAL . 22.0 t70 -61.51 -42.39 98.73 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 179.062 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -61.68 -39.49 91.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.762 179.198 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 77.1 t -65.68 -45.23 92.63 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 CA-C-N 116.081 -0.508 . . . . 0.0 112.077 -179.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.5 ppp? -66.62 -33.38 75.52 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 -177.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 29.1 mmtm -59.31 -39.86 84.39 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 118.871 -1.132 . . . . 0.0 110.423 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -64.08 -38.9 92.75 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.476 178.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 63.5 mt -67.89 -35.84 79.19 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-N 115.481 -0.782 . . . . 0.0 112.303 -178.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.4 ' CG ' ' H ' ' A' ' 65' ' ' GLY . 44.1 t0 -72.09 73.83 0.92 Allowed 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 118.414 -1.314 . . . . 0.0 110.577 -178.138 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -63.24 -37.83 88.79 Favored 'General case' 0 CA--C 1.497 -1.077 0 N-CA-C 106.986 -1.487 . . . . 0.0 106.986 175.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.475 ' OD1' ' CG ' ' A' ' 66' ' ' ASP . 18.1 t-20 -58.05 -39.8 79.35 Favored 'General case' 0 N--CA 1.43 -1.461 0 CA-C-N 111.583 -2.553 . . . . 0.0 111.289 178.51 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.4 ' H ' ' CG ' ' A' ' 62' ' ' ASP . . . 79.9 18.9 71.48 Favored Glycine 0 CA--C 1.53 0.99 0 CA-C-N 116.252 -0.431 . . . . 0.0 112.881 178.069 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.512 ' O ' ' OE1' ' A' ' 68' ' ' GLU . 54.9 p30 -89.59 2.29 54.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 117.487 0.644 . . . . 0.0 112.666 -179.543 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 87.68 -2.8 86.22 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.221 -1.152 . . . . 0.0 110.221 179.242 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.512 ' OE1' ' O ' ' A' ' 66' ' ' ASP . 51.5 mp0 -120.5 158.94 26.2 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.842 -0.679 . . . . 0.0 111.338 179.52 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.405 ' HA ' ' OE1' ' A' ' 73' ' ' GLU . 48.7 t -104.71 130.14 56.14 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 N-CA-C 106.724 -1.584 . . . . 0.0 106.724 176.34 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -101.84 161.72 13.45 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.226 0.536 . . . . 0.0 111.584 -177.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -50.26 -43.8 53.41 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-N 115.401 -0.818 . . . . 0.0 108.984 -178.559 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -61.76 -40.14 94.07 Favored 'General case' 0 C--O 1.245 0.833 0 C-N-CA 119.83 -0.748 . . . . 0.0 110.686 178.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.405 ' OE1' ' HA ' ' A' ' 69' ' ' VAL . 74.2 mt-10 -64.69 -42.44 95.32 Favored 'General case' 0 C--O 1.242 0.705 0 CA-C-O 122.263 1.03 . . . . 0.0 109.85 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -63.12 -41.32 99.32 Favored 'General case' 0 C--O 1.241 0.623 0 CA-C-N 114.653 -1.158 . . . . 0.0 110.321 178.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -59.94 -47.96 89.64 Favored 'Isoleucine or valine' 0 C--O 1.248 1.01 0 CA-C-N 113.623 -1.626 . . . . 0.0 109.967 -179.163 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 15.5 m -67.27 -34.86 71.8 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.573 0 C-N-CA 117.804 -1.559 . . . . 0.0 109.386 178.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 34.8 tp -56.56 -51.81 67.17 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 118.793 -1.163 . . . . 0.0 111.992 178.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.436 ' O ' ' OG1' ' A' ' 82' ' ' THR . 35.5 m -68.84 -36.27 73.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 118.316 -1.354 . . . . 0.0 111.738 -178.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.4 -47.8 66.38 Favored 'General case' 0 C--O 1.248 1.006 0 C-N-CA 119.064 -1.054 . . . . 0.0 111.991 -179.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.409 ' O ' HG12 ' A' ' 83' ' ' VAL . . . -63.25 -40.07 96.4 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 179.456 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 9.2 mp -64.36 -34.93 79.3 Favored 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 119.231 -0.988 . . . . 0.0 109.684 176.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.436 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 36.6 m -63.18 -49.84 72.69 Favored 'General case' 0 C--O 1.246 0.88 0 C-N-CA 119.853 -0.739 . . . . 0.0 111.638 179.665 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.43 ' O ' ' OD1' ' A' ' 87' ' ' ASN . 14.5 p -63.1 -39.21 84.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 118.956 -1.097 . . . . 0.0 110.29 178.697 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.44 -30.72 71.54 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 121.035 0.445 . . . . 0.0 110.041 178.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 5.5 t -67.13 -54.23 23.23 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.35 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 35.0 t30 -56.07 -41.29 74.89 Favored 'General case' 0 C--O 1.239 0.513 0 C-N-CA 118.703 -1.199 . . . . 0.0 108.777 179.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.695 ' O ' ' HB2' ' A' ' 91' ' ' GLU . 25.3 m120 -59.95 -41.69 92.4 Favored 'General case' 0 C--O 1.203 -1.366 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.203 178.374 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.549 ' O ' ' O ' ' A' ' 91' ' ' GLU . 68.0 t80 -64.32 -41.6 96.74 Favored 'General case' 0 C--N 1.302 -1.486 0 C-N-CA 118.214 -1.394 . . . . 0.0 111.096 179.357 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -64.91 -59.83 3.75 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 119.907 -0.717 . . . . 0.0 112.272 -178.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.615 ' CD2' ' OH ' ' B' ' 26' ' ' TYR . 21.2 t-105 -68.09 -42.59 80.12 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 119.898 -0.721 . . . . 0.0 111.777 179.184 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.695 ' HB2' ' O ' ' A' ' 87' ' ' ASN . 60.4 mm-40 -98.7 146.38 25.93 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.751 -1.113 . . . . 0.0 111.708 -179.068 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 40.9 p-10 -138.88 -178.07 5.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.461 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 33.4 m . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.545 179.973 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . 0.562 ' N ' ' CD ' ' A' ' 40' ' ' GLU . . . . . . . . 0 CA--C 1.525 0.706 0 N-CA-C 111.331 -0.708 . . . . 0.0 111.331 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 83.9 p -68.41 -17.53 64.24 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -179.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -59.26 -40.86 87.33 Favored 'General case' 0 C--O 1.238 0.461 0 N-CA-C 113.507 0.928 . . . . 0.0 113.507 -176.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.1 tt -63.98 -42.47 97.22 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 118.027 -1.469 . . . . 0.0 107.906 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -66.01 -36.65 83.84 Favored 'General case' 0 C--O 1.22 -0.47 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.726 177.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 44.2 m -59.29 -41.83 89.86 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 119.469 -0.892 . . . . 0.0 108.888 179.301 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.55 -45.61 86.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.407 179.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 99.3 mtp -59.69 -41.02 89.79 Favored 'General case' 0 C--O 1.246 0.889 0 CA-C-O 121.429 0.633 . . . . 0.0 110.21 179.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -64.74 -37.32 87.2 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.619 178.01 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 54.0 m -62.84 -42.46 99.75 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 119.456 -0.898 . . . . 0.0 110.042 178.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 43.2 mt -59.48 -43.02 93.36 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.429 HG21 HD11 ' B' ' 12' ' ' ILE . 98.3 mt -61.71 -45.55 98.43 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.121 0 CA-C-N 115.006 -0.997 . . . . 0.0 111.796 178.752 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -61.35 -41.44 97.06 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 -178.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 16.0 m -72.83 -38.65 57.74 Favored 'Isoleucine or valine' 0 C--O 1.256 1.398 0 C-N-CA 118.723 -1.191 . . . . 0.0 110.112 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.55 ' O ' ' HD2' ' B' ' 18' ' ' HIS . 88.9 t80 -60.83 -42.79 98.41 Favored 'General case' 0 C--N 1.348 0.511 0 CA-C-O 122.192 0.996 . . . . 0.0 110.205 177.034 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -67.56 -33.84 75.86 Favored 'General case' 0 N--CA 1.435 -1.186 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.207 177.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.502 ' O ' ' HB2' ' B' ' 21' ' ' LYS . . . -59.7 -51.04 71.5 Favored 'General case' 0 N--CA 1.435 -1.184 0 C-N-CA 118.82 -1.152 . . . . 0.0 111.118 -178.707 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.592 ' CD2' ' H ' ' B' ' 19' ' ' SER . 0.5 OUTLIER -80.77 -49.12 11.55 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 117.165 -1.814 . . . . 0.0 113.738 179.859 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.592 ' H ' ' CD2' ' B' ' 18' ' ' HIS . 23.2 t -60.89 -40.97 95.06 Favored 'General case' 0 C--N 1.349 0.586 0 C-N-CA 118.278 -1.369 . . . . 0.0 109.593 -179.552 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.26 -45.14 62.46 Favored Glycine 0 C--N 1.344 0.984 0 CA-C-N 115.524 -0.762 . . . . 0.0 112.037 178.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.502 ' HB2' ' O ' ' B' ' 17' ' ' ALA . 6.1 ttpm? -59.39 -41.96 90.6 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.214 -0.594 . . . . 0.0 112.074 -179.388 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.44 ' C ' ' OE2' ' B' ' 32' ' ' GLU . 97.2 mt-10 -129.09 153.36 47.72 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 54.45 -145.88 26.6 Favored Glycine 0 N--CA 1.465 0.602 0 CA-C-N 115.607 -0.724 . . . . 0.0 112.458 177.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -71.12 138.06 49.37 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 179.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.495 ' O ' ' OG ' ' B' ' 19' ' ' SER . 34.6 mtmt -61.36 -32.28 72.18 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -178.296 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.615 ' OH ' ' CD2' ' A' ' 90' ' ' TRP . 97.7 m-85 -107.09 18.76 21.33 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 -177.505 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 31.6 tptt -140.74 139.77 34.72 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 119.238 -0.985 . . . . 0.0 108.991 177.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.471 HD12 ' ND1' ' B' ' 18' ' ' HIS . 18.4 tp -112.57 132.0 55.34 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -176.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.405 ' HG ' ' HG3' ' B' ' 32' ' ' GLU . 91.7 p -102.78 164.8 11.42 Favored 'General case' 0 C--O 1.238 0.485 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 179.131 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 20.0 ttpt -53.69 -45.83 70.51 Favored 'General case' 0 C--O 1.243 0.75 0 CA-C-O 121.258 0.552 . . . . 0.0 111.947 -176.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.552 ' CG ' ' N ' ' B' ' 32' ' ' GLU . 55.1 pttt -59.39 -46.74 87.83 Favored 'General case' 0 N--CA 1.439 -1.022 0 C-N-CA 119.737 -0.785 . . . . 0.0 109.848 -178.665 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.552 ' N ' ' CG ' ' B' ' 31' ' ' LYS . 94.0 mt-10 -61.98 -49.24 76.86 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 119.656 -0.818 . . . . 0.0 111.802 -177.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.51 -37.57 75.87 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 116.464 -2.094 . . . . 0.0 108.662 178.564 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.738 ' NZ ' HE21 ' B' ' 38' ' ' GLN . 13.2 tptp -53.66 -36.62 62.32 Favored 'General case' 0 N--CA 1.441 -0.896 0 C-N-CA 117.944 -1.503 . . . . 0.0 108.227 -178.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.449 ' O ' ' CG2' ' B' ' 39' ' ' THR . 97.1 mt-10 -73.04 -43.39 62.08 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 120.062 -0.655 . . . . 0.0 112.28 178.692 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.518 HD11 ' CE1' ' B' ' 18' ' ' HIS . 5.5 tt -68.15 -47.68 67.4 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 118.678 -1.209 . . . . 0.0 112.16 -177.567 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.55 ' O ' ' O ' ' B' ' 41' ' ' LEU . 1.8 mm? -58.97 -42.52 90.14 Favored 'General case' 0 CA--C 1.518 -0.254 0 C-N-CA 118.3 -1.36 . . . . 0.0 110.052 -178.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.738 HE21 ' NZ ' ' B' ' 34' ' ' LYS . 97.9 mt-30 -64.59 -40.0 94.74 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.274 -0.57 . . . . 0.0 111.9 178.581 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.449 ' CG2' ' O ' ' B' ' 35' ' ' GLU . 59.5 p -70.25 -40.75 74.24 Favored 'General case' 0 N--CA 1.462 0.163 0 C-N-CA 119.955 -0.698 . . . . 0.0 112.635 -178.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.564 ' CD ' ' N ' ' A' ' 1' ' ' GLY . 80.7 mm-40 -92.17 -50.86 5.46 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.55 ' O ' ' O ' ' B' ' 37' ' ' LEU . 26.1 mt -103.41 141.68 35.55 Favored 'General case' 0 N--CA 1.461 0.09 0 CA-C-O 121.228 0.537 . . . . 0.0 112.079 -178.036 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.1 m -113.34 -65.33 1.2 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.217 178.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.12 -38.08 92.57 Favored Glycine 0 CA--C 1.533 1.191 0 CA-C-N 115.565 -0.743 . . . . 0.0 114.167 -178.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -59.91 -53.01 62.9 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 118.071 0.935 . . . . 0.0 112.379 -177.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -74.13 -37.31 64.12 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 120.578 -0.449 . . . . 0.0 111.538 178.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -59.07 -29.58 67.43 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.49 -179.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.21 -29.81 58.69 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.714 -177.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 89.2 mm-40 -92.5 118.41 30.95 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 119.589 -0.844 . . . . 0.0 109.768 179.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -63.4 -36.47 83.84 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 113.782 1.031 . . . . 0.0 113.782 -179.047 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -70.43 142.29 52.01 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.727 0.639 . . . . 0.0 112.727 -177.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 4.4 m -73.92 -27.38 22.4 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.373 178.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -78.68 -0.08 28.66 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.23 -0.895 . . . . 0.0 109.419 179.439 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.79 -37.3 70.93 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.07 -179.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.529 ' CG1' ' N ' ' B' ' 55' ' ' ASP . 7.9 p -60.1 -43.1 92.11 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.298 0 C-N-CA 119.828 -0.749 . . . . 0.0 109.816 178.675 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.529 ' N ' ' CG1' ' B' ' 54' ' ' VAL . 22.0 t70 -61.57 -42.35 98.72 Favored 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 179.106 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -61.69 -39.52 91.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.845 179.109 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 76.6 t -65.63 -45.21 92.86 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 CA-C-N 116.068 -0.515 . . . . 0.0 112.137 -179.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 1.5 ppp? -66.59 -33.35 75.47 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 114.66 1.356 . . . . 0.0 114.66 -177.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 29.1 mmtm -59.4 -39.82 84.63 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 118.853 -1.139 . . . . 0.0 110.325 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -64.13 -38.82 92.45 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.116 0.484 . . . . 0.0 110.541 178.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 63.6 mt -67.91 -35.89 79.25 Favored 'General case' 0 CA--C 1.511 -0.552 0 CA-C-N 115.503 -0.772 . . . . 0.0 112.265 -178.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.405 ' CG ' ' H ' ' B' ' 65' ' ' GLY . 44.0 t0 -72.11 73.83 0.92 Allowed 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 118.386 -1.326 . . . . 0.0 110.616 -178.163 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -63.16 -37.83 88.76 Favored 'General case' 0 CA--C 1.498 -1.034 0 N-CA-C 107.027 -1.472 . . . . 0.0 107.027 175.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.479 ' OD1' ' OD2' ' B' ' 66' ' ' ASP . 18.1 t-20 -58.12 -39.76 79.51 Favored 'General case' 0 N--CA 1.43 -1.449 0 CA-C-N 111.555 -2.566 . . . . 0.0 111.234 178.532 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.405 ' H ' ' CG ' ' B' ' 62' ' ' ASP . . . 79.93 18.84 71.55 Favored Glycine 0 CA--C 1.53 0.996 0 C-N-CA 121.39 -0.433 . . . . 0.0 112.891 178.101 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.518 ' O ' ' OE1' ' B' ' 68' ' ' GLU . 54.7 p30 -89.59 2.39 54.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 117.499 0.649 . . . . 0.0 112.717 -179.559 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 87.62 -2.8 86.31 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.145 -1.182 . . . . 0.0 110.145 179.185 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.518 ' OE1' ' O ' ' B' ' 66' ' ' ASP . 51.7 mp0 -120.52 159.0 26.07 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.922 -0.639 . . . . 0.0 111.26 179.519 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.403 ' HA ' ' OE1' ' B' ' 73' ' ' GLU . 48.7 t -104.71 130.14 56.12 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.657 0 N-CA-C 106.791 -1.559 . . . . 0.0 106.791 176.316 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -101.37 161.63 13.49 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.126 0.488 . . . . 0.0 111.575 -177.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -50.4 -43.78 54.75 Favored 'General case' 0 C--O 1.219 -0.506 0 CA-C-N 115.484 -0.78 . . . . 0.0 108.937 -178.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -61.85 -40.07 94.05 Favored 'General case' 0 C--O 1.244 0.815 0 C-N-CA 119.708 -0.797 . . . . 0.0 110.684 178.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.403 ' OE1' ' HA ' ' B' ' 69' ' ' VAL . 74.3 mt-10 -64.65 -42.42 95.43 Favored 'General case' 0 C--O 1.242 0.684 0 CA-C-O 122.181 0.991 . . . . 0.0 109.843 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -63.09 -41.39 99.38 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-N 114.677 -1.147 . . . . 0.0 110.288 178.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -59.95 -47.94 89.73 Favored 'Isoleucine or valine' 0 C--O 1.248 1.013 0 CA-C-N 113.645 -1.616 . . . . 0.0 109.886 -179.07 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 15.8 m -67.34 -34.79 71.15 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.556 0 C-N-CA 117.836 -1.546 . . . . 0.0 109.357 178.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 34.5 tp -56.6 -51.89 66.91 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 118.732 -1.187 . . . . 0.0 111.969 178.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.43 ' O ' ' OG1' ' B' ' 82' ' ' THR . 35.5 m -68.68 -36.37 74.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 C-N-CA 118.33 -1.348 . . . . 0.0 111.773 -178.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.34 -47.92 66.21 Favored 'General case' 0 C--O 1.249 1.035 0 C-N-CA 119.137 -1.025 . . . . 0.0 111.933 -179.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . 0.408 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -63.14 -40.11 96.63 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 179.457 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 9.1 mp -64.33 -35.06 79.65 Favored 'General case' 0 N--CA 1.445 -0.708 0 C-N-CA 119.106 -1.038 . . . . 0.0 109.709 176.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 36.3 m -62.92 -49.88 73.05 Favored 'General case' 0 C--O 1.246 0.877 0 C-N-CA 119.849 -0.74 . . . . 0.0 111.699 179.696 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.442 ' O ' ' OD1' ' B' ' 87' ' ' ASN . 14.5 p -63.06 -39.27 84.57 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 119.029 -1.069 . . . . 0.0 110.321 178.688 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.48 -30.58 71.38 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-O 121.026 0.441 . . . . 0.0 110.049 178.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 5.5 t -67.23 -54.2 23.14 Favored 'General case' 0 CA--C 1.509 -0.623 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.341 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 35.0 t30 -56.09 -41.29 74.96 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 118.747 -1.181 . . . . 0.0 108.824 179.01 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . 0.703 ' O ' ' HB2' ' B' ' 91' ' ' GLU . 25.2 m120 -59.87 -41.79 92.3 Favored 'General case' 0 C--O 1.202 -1.443 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.19 178.337 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.559 ' O ' ' O ' ' B' ' 91' ' ' GLU . 67.9 t80 -64.24 -41.63 96.88 Favored 'General case' 0 C--N 1.302 -1.483 0 C-N-CA 118.183 -1.407 . . . . 0.0 111.135 179.35 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -64.95 -59.85 3.7 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 119.92 -0.712 . . . . 0.0 112.202 -178.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.617 ' CD2' ' OH ' ' A' ' 26' ' ' TYR . 21.1 t-105 -68.09 -42.57 80.16 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 119.935 -0.706 . . . . 0.0 111.816 179.169 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.703 ' HB2' ' O ' ' B' ' 87' ' ' ASN . 60.7 mm-40 -98.6 146.28 25.98 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 114.696 -1.138 . . . . 0.0 111.815 -179.132 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 40.9 p-10 -138.81 -178.09 5.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.512 179.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 33.5 m . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 118.028 -0.987 . . . . 0.0 110.599 179.897 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 201' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.55 ' O ' ' OE1' ' B' ' 40' ' ' GLU . . . . . . . . 0 CA--C 1.528 0.88 0 N-CA-C 110.826 -0.909 . . . . 0.0 110.826 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.4 p -66.66 -11.85 55.7 Favored 'General case' 0 C--N 1.317 -0.818 0 O-C-N 122.609 -0.348 . . . . 0.0 110.565 179.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -59.49 -38.83 81.92 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 113.585 0.957 . . . . 0.0 113.585 -177.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.8 tt -64.05 -42.33 97.08 Favored 'General case' 0 C--O 1.244 0.774 0 C-N-CA 118.414 -1.314 . . . . 0.0 108.519 -179.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.454 ' C ' ' OE1' ' A' ' 5' ' ' GLU . 6.6 tm-20 -64.4 -40.42 95.75 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 114.643 -1.162 . . . . 0.0 109.57 179.575 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 44.9 m -60.07 -40.31 89.08 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.459 179.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.1 -44.43 92.32 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.157 179.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 97.7 mtp -58.53 -41.14 84.84 Favored 'General case' 0 C--O 1.25 1.08 0 CA-C-O 121.846 0.831 . . . . 0.0 109.204 178.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -65.2 -35.29 80.6 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.135 -0.939 . . . . 0.0 110.385 178.007 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 47.6 m -64.17 -43.26 95.68 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 119.847 -0.741 . . . . 0.0 110.029 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 40.4 mt -62.43 -42.86 99.76 Favored 'General case' 0 C--O 1.239 0.534 0 C-N-CA 119.378 -0.929 . . . . 0.0 109.092 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.408 HG21 HD12 ' A' ' 12' ' ' ILE . 96.7 mt -62.2 -46.53 96.25 Favored 'Isoleucine or valine' 0 C--O 1.232 0.141 0 C-N-CA 119.873 -0.731 . . . . 0.0 111.54 178.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -61.92 -41.47 97.98 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 -178.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.1 m -73.72 -40.79 54.5 Favored 'Isoleucine or valine' 0 C--O 1.254 1.305 0 C-N-CA 119.104 -1.038 . . . . 0.0 111.399 -179.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -60.36 -47.23 86.96 Favored 'General case' 0 CA--C 1.508 -0.664 0 C-N-CA 119.458 -0.897 . . . . 0.0 109.51 177.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -64.79 -34.94 79.53 Favored 'General case' 0 CA--C 1.503 -0.854 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.218 178.105 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.54 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . -58.05 -52.36 65.86 Favored 'General case' 0 N--CA 1.436 -1.133 0 C-N-CA 118.749 -1.18 . . . . 0.0 110.039 -178.571 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.446 ' CD2' ' HG ' ' A' ' 36' ' ' LEU . 17.0 m-70 -78.81 -49.03 13.66 Favored 'General case' 0 C--N 1.319 -0.748 0 C-N-CA 118.777 -1.169 . . . . 0.0 113.886 -179.681 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 46.9 t -58.31 -43.14 88.03 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 119.615 -0.834 . . . . 0.0 110.629 -179.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -75.35 -44.2 22.87 Favored Glycine 0 CA--C 1.526 0.723 0 C-N-CA 120.778 -0.725 . . . . 0.0 111.757 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.54 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 7.2 ttpm? -59.21 -41.51 88.77 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 -178.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.608 ' OE2' ' NZ ' ' A' ' 31' ' ' LYS . 85.1 tt0 -124.32 141.56 51.97 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -177.72 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.48 -142.83 48.49 Favored Glycine 0 C--N 1.335 0.496 0 CA-C-N 114.936 -1.029 . . . . 0.0 112.548 178.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -70.3 146.02 50.86 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 115.12 -0.54 . . . . 0.0 109.841 179.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.6 mtmm -86.64 149.21 25.07 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 -179.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.605 ' OH ' ' CE3' ' B' ' 90' ' ' TRP . 89.2 m-85 61.22 13.39 4.78 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.4 tptt -138.25 131.34 30.04 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 106.327 -1.731 . . . . 0.0 106.327 175.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.5 tp -108.82 131.36 55.06 Favored 'General case' 0 C--O 1.213 -0.86 0 C-N-CA 120.312 -0.555 . . . . 0.0 110.327 -176.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.8 m -102.6 161.49 13.69 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.4 ttpm? -53.12 -46.88 68.94 Favored 'General case' 0 C--O 1.244 0.779 0 CA-C-O 121.571 0.701 . . . . 0.0 111.823 -177.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.608 ' NZ ' ' OE2' ' A' ' 22' ' ' GLU . 15.6 pttp -59.51 -47.18 86.52 Favored 'General case' 0 N--CA 1.437 -1.086 0 CA-C-N 115.318 -0.855 . . . . 0.0 109.961 -178.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.545 ' N ' ' CG ' ' A' ' 31' ' ' LYS . 95.5 mt-10 -63.52 -47.99 79.4 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 115.61 -0.723 . . . . 0.0 112.302 -178.821 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 pp -61.9 -34.18 75.57 Favored 'General case' 0 CA--C 1.499 -0.983 0 C-N-CA 118.472 -1.291 . . . . 0.0 109.855 -179.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.655 ' NZ ' ' NE2' ' A' ' 38' ' ' GLN . 1.2 tptm -54.43 -37.09 64.73 Favored 'General case' 0 N--CA 1.437 -1.09 0 C-N-CA 117.567 -1.653 . . . . 0.0 107.986 177.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -75.08 -41.74 58.23 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 179.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.446 ' HG ' ' CD2' ' A' ' 18' ' ' HIS . 1.6 tt -64.21 -45.65 87.32 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 120.057 -0.657 . . . . 0.0 111.27 -177.386 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.575 ' O ' ' O ' ' A' ' 41' ' ' LEU . 1.1 mm? -64.7 -43.35 93.77 Favored 'General case' 0 CA--C 1.519 -0.213 0 C-N-CA 119.03 -1.068 . . . . 0.0 111.31 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.655 ' NE2' ' NZ ' ' A' ' 34' ' ' LYS . 95.6 mt-30 -63.22 -39.03 93.47 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.212 -0.595 . . . . 0.0 111.376 179.786 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 76.6 p -72.63 -33.05 66.38 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.45 -0.5 . . . . 0.0 111.857 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.541 ' OE1' ' O ' ' B' ' 1' ' ' GLY . 76.3 mm-40 -100.23 -59.04 1.78 Allowed 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 -179.178 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.575 ' O ' ' O ' ' A' ' 37' ' ' LEU . 56.4 mt -100.82 141.45 33.68 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.346 0.593 . . . . 0.0 111.763 -178.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.2 m -112.24 -63.04 1.48 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.508 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.62 -38.83 92.4 Favored Glycine 0 CA--C 1.531 1.057 0 CA-C-N 115.777 -0.647 . . . . 0.0 114.169 -177.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.484 ' CZ ' ' SD ' ' A' ' 201' ' ' HCS . 89.3 m-85 -61.11 -52.11 66.27 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 118.082 0.941 . . . . 0.0 112.237 -178.108 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -74.08 -40.87 62.46 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 120.274 -0.57 . . . . 0.0 110.958 178.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -61.15 -33.75 73.9 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.615 -0.72 . . . . 0.0 112.12 -179.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.68 -34.3 71.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 112.014 -177.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.569 ' C ' ' H ' ' A' ' 50' ' ' ASP . 94.4 mm-40 -61.43 -34.4 75.33 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 120.153 -0.619 . . . . 0.0 109.874 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 85.4 tttt 65.27 -28.72 0.11 Allowed 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.819 179.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.569 ' H ' ' C ' ' A' ' 48' ' ' GLN . 87.8 m-20 -70.64 142.84 51.59 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.524 -0.47 . . . . 0.0 111.171 -179.746 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.7 m -72.57 -29.61 31.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.508 179.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -87.74 6.49 34.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.439 179.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.51 -39.96 77.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.768 -178.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.515 ' CG1' ' N ' ' A' ' 55' ' ' ASP . 8.1 p -60.45 -43.03 93.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 C-N-CA 119.807 -0.757 . . . . 0.0 110.091 178.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.515 ' N ' ' CG1' ' A' ' 54' ' ' VAL . 85.8 m-20 -61.15 -43.24 99.18 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.808 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -62.4 -40.04 95.19 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.967 179.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 72.7 t -67.05 -47.9 80.74 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.215 0 N-CA-C 113.45 0.907 . . . . 0.0 113.45 -178.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.486 ' C ' ' SD ' ' A' ' 58' ' ' MET . 1.0 OUTLIER -70.89 -36.49 72.78 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 114.361 1.245 . . . . 0.0 114.361 -178.198 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 29.1 mmtm -60.51 -40.27 90.78 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 119.328 -0.949 . . . . 0.0 111.775 -179.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -64.35 -41.3 96.83 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.051 -0.659 . . . . 0.0 110.419 179.254 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.483 ' O ' ' OE1' ' A' ' 73' ' ' GLU . 84.4 mt -68.83 -33.45 73.85 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.06 -0.973 . . . . 0.0 112.859 -179.576 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 51.0 t0 -72.72 84.67 1.19 Allowed 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 118.809 -1.156 . . . . 0.0 110.816 -177.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -63.14 -46.98 84.69 Favored 'General case' 0 CA--C 1.506 -0.749 0 CA-C-O 122.449 1.118 . . . . 0.0 111.085 177.233 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 31.9 m120 -59.03 -35.43 73.28 Favored 'General case' 0 C--N 1.3 -1.564 0 CA-C-N 112.842 -1.981 . . . . 0.0 111.321 -179.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 79.58 20.06 69.7 Favored Glycine 0 CA--C 1.519 0.335 0 N-CA-C 108.376 -1.89 . . . . 0.0 108.376 -177.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.513 ' O ' ' OE1' ' A' ' 68' ' ' GLU . 22.2 p-10 -86.64 1.8 50.61 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 112.675 0.621 . . . . 0.0 112.675 -178.329 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 85.06 -1.1 89.0 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.8 -0.92 . . . . 0.0 110.8 178.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.513 ' OE1' ' O ' ' A' ' 66' ' ' ASP . 53.4 mp0 -121.54 156.11 33.56 Favored 'General case' 0 C--O 1.239 0.531 0 CA-C-O 121.864 0.84 . . . . 0.0 111.754 179.48 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.0 t -107.08 132.03 55.54 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.759 0 N-CA-C 106.331 -1.729 . . . . 0.0 106.331 176.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 51.3 t0 -99.61 160.17 14.49 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.223 0.535 . . . . 0.0 111.621 -177.812 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.522 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 1.0 OUTLIER -50.15 -43.93 52.32 Favored 'General case' 0 C--O 1.217 -0.654 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.331 -178.427 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -61.62 -40.34 94.48 Favored 'General case' 0 C--O 1.247 0.932 0 C-N-CA 119.535 -0.866 . . . . 0.0 110.645 178.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.483 ' OE1' ' O ' ' A' ' 61' ' ' LEU . 85.1 mt-10 -64.71 -42.23 95.43 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-O 122.212 1.006 . . . . 0.0 109.925 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -63.64 -40.83 97.85 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-N 114.721 -1.127 . . . . 0.0 109.952 178.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -60.71 -47.8 91.5 Favored 'Isoleucine or valine' 0 C--O 1.246 0.881 0 CA-C-N 113.872 -1.513 . . . . 0.0 109.842 -178.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 15.0 m -67.65 -34.1 65.93 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.506 0 C-N-CA 117.786 -1.565 . . . . 0.0 109.177 178.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 53.1 tp -56.86 -52.29 65.71 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 119.013 -1.075 . . . . 0.0 112.319 178.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.5 ' O ' ' OG1' ' A' ' 82' ' ' THR . 35.0 m -70.18 -35.48 63.54 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.29 0 C-N-CA 118.735 -1.186 . . . . 0.0 111.761 -178.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.71 -47.57 66.03 Favored 'General case' 0 C--O 1.247 0.969 0 C-N-CA 119.073 -1.051 . . . . 0.0 111.692 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.25 -40.35 97.18 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 179.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.8 mp -65.85 -33.88 76.87 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 119.277 -0.969 . . . . 0.0 109.818 176.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.5 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 40.2 m -62.88 -50.63 70.13 Favored 'General case' 0 C--O 1.245 0.827 0 C-N-CA 119.744 -0.782 . . . . 0.0 111.193 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.2 p -64.33 -38.4 82.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 C-N-CA 119.523 -0.871 . . . . 0.0 110.759 178.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.48 -31.46 72.55 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-O 121.193 0.521 . . . . 0.0 109.841 178.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 36.7 t -68.67 -55.11 12.51 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.912 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.403 HD21 HG21 ' B' ' 12' ' ' ILE . 20.2 t-20 -56.56 -41.89 77.66 Favored 'General case' 0 C--O 1.239 0.502 0 C-N-CA 118.607 -1.237 . . . . 0.0 109.016 179.318 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -60.05 -37.9 81.21 Favored 'General case' 0 C--O 1.219 -0.523 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 178.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.523 ' O ' ' O ' ' A' ' 91' ' ' GLU . 67.4 t80 -62.36 -45.53 92.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.933 -179.733 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -66.43 -54.83 19.68 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 120.274 -0.571 . . . . 0.0 112.228 -179.186 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.594 ' CE3' ' OH ' ' B' ' 26' ' ' TYR . 23.6 t-105 -64.6 -40.86 96.26 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.279 0.562 . . . . 0.0 112.49 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.57 ' OE1' ' N ' ' A' ' 92' ' ' ASN . 1.4 tm-20 -98.62 144.26 28.11 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.568 -177.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.57 ' N ' ' OE1' ' A' ' 91' ' ' GLU . 86.3 m-20 -55.28 -34.32 64.0 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.917 -0.313 . . . . 0.0 111.025 -179.649 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 95.5 p . . . . . 0 C--O 1.221 -0.417 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.488 179.979 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . 0.541 ' O ' ' OE1' ' A' ' 40' ' ' GLU . . . . . . . . 0 CA--C 1.526 0.768 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 81.8 p -66.81 -11.77 56.46 Favored 'General case' 0 C--N 1.319 -0.745 0 O-C-N 122.509 -0.406 . . . . 0.0 110.521 179.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -59.67 -38.73 82.31 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 -177.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 5.7 tt -63.95 -42.45 97.31 Favored 'General case' 0 C--O 1.243 0.749 0 C-N-CA 118.493 -1.283 . . . . 0.0 108.533 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.455 ' OE1' ' C ' ' B' ' 5' ' ' GLU . 6.6 tm-20 -64.41 -40.36 95.62 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 114.596 -1.184 . . . . 0.0 109.602 179.584 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 44.9 m -60.15 -40.17 88.9 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.494 178.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.14 -44.43 92.16 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.123 179.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 97.7 mtp -58.63 -41.18 85.38 Favored 'General case' 0 C--O 1.25 1.092 0 CA-C-O 121.844 0.83 . . . . 0.0 109.18 178.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -65.12 -36.17 83.44 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.285 178.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 43.7 m -63.01 -43.67 98.13 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 119.944 -0.702 . . . . 0.0 110.23 179.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 46.4 mt -62.49 -42.8 99.74 Favored 'General case' 0 C--O 1.238 0.493 0 C-N-CA 119.491 -0.883 . . . . 0.0 109.031 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.404 HG21 HD12 ' B' ' 12' ' ' ILE . 96.7 mt -62.06 -46.55 96.22 Favored 'Isoleucine or valine' 0 C--O 1.231 0.127 0 C-N-CA 119.852 -0.739 . . . . 0.0 111.613 178.819 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -61.94 -41.48 98.01 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -178.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 17.1 m -73.74 -40.84 54.4 Favored 'Isoleucine or valine' 0 C--O 1.253 1.257 0 C-N-CA 119.037 -1.065 . . . . 0.0 111.391 -179.327 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -60.18 -47.37 86.25 Favored 'General case' 0 CA--C 1.508 -0.663 0 C-N-CA 119.445 -0.902 . . . . 0.0 109.553 177.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -64.69 -34.95 79.51 Favored 'General case' 0 CA--C 1.502 -0.868 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.331 178.128 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.543 ' O ' ' CB ' ' B' ' 21' ' ' LYS . . . -58.03 -52.32 66.01 Favored 'General case' 0 N--CA 1.436 -1.151 0 C-N-CA 118.697 -1.201 . . . . 0.0 110.138 -178.682 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.436 ' CD2' ' HG ' ' B' ' 36' ' ' LEU . 16.7 m-70 -78.8 -49.14 13.48 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 118.791 -1.163 . . . . 0.0 113.78 -179.684 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 46.9 t -58.25 -43.14 87.72 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 119.55 -0.86 . . . . 0.0 110.725 -179.125 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -75.38 -44.1 22.99 Favored Glycine 0 CA--C 1.527 0.824 0 C-N-CA 120.742 -0.742 . . . . 0.0 111.784 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.543 ' CB ' ' O ' ' B' ' 17' ' ' ALA . 7.2 ttpm? -59.3 -41.43 88.99 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 -178.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.61 ' OE2' ' NZ ' ' B' ' 31' ' ' LYS . 85.1 tt0 -124.31 141.67 51.89 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 113.172 0.804 . . . . 0.0 113.172 -177.798 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.4 -142.84 48.51 Favored Glycine 0 N--CA 1.464 0.509 0 CA-C-N 114.881 -1.054 . . . . 0.0 112.53 178.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -70.27 145.86 51.01 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 115.119 -0.54 . . . . 0.0 109.868 179.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 27.6 mtmm -86.45 149.27 25.1 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 -179.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.594 ' OH ' ' CE3' ' A' ' 90' ' ' TRP . 88.9 m-85 61.13 13.41 4.7 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.222 0.452 . . . . 0.0 112.222 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 30.0 tptt -138.21 131.61 30.56 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 106.345 -1.724 . . . . 0.0 106.345 175.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 14.4 tp -108.99 131.26 55.23 Favored 'General case' 0 C--O 1.213 -0.851 0 C-N-CA 120.327 -0.549 . . . . 0.0 110.439 -176.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 71.2 m -102.65 161.47 13.71 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 5.4 ttpm? -53.03 -46.98 68.68 Favored 'General case' 0 C--O 1.245 0.824 0 CA-C-O 121.579 0.704 . . . . 0.0 111.765 -177.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.61 ' NZ ' ' OE2' ' B' ' 22' ' ' GLU . 15.6 pttp -59.52 -47.15 86.64 Favored 'General case' 0 N--CA 1.438 -1.057 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.898 -178.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.543 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 95.5 mt-10 -63.51 -47.96 79.54 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.641 -0.708 . . . . 0.0 112.333 -178.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 pp -61.9 -34.16 75.54 Favored 'General case' 0 CA--C 1.498 -1.033 0 C-N-CA 118.523 -1.271 . . . . 0.0 109.931 -179.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.667 ' NZ ' HE22 ' B' ' 38' ' ' GLN . 1.2 tptm -54.44 -37.14 64.81 Favored 'General case' 0 N--CA 1.437 -1.119 0 C-N-CA 117.65 -1.62 . . . . 0.0 107.938 177.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -75.08 -41.75 58.17 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 179.135 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.436 ' HG ' ' CD2' ' B' ' 18' ' ' HIS . 1.7 tt -64.26 -45.59 87.42 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 120.018 -0.673 . . . . 0.0 111.212 -177.356 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.572 ' O ' ' O ' ' B' ' 41' ' ' LEU . 1.1 mm? -64.68 -43.47 93.44 Favored 'General case' 0 N--CA 1.462 0.166 0 C-N-CA 118.978 -1.089 . . . . 0.0 111.297 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.667 HE22 ' NZ ' ' B' ' 34' ' ' LYS . 95.5 mt-30 -63.1 -39.05 93.56 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.144 -0.623 . . . . 0.0 111.491 179.741 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 74.5 p -72.57 -33.12 66.54 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.365 -0.534 . . . . 0.0 111.916 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.55 ' OE1' ' O ' ' A' ' 1' ' ' GLY . 76.3 mm-40 -100.17 -58.94 1.8 Allowed 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 -179.251 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.572 ' O ' ' O ' ' B' ' 37' ' ' LEU . 56.6 mt -100.89 141.42 33.8 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 121.337 0.589 . . . . 0.0 111.774 -178.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.2 m -112.25 -63.12 1.47 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.514 179.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.56 -38.88 92.34 Favored Glycine 0 CA--C 1.53 1.005 0 CA-C-N 115.754 -0.657 . . . . 0.0 114.191 -178.021 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.484 ' CZ ' ' SD ' ' B' ' 201' ' ' HCS . 89.1 m-85 -61.09 -52.05 66.54 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 118.099 0.95 . . . . 0.0 112.269 -178.116 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -74.13 -40.74 62.44 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 120.182 -0.607 . . . . 0.0 110.995 178.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -61.21 -33.82 74.09 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.622 -0.717 . . . . 0.0 112.01 -179.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.6 -34.44 71.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.967 -177.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.575 ' C ' ' H ' ' B' ' 50' ' ' ASP . 94.4 mm-40 -61.42 -34.43 75.37 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.191 -0.604 . . . . 0.0 109.782 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 85.4 tttt 65.28 -28.8 0.11 Allowed 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.87 179.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . 0.575 ' H ' ' C ' ' B' ' 48' ' ' GLN . 87.8 m-20 -70.56 142.82 51.74 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.422 -0.511 . . . . 0.0 111.26 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 4.7 m -72.55 -29.66 31.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.456 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -87.69 6.54 34.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.414 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.62 -39.94 78.05 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.72 -178.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.524 ' CG1' ' N ' ' B' ' 55' ' ' ASP . 8.1 p -60.47 -43.03 93.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 C-N-CA 119.867 -0.733 . . . . 0.0 110.071 179.001 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.524 ' N ' ' CG1' ' B' ' 54' ' ' VAL . 85.7 m-20 -61.08 -43.33 99.05 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.551 -0.749 . . . . 0.0 109.765 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -62.51 -39.83 94.79 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.964 179.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 72.7 t -67.13 -47.84 80.57 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.27 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -178.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' MET . . . . . 0.485 ' C ' ' SD ' ' B' ' 58' ' ' MET . 1.0 OUTLIER -70.95 -36.39 72.56 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 114.364 1.246 . . . . 0.0 114.364 -178.229 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 29.2 mmtm -60.59 -40.27 91.15 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 119.372 -0.931 . . . . 0.0 111.778 -179.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -64.32 -41.35 96.87 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.041 -0.663 . . . . 0.0 110.499 179.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.484 ' O ' ' OE1' ' B' ' 73' ' ' GLU . 84.4 mt -68.73 -33.46 73.96 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.095 -0.957 . . . . 0.0 112.927 -179.701 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 51.0 t0 -72.74 84.65 1.19 Allowed 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 118.783 -1.167 . . . . 0.0 110.86 -177.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -63.08 -47.02 84.66 Favored 'General case' 0 CA--C 1.505 -0.759 0 CA-C-O 122.491 1.139 . . . . 0.0 111.127 177.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 32.0 m120 -58.93 -35.5 73.21 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-N 112.813 -1.994 . . . . 0.0 111.354 -179.173 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 79.57 20.04 69.76 Favored Glycine 0 CA--C 1.519 0.34 0 N-CA-C 108.404 -1.878 . . . . 0.0 108.404 -177.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.522 ' O ' ' OE1' ' B' ' 68' ' ' GLU . 22.2 p-10 -86.52 1.76 50.42 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -178.399 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 85.15 -1.31 88.78 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.807 -0.917 . . . . 0.0 110.807 178.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.522 ' OE1' ' O ' ' B' ' 66' ' ' ASP . 53.4 mp0 -121.48 156.21 33.27 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-O 121.953 0.882 . . . . 0.0 111.726 179.465 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 35.7 t -107.06 131.98 55.64 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.753 0 N-CA-C 106.412 -1.699 . . . . 0.0 106.412 176.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.547 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 50.0 t0 -99.05 160.08 14.51 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.077 0.465 . . . . 0.0 111.668 -177.788 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.547 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 1.0 OUTLIER -50.32 -43.93 54.05 Favored 'General case' 0 C--O 1.217 -0.651 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.233 -178.775 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -61.57 -40.5 94.95 Favored 'General case' 0 C--O 1.246 0.907 0 C-N-CA 119.617 -0.833 . . . . 0.0 110.599 178.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.484 ' OE1' ' O ' ' B' ' 61' ' ' LEU . 85.2 mt-10 -64.67 -42.2 95.54 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-O 122.176 0.989 . . . . 0.0 109.9 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -63.69 -40.6 97.21 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 114.72 -1.127 . . . . 0.0 110.081 178.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -60.86 -47.82 91.64 Favored 'Isoleucine or valine' 0 C--O 1.246 0.915 0 CA-C-N 113.792 -1.549 . . . . 0.0 109.813 -179.036 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 14.9 m -67.59 -34.1 66.13 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.529 0 C-N-CA 117.805 -1.558 . . . . 0.0 109.218 178.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 53.0 tp -56.89 -52.19 66.14 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 119.064 -1.054 . . . . 0.0 112.341 178.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.498 ' O ' ' OG1' ' B' ' 82' ' ' THR . 35.0 m -70.35 -35.34 62.06 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.262 0 C-N-CA 118.735 -1.186 . . . . 0.0 111.686 -178.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.9 -47.45 65.8 Favored 'General case' 0 C--O 1.247 0.933 0 C-N-CA 119.005 -1.078 . . . . 0.0 111.641 -179.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.38 -40.24 96.69 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 5.7 mp -65.76 -33.98 77.11 Favored 'General case' 0 C--O 1.22 -0.458 0 C-N-CA 119.265 -0.974 . . . . 0.0 109.876 176.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.498 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 39.5 m -62.79 -50.66 70.15 Favored 'General case' 0 C--O 1.244 0.785 0 C-N-CA 119.763 -0.775 . . . . 0.0 111.145 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 13.3 p -64.35 -38.5 82.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.575 0 C-N-CA 119.526 -0.87 . . . . 0.0 110.714 178.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.27 -31.48 72.65 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 121.229 0.537 . . . . 0.0 109.96 178.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 36.8 t -68.73 -55.19 12.15 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.887 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -56.5 -41.88 77.43 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 118.646 -1.221 . . . . 0.0 109.08 179.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -60.03 -37.98 81.35 Favored 'General case' 0 C--O 1.219 -0.521 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 178.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.525 ' O ' ' O ' ' B' ' 91' ' ' GLU . 67.4 t80 -62.31 -45.65 92.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.869 -179.699 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -66.34 -54.92 18.94 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 120.298 -0.561 . . . . 0.0 112.167 -179.125 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.605 ' CE3' ' OH ' ' A' ' 26' ' ' TYR . 23.5 t-105 -64.53 -40.99 96.63 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.318 0.58 . . . . 0.0 112.501 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.589 ' OE1' ' N ' ' B' ' 92' ' ' ASN . 1.4 tm-20 -98.51 144.27 28.03 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.553 -177.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . 0.589 ' N ' ' OE1' ' B' ' 91' ' ' GLU . 86.4 m-20 -55.27 -34.44 64.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.703 0.287 . . . . 0.0 110.962 -179.673 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 95.6 p . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.08 -0.962 . . . . 0.0 110.439 179.977 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' HCS . . . . . 0.484 ' SD ' ' CZ ' ' A' ' 44' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 201' ' ' HCS . . . . . 0.484 ' SD ' ' CZ ' ' B' ' 44' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.566 ' O ' ' OE1' ' B' ' 40' ' ' GLU . . . . . . . . 0 CA--C 1.524 0.621 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.0 p -67.88 -18.62 64.86 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.699 -0.25 . . . . 0.0 111.457 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -59.82 -40.88 89.94 Favored 'General case' 0 C--O 1.237 0.438 0 N-CA-C 113.484 0.92 . . . . 0.0 113.484 -176.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.1 tt -63.42 -42.52 98.73 Favored 'General case' 0 C--O 1.24 0.569 0 C-N-CA 117.976 -1.49 . . . . 0.0 108.032 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.404 ' OE2' ' CD2' ' B' ' 41' ' ' LEU . 72.1 mm-40 -66.16 -36.85 84.19 Favored 'General case' 0 C--O 1.219 -0.513 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.92 177.499 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 44.4 m -59.0 -42.04 89.13 Favored 'General case' 0 C--O 1.24 0.557 0 C-N-CA 119.432 -0.907 . . . . 0.0 108.877 179.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.29 -46.08 85.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.312 179.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 99.4 mtp -59.68 -40.95 89.53 Favored 'General case' 0 C--O 1.245 0.868 0 CA-C-O 121.401 0.62 . . . . 0.0 110.322 179.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.83 -36.6 84.85 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.711 177.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 58.7 m -63.78 -42.23 97.79 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 119.448 -0.901 . . . . 0.0 110.026 178.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 38.2 mt -59.34 -43.14 92.8 Favored 'General case' 0 C--O 1.239 0.53 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 179.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 98.0 mt -61.79 -45.59 98.36 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.112 0 CA-C-N 114.873 -1.058 . . . . 0.0 111.84 178.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -61.33 -41.41 96.98 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -178.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.4 m -72.79 -38.98 58.87 Favored 'Isoleucine or valine' 0 C--O 1.255 1.378 0 C-N-CA 118.831 -1.148 . . . . 0.0 110.413 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.548 ' O ' ' HD2' ' A' ' 18' ' ' HIS . 88.8 t80 -60.76 -42.44 97.46 Favored 'General case' 0 C--N 1.348 0.539 0 C-N-CA 119.184 -1.007 . . . . 0.0 109.873 177.063 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -67.62 -33.89 75.89 Favored 'General case' 0 C--N 1.309 -1.179 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.185 178.024 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.511 ' O ' ' HB2' ' A' ' 21' ' ' LYS . . . -59.88 -50.77 72.46 Favored 'General case' 0 N--CA 1.437 -1.109 0 C-N-CA 118.834 -1.146 . . . . 0.0 111.056 -178.677 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.584 ' CD2' ' H ' ' A' ' 19' ' ' SER . 0.5 OUTLIER -80.74 -49.21 11.45 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 117.177 -1.809 . . . . 0.0 113.7 179.909 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.584 ' H ' ' CD2' ' A' ' 18' ' ' HIS . 22.9 t -60.58 -41.17 94.11 Favored 'General case' 0 C--N 1.352 0.702 0 C-N-CA 118.454 -1.298 . . . . 0.0 109.473 -179.707 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -70.0 -43.92 63.28 Favored Glycine 0 C--N 1.343 0.948 0 CA-C-N 115.518 -0.764 . . . . 0.0 112.15 178.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.511 ' HB2' ' O ' ' A' ' 17' ' ' ALA . 5.8 ttpm? -59.04 -42.25 89.81 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 119.978 -0.689 . . . . 0.0 111.619 -179.581 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.432 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 97.1 mt-10 -129.46 151.77 49.73 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 112.824 0.676 . . . . 0.0 112.824 179.37 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.08 -148.98 31.7 Favored Glycine 0 CA--C 1.523 0.565 0 CA-C-N 115.707 -0.679 . . . . 0.0 112.305 177.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -70.9 139.91 50.88 Favored 'General case' 0 C--O 1.234 0.252 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 179.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.487 ' O ' ' OG ' ' A' ' 19' ' ' SER . 36.4 mtmt -60.96 -31.75 71.3 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.141 -178.447 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.612 ' OH ' ' CD2' ' B' ' 90' ' ' TRP . 98.2 m-85 -106.5 19.57 20.3 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 -177.46 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.466 ' N ' ' HG ' ' A' ' 19' ' ' SER . 11.8 tptt -138.47 138.12 37.8 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 119.105 -1.038 . . . . 0.0 108.814 178.65 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.521 HD13 ' ND1' ' A' ' 18' ' ' HIS . 18.4 tp -112.37 131.66 55.42 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.345 -0.542 . . . . 0.0 111.522 -177.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.4 t -103.21 159.98 15.06 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.744 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.1 ttpt -52.1 -44.12 64.27 Favored 'General case' 0 C--O 1.239 0.542 0 C-N-CA 120.227 -0.589 . . . . 0.0 111.122 -178.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.584 ' CG ' ' N ' ' A' ' 32' ' ' GLU . 56.4 pttt -58.89 -46.79 87.0 Favored 'General case' 0 N--CA 1.438 -1.04 0 C-N-CA 119.901 -0.72 . . . . 0.0 109.471 -178.749 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.584 ' N ' ' CG ' ' A' ' 31' ' ' LYS . 92.4 mt-10 -62.68 -50.17 72.21 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 119.826 -0.75 . . . . 0.0 112.0 -177.749 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.13 -37.08 76.37 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 116.806 -1.958 . . . . 0.0 109.11 178.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.71 ' NZ ' HE22 ' A' ' 38' ' ' GLN . 0.8 OUTLIER -53.56 -36.59 62.03 Favored 'General case' 0 N--CA 1.44 -0.948 0 C-N-CA 118.192 -1.403 . . . . 0.0 108.039 -179.531 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.457 ' O ' ' CG2' ' A' ' 39' ' ' THR . 97.0 mt-10 -74.1 -43.61 56.98 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 178.612 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.505 HD12 ' CE1' ' A' ' 18' ' ' HIS . 5.4 tt -67.91 -48.0 67.2 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 118.728 -1.189 . . . . 0.0 112.425 -177.116 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.54 ' O ' ' O ' ' A' ' 41' ' ' LEU . 1.5 mm? -59.36 -42.32 91.31 Favored 'General case' 0 CA--C 1.518 -0.283 0 C-N-CA 118.264 -1.375 . . . . 0.0 109.998 -178.776 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.71 HE22 ' NZ ' ' A' ' 34' ' ' LYS . 95.1 mt-30 -64.62 -39.94 94.61 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.421 -0.512 . . . . 0.0 111.768 179.007 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.457 ' CG2' ' O ' ' A' ' 35' ' ' GLU . 59.3 p -71.04 -41.15 71.17 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -179.049 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.557 ' OE1' ' O ' ' B' ' 1' ' ' GLY . 81.2 mm-40 -91.44 -49.63 6.23 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 120.494 -0.482 . . . . 0.0 112.249 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.54 ' O ' ' O ' ' A' ' 37' ' ' LEU . 28.7 mt -103.71 141.69 35.63 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 121.184 0.516 . . . . 0.0 111.997 -178.325 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.1 m -113.66 -65.45 1.18 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.029 178.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.78 -38.29 91.8 Favored Glycine 0 CA--C 1.532 1.138 0 CA-C-N 115.537 -0.756 . . . . 0.0 114.136 -178.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -60.44 -53.34 58.76 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 118.113 0.956 . . . . 0.0 112.379 -177.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -74.08 -38.88 63.78 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 120.429 -0.508 . . . . 0.0 111.094 178.072 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -59.6 -30.2 68.51 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.14 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.13 -31.43 61.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.122 -177.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -95.84 115.76 27.91 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 119.561 -0.856 . . . . 0.0 109.067 178.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -63.22 -39.13 93.74 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 114.004 1.112 . . . . 0.0 114.004 -178.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -69.69 142.53 53.34 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.041 0.756 . . . . 0.0 113.041 -177.027 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.8 m -72.23 -27.67 27.23 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.201 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 177.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -61.06 -23.55 65.54 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 114.06 -1.427 . . . . 0.0 109.146 178.072 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.91 -37.56 52.95 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.735 -177.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.466 ' CG1' ' N ' ' A' ' 55' ' ' ASP . 10.8 p -59.97 -43.26 92.01 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 C-N-CA 119.303 -0.959 . . . . 0.0 109.8 178.318 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.466 ' N ' ' CG1' ' A' ' 54' ' ' VAL . 91.3 m-20 -61.29 -42.37 98.54 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 120.134 -0.627 . . . . 0.0 109.344 179.123 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 41.6 mttp -60.76 -38.98 87.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.211 179.344 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 78.1 t -66.4 -46.1 87.63 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.455 0 CA-C-N 115.932 -0.576 . . . . 0.0 112.515 -179.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -72.42 -34.95 68.21 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 114.996 1.48 . . . . 0.0 114.996 -178.421 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.9 mmtm -59.95 -39.65 86.32 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 119.636 -0.826 . . . . 0.0 112.953 -178.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -70.09 -35.33 74.1 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 119.335 -0.946 . . . . 0.0 109.854 179.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 63' ' ' GLU . 91.3 mt -67.42 -35.45 79.29 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-N 115.754 -0.657 . . . . 0.0 112.113 179.478 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -71.32 73.85 0.71 Allowed 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 118.34 -1.344 . . . . 0.0 109.945 -179.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 61' ' ' LEU . 87.7 tt0 -63.54 -38.09 89.79 Favored 'General case' 0 CA--C 1.498 -1.053 0 CA-C-O 123.072 1.415 . . . . 0.0 107.35 176.539 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.485 ' OD1' ' OD2' ' A' ' 66' ' ' ASP . 16.7 t-20 -57.98 -39.64 78.69 Favored 'General case' 0 N--CA 1.429 -1.503 0 CA-C-N 111.607 -2.542 . . . . 0.0 111.331 178.713 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 79.76 19.06 71.5 Favored Glycine 0 CA--C 1.53 0.987 0 C-N-CA 121.345 -0.455 . . . . 0.0 112.749 178.103 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.51 ' O ' ' OE1' ' A' ' 68' ' ' GLU . 54.8 p30 -89.15 2.12 54.63 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -179.61 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 87.52 -3.65 86.28 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 110.146 -1.182 . . . . 0.0 110.146 179.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.51 ' OE1' ' O ' ' A' ' 66' ' ' ASP . 53.3 mp0 -120.54 159.95 24.17 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.959 -0.62 . . . . 0.0 110.635 179.459 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 61.9 t -105.58 130.9 56.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 106.477 -1.675 . . . . 0.0 106.477 176.346 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.497 ' C ' ' OD1' ' A' ' 70' ' ' ASP . 17.2 p30 -101.45 170.66 8.06 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 119.279 -0.968 . . . . 0.0 110.246 -178.016 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -53.63 -44.45 69.53 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.962 -178.647 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -61.58 -39.98 93.12 Favored 'General case' 0 C--O 1.246 0.89 0 C-N-CA 120.054 -0.658 . . . . 0.0 111.204 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 67.5 mt-10 -64.26 -42.84 96.28 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-O 122.06 0.933 . . . . 0.0 110.097 179.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -63.93 -40.64 96.92 Favored 'General case' 0 C--O 1.24 0.587 0 CA-C-O 122.34 1.067 . . . . 0.0 110.356 178.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -59.65 -48.09 88.72 Favored 'Isoleucine or valine' 0 C--O 1.249 1.043 0 CA-C-N 113.82 -1.536 . . . . 0.0 109.537 -179.081 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 15.4 m -68.04 -33.96 64.08 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 C-N-CA 117.967 -1.493 . . . . 0.0 109.38 178.408 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 45.0 tp -55.47 -52.91 62.07 Favored 'General case' 0 C--O 1.238 0.483 0 C-N-CA 118.902 -1.119 . . . . 0.0 112.021 178.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.429 ' O ' ' OG1' ' A' ' 82' ' ' THR . 34.6 m -69.83 -35.46 65.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 118.661 -1.216 . . . . 0.0 111.683 -178.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.75 -47.49 69.1 Favored 'General case' 0 C--O 1.248 1.003 0 C-N-CA 118.89 -1.124 . . . . 0.0 111.68 -179.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.414 ' O ' HG13 ' A' ' 83' ' ' VAL . . . -63.91 -39.57 94.49 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 179.367 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.3 mp -64.85 -34.0 77.34 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 119.062 -1.055 . . . . 0.0 109.521 176.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.429 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 41.3 m -63.46 -49.82 72.16 Favored 'General case' 0 C--O 1.244 0.792 0 C-N-CA 120.01 -0.676 . . . . 0.0 111.503 179.277 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.414 HG13 ' O ' ' A' ' 80' ' ' ALA . 14.5 p -63.31 -39.3 84.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 118.89 -1.124 . . . . 0.0 110.338 178.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.14 -31.4 72.58 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-O 121.117 0.485 . . . . 0.0 109.903 178.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 44.7 t -66.18 -54.57 23.69 Favored 'General case' 0 CA--C 1.51 -0.574 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.438 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -56.41 -41.02 75.65 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 118.729 -1.188 . . . . 0.0 108.782 179.106 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.664 ' O ' ' HB2' ' A' ' 91' ' ' GLU . 87.1 m-20 -59.05 -41.35 87.66 Favored 'General case' 0 C--O 1.202 -1.403 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.563 178.315 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.558 ' O ' ' O ' ' A' ' 91' ' ' GLU . 67.7 t80 -64.13 -41.08 97.36 Favored 'General case' 0 C--N 1.303 -1.429 0 C-N-CA 118.318 -1.353 . . . . 0.0 110.872 178.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -64.44 -60.55 3.02 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 120.005 -0.678 . . . . 0.0 112.294 -178.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.605 ' CD2' ' OH ' ' B' ' 26' ' ' TYR . 19.1 t-105 -68.63 -44.1 74.92 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 119.774 -0.77 . . . . 0.0 111.386 179.051 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.664 ' HB2' ' O ' ' A' ' 87' ' ' ASN . 59.1 mm-40 -98.43 144.29 27.95 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.697 -1.138 . . . . 0.0 111.506 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -56.87 -34.18 67.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.416 179.213 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 12.4 m . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 117.984 -1.007 . . . . 0.0 110.544 -179.998 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . 0.557 ' O ' ' OE1' ' A' ' 40' ' ' GLU . . . . . . . . 0 CA--C 1.525 0.684 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 84.1 p -67.89 -18.6 64.84 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.639 -0.28 . . . . 0.0 111.404 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -59.9 -40.79 89.96 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -176.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.1 tt -63.48 -42.54 98.57 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 117.895 -1.522 . . . . 0.0 107.953 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -66.18 -36.88 84.26 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.838 177.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 46.2 m -58.95 -41.9 88.55 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 119.465 -0.894 . . . . 0.0 108.891 179.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.41 -46.06 84.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.304 179.145 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 99.4 mtp -59.81 -40.92 90.04 Favored 'General case' 0 C--O 1.246 0.903 0 CA-C-O 121.336 0.588 . . . . 0.0 110.263 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.66 -37.48 87.72 Favored 'General case' 0 CA--C 1.511 -0.557 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.619 177.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 57.5 m -62.91 -42.44 99.79 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 119.445 -0.902 . . . . 0.0 110.19 178.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 43.7 mt -59.36 -43.13 92.85 Favored 'General case' 0 C--O 1.24 0.554 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 179.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.428 HG22 HD12 ' B' ' 12' ' ' ILE . 97.9 mt -61.76 -45.54 98.47 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 CA-C-N 114.856 -1.065 . . . . 0.0 111.817 178.76 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -61.36 -41.38 96.98 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -178.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 15.5 m -72.78 -39.01 59.09 Favored 'Isoleucine or valine' 0 C--O 1.256 1.401 0 C-N-CA 118.774 -1.17 . . . . 0.0 110.344 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.557 ' O ' ' HD2' ' B' ' 18' ' ' HIS . 88.9 t80 -60.74 -42.55 97.57 Favored 'General case' 0 C--N 1.347 0.484 0 CA-C-O 122.199 0.999 . . . . 0.0 109.895 177.136 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -67.47 -33.92 76.1 Favored 'General case' 0 N--CA 1.436 -1.161 0 CA-C-N 115.351 -0.841 . . . . 0.0 109.225 177.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.509 ' O ' ' HB2' ' B' ' 21' ' ' LYS . . . -59.95 -50.7 72.74 Favored 'General case' 0 N--CA 1.436 -1.145 0 C-N-CA 118.831 -1.147 . . . . 0.0 111.041 -178.631 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.591 ' CD2' ' H ' ' B' ' 19' ' ' SER . 0.5 OUTLIER -80.82 -49.18 11.41 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 117.15 -1.82 . . . . 0.0 113.62 179.919 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.591 ' H ' ' CD2' ' B' ' 18' ' ' HIS . 22.8 t -60.66 -41.1 94.34 Favored 'General case' 0 C--N 1.351 0.672 0 C-N-CA 118.472 -1.291 . . . . 0.0 109.482 -179.662 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.96 -44.03 63.13 Favored Glycine 0 C--N 1.342 0.889 0 CA-C-N 115.53 -0.759 . . . . 0.0 112.08 178.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.509 ' HB2' ' O ' ' B' ' 17' ' ' ALA . 5.8 ttpm? -58.99 -42.31 89.69 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.012 -0.675 . . . . 0.0 111.576 -179.542 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.443 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 97.1 mt-10 -129.52 151.82 49.73 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 179.355 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.02 -148.86 31.67 Favored Glycine 0 CA--C 1.523 0.537 0 CA-C-N 115.704 -0.68 . . . . 0.0 112.326 177.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -70.95 139.83 50.74 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.479 ' O ' ' OG ' ' B' ' 19' ' ' SER . 36.3 mtmt -60.97 -31.7 71.27 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.171 -178.448 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.605 ' OH ' ' CD2' ' A' ' 90' ' ' TRP . 98.2 m-85 -106.42 19.57 20.3 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 -177.536 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.471 ' N ' ' HG ' ' B' ' 19' ' ' SER . 12.9 tptt -138.48 138.26 37.92 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 119.089 -1.044 . . . . 0.0 108.799 178.613 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.502 HD13 ' ND1' ' B' ' 18' ' ' HIS . 18.3 tp -112.45 131.59 55.49 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.345 -0.542 . . . . 0.0 111.543 -178.021 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 48.4 t -103.24 160.08 14.98 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.655 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 21.1 ttpt -52.12 -44.23 64.36 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 120.168 -0.613 . . . . 0.0 111.123 -178.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.586 ' CG ' ' N ' ' B' ' 32' ' ' GLU . 56.4 pttt -58.89 -46.74 87.13 Favored 'General case' 0 N--CA 1.438 -1.052 0 C-N-CA 119.733 -0.787 . . . . 0.0 109.522 -178.739 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.586 ' N ' ' CG ' ' B' ' 31' ' ' LYS . 92.3 mt-10 -62.52 -50.27 72.05 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 119.776 -0.769 . . . . 0.0 112.0 -177.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.04 -37.14 76.28 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 116.824 -1.951 . . . . 0.0 109.121 178.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.691 ' NZ ' HE22 ' B' ' 38' ' ' GLN . 0.8 OUTLIER -53.63 -36.42 62.02 Favored 'General case' 0 N--CA 1.439 -1.016 0 C-N-CA 118.223 -1.391 . . . . 0.0 108.036 -179.406 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.458 ' O ' ' CG2' ' B' ' 39' ' ' THR . 97.1 mt-10 -74.32 -43.46 56.62 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 178.688 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.506 HD12 ' CE1' ' B' ' 18' ' ' HIS . 5.4 tt -67.94 -47.96 67.21 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 118.842 -1.143 . . . . 0.0 112.422 -177.09 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.538 ' O ' ' O ' ' B' ' 41' ' ' LEU . 1.5 mm? -59.43 -42.22 91.38 Favored 'General case' 0 CA--C 1.517 -0.309 0 C-N-CA 118.258 -1.377 . . . . 0.0 110.03 -178.803 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.691 HE22 ' NZ ' ' B' ' 34' ' ' LYS . 95.1 mt-30 -64.72 -39.85 94.34 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.403 -0.519 . . . . 0.0 111.767 178.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.458 ' CG2' ' O ' ' B' ' 35' ' ' GLU . 61.0 p -71.17 -41.18 70.72 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 112.821 0.675 . . . . 0.0 112.821 -178.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.566 ' OE1' ' O ' ' A' ' 1' ' ' GLY . 81.2 mm-40 -91.32 -49.59 6.27 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.538 ' O ' ' O ' ' B' ' 37' ' ' LEU . 28.6 mt -103.82 141.55 35.92 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 121.179 0.514 . . . . 0.0 111.984 -178.223 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.1 m -113.55 -65.37 1.19 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.119 178.339 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.78 -38.34 91.9 Favored Glycine 0 CA--C 1.532 1.097 0 CA-C-N 115.545 -0.752 . . . . 0.0 114.051 -178.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -60.51 -53.33 58.86 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 118.148 0.974 . . . . 0.0 112.316 -177.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -74.15 -38.76 63.65 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.133 178.042 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 58.6 t0 -59.66 -30.22 68.6 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.118 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.14 -31.36 61.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.137 -177.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -95.94 115.68 27.8 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 119.528 -0.869 . . . . 0.0 109.073 178.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -63.1 -39.24 94.11 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 -178.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -69.63 142.54 53.45 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 113.04 0.756 . . . . 0.0 113.04 -177.018 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 4.8 m -72.21 -27.65 27.24 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.228 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 177.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -61.04 -23.61 65.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 114.056 -1.429 . . . . 0.0 109.074 178.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.85 -37.67 52.91 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.721 -177.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.46 ' CG1' ' N ' ' B' ' 55' ' ' ASP . 10.7 p -59.92 -43.28 91.87 Favored 'Isoleucine or valine' 0 C--O 1.239 0.508 0 C-N-CA 119.308 -0.957 . . . . 0.0 109.742 178.331 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.46 ' N ' ' CG1' ' B' ' 54' ' ' VAL . 91.6 m-20 -61.35 -42.34 98.53 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 120.147 -0.621 . . . . 0.0 109.397 179.208 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 41.7 mttp -60.79 -39.01 87.25 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.211 179.31 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 78.8 t -66.26 -46.08 88.2 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.461 0 CA-C-N 115.903 -0.59 . . . . 0.0 112.542 -179.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -72.52 -34.97 67.96 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 115.014 1.487 . . . . 0.0 115.014 -178.379 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 28.9 mmtm -59.96 -39.64 86.29 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 119.701 -0.8 . . . . 0.0 112.844 -178.469 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -70.16 -35.22 73.85 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 119.264 -0.974 . . . . 0.0 109.825 179.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' B' ' 63' ' ' GLU . 91.0 mt -67.46 -35.45 79.21 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-N 115.837 -0.62 . . . . 0.0 112.139 179.458 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -71.36 73.96 0.72 Allowed 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 118.344 -1.342 . . . . 0.0 109.841 -179.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' B' ' 61' ' ' LEU . 87.5 tt0 -63.63 -38.18 90.16 Favored 'General case' 0 CA--C 1.497 -1.083 0 CA-C-O 123.123 1.439 . . . . 0.0 107.309 176.566 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.483 ' OD1' ' CG ' ' B' ' 66' ' ' ASP . 16.8 t-20 -57.84 -39.67 78.25 Favored 'General case' 0 N--CA 1.429 -1.489 0 CA-C-N 111.573 -2.558 . . . . 0.0 111.364 178.664 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 79.61 19.27 71.42 Favored Glycine 0 CA--C 1.53 0.998 0 CA-C-N 116.307 -0.406 . . . . 0.0 112.709 178.122 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.504 ' O ' ' OE1' ' B' ' 68' ' ' GLU . 54.9 p30 -89.21 2.23 54.54 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 87.53 -3.69 86.26 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.056 -1.218 . . . . 0.0 110.056 179.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.504 ' OE1' ' O ' ' B' ' 66' ' ' ASP . 53.3 mp0 -120.52 159.89 24.28 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.037 -0.582 . . . . 0.0 110.691 179.445 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 61.6 t -105.49 130.92 56.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 106.576 -1.639 . . . . 0.0 106.576 176.339 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.509 ' C ' ' OD1' ' B' ' 70' ' ' ASP . 17.4 p30 -101.47 170.52 8.15 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 119.322 -0.951 . . . . 0.0 110.442 -178.132 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -53.53 -44.52 69.24 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.901 -178.613 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -61.54 -39.96 92.96 Favored 'General case' 0 C--O 1.243 0.738 0 C-N-CA 119.965 -0.694 . . . . 0.0 111.306 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 67.6 mt-10 -64.33 -42.89 96.05 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 122.026 0.917 . . . . 0.0 109.991 179.469 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -63.92 -40.59 96.84 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-O 122.383 1.087 . . . . 0.0 110.407 178.122 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -59.65 -48.02 88.97 Favored 'Isoleucine or valine' 0 C--O 1.249 1.04 0 CA-C-N 113.764 -1.562 . . . . 0.0 109.625 -179.168 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 15.6 m -68.04 -34.02 64.45 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 C-N-CA 118.058 -1.457 . . . . 0.0 109.339 178.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 45.4 tp -55.42 -52.94 61.92 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 118.897 -1.121 . . . . 0.0 112.058 178.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.427 ' O ' ' OG1' ' B' ' 82' ' ' THR . 34.6 m -69.77 -35.48 65.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 C-N-CA 118.59 -1.244 . . . . 0.0 111.734 -178.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.72 -47.59 68.92 Favored 'General case' 0 C--O 1.247 0.965 0 C-N-CA 118.927 -1.109 . . . . 0.0 111.647 -179.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . 0.416 ' O ' HG13 ' B' ' 83' ' ' VAL . . . -63.75 -39.6 94.66 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.227 179.312 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 5.1 mp -64.8 -34.25 77.9 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 119.092 -1.043 . . . . 0.0 109.459 176.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.427 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 42.0 m -63.36 -49.78 72.51 Favored 'General case' 0 C--O 1.244 0.778 0 C-N-CA 119.982 -0.687 . . . . 0.0 111.435 179.502 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.416 HG13 ' O ' ' B' ' 80' ' ' ALA . 14.5 p -63.33 -39.25 84.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 118.845 -1.142 . . . . 0.0 110.386 178.774 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.17 -31.4 72.57 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-O 121.068 0.461 . . . . 0.0 109.876 178.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 44.0 t -66.18 -54.63 22.9 Favored 'General case' 0 CA--C 1.508 -0.637 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.457 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -56.39 -40.96 75.47 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 118.742 -1.183 . . . . 0.0 108.77 179.117 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . 0.662 ' O ' ' HB2' ' B' ' 91' ' ' GLU . 87.3 m-20 -59.14 -41.27 87.89 Favored 'General case' 0 C--O 1.203 -1.394 0 C-N-CA 120.244 -0.582 . . . . 0.0 109.589 178.377 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.541 ' O ' ' O ' ' B' ' 91' ' ' GLU . 67.9 t80 -64.28 -40.86 96.83 Favored 'General case' 0 C--N 1.304 -1.396 0 C-N-CA 118.315 -1.354 . . . . 0.0 110.934 178.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -64.62 -60.59 2.95 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 120.019 -0.672 . . . . 0.0 112.185 -178.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.612 ' CD2' ' OH ' ' A' ' 26' ' ' TYR . 19.3 t-105 -68.55 -44.14 75.16 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 119.847 -0.741 . . . . 0.0 111.362 179.096 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.662 ' HB2' ' O ' ' B' ' 87' ' ' ASN . 59.0 mm-40 -98.45 144.38 27.87 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.617 -1.174 . . . . 0.0 111.435 -179.627 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -56.88 -34.21 67.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.414 179.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 12.6 m . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 118.018 -0.991 . . . . 0.0 110.529 179.996 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 201' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.679 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.499 ' OG ' ' OE1' ' B' ' 40' ' ' GLU . 43.5 t -118.63 141.26 48.77 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.803 0.335 . . . . 0.0 111.017 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -63.29 -38.74 92.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 112.249 -179.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.3 tt -64.13 -42.85 96.65 Favored 'General case' 0 C--O 1.241 0.607 0 C-N-CA 119.695 -0.802 . . . . 0.0 109.263 -179.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.456 ' C ' ' OE1' ' A' ' 5' ' ' GLU . 7.5 tm-20 -64.35 -40.04 95.08 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.362 179.472 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 46.1 m -60.25 -40.21 89.51 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 178.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.45 -44.07 95.55 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.133 179.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 97.7 mtp -58.96 -41.29 87.16 Favored 'General case' 0 C--O 1.247 0.958 0 CA-C-O 121.728 0.775 . . . . 0.0 109.43 178.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -64.91 -35.42 81.1 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.115 178.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 48.5 m -64.11 -43.76 94.34 Favored 'General case' 0 N--CA 1.446 -0.633 0 C-N-CA 119.872 -0.731 . . . . 0.0 110.154 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 40.1 mt -62.41 -43.34 99.04 Favored 'General case' 0 C--O 1.242 0.675 0 C-N-CA 119.417 -0.913 . . . . 0.0 109.297 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.424 HD11 HG23 ' A' ' 12' ' ' ILE . 98.9 mt -61.94 -46.73 95.86 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 C-N-CA 119.834 -0.746 . . . . 0.0 111.3 179.05 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -61.45 -41.86 97.86 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 -178.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.6 m -73.95 -41.8 53.05 Favored 'Isoleucine or valine' 0 C--O 1.257 1.448 0 C-N-CA 119.082 -1.047 . . . . 0.0 111.956 -179.138 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -60.47 -47.62 85.33 Favored 'General case' 0 CA--C 1.508 -0.648 0 C-N-CA 119.022 -1.071 . . . . 0.0 109.549 178.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -64.17 -35.14 79.8 Favored 'General case' 0 CA--C 1.501 -0.91 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.155 178.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.552 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . -57.29 -52.59 64.73 Favored 'General case' 0 N--CA 1.437 -1.119 0 C-N-CA 118.737 -1.185 . . . . 0.0 110.085 -178.571 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.433 ' CD2' ' HG ' ' A' ' 36' ' ' LEU . 20.6 m-70 -78.89 -49.76 12.34 Favored 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 118.381 -1.327 . . . . 0.0 114.047 -179.509 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.538 ' HG ' ' N ' ' A' ' 26' ' ' TYR . 40.4 t -57.72 -42.1 83.11 Favored 'General case' 0 CA--C 1.516 -0.345 0 C-N-CA 119.424 -0.911 . . . . 0.0 110.754 -178.644 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -77.88 -43.27 14.7 Favored Glycine 0 CA--C 1.527 0.808 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.017 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.552 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 7.3 ttpm? -58.75 -42.25 88.45 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 113.415 0.894 . . . . 0.0 113.415 -179.193 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.528 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 85.3 tt0 -126.97 141.58 51.76 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 112.891 0.7 . . . . 0.0 112.891 -178.247 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.88 -150.77 52.16 Favored Glycine 0 C--N 1.335 0.475 0 CA-C-N 115.273 -0.876 . . . . 0.0 112.228 177.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -68.56 146.35 53.17 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.028 -0.586 . . . . 0.0 109.529 179.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.3 mtmm -85.48 151.81 23.67 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 -179.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.596 ' OH ' ' CE3' ' B' ' 90' ' ' TRP . 93.3 m-85 61.34 10.59 3.17 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.52 ' NZ ' ' OD2' ' A' ' 66' ' ' ASP . 23.6 tptt -138.14 132.03 31.34 Favored 'General case' 0 C--O 1.236 0.353 0 N-CA-C 105.386 -2.079 . . . . 0.0 105.386 175.071 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.3 tp -110.8 122.96 49.13 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.265 -176.123 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.458 ' HA ' ' OE1' ' A' ' 68' ' ' GLU . 81.9 p -86.57 165.86 15.87 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 120.901 -0.32 . . . . 0.0 111.188 -179.54 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.0 ttpm? -56.8 -48.16 78.57 Favored 'General case' 0 C--O 1.243 0.74 0 CA-C-O 121.384 0.612 . . . . 0.0 112.274 -178.311 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.565 ' CG ' ' N ' ' A' ' 32' ' ' GLU . 24.3 pttm -60.84 -47.12 87.8 Favored 'General case' 0 N--CA 1.441 -0.919 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.634 -178.525 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.565 ' N ' ' CG ' ' A' ' 31' ' ' LYS . 97.1 mt-10 -62.23 -47.78 82.9 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.481 -0.781 . . . . 0.0 112.244 -178.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.66 -34.94 76.59 Favored 'General case' 0 CA--C 1.502 -0.891 0 C-N-CA 117.999 -1.48 . . . . 0.0 109.311 179.518 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.686 ' NZ ' ' NE2' ' A' ' 38' ' ' GLN . 1.8 tptm -55.22 -37.03 66.61 Favored 'General case' 0 N--CA 1.44 -0.933 0 C-N-CA 118.179 -1.408 . . . . 0.0 108.189 178.087 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.45 ' O ' ' CG2' ' A' ' 39' ' ' THR . 96.9 mt-10 -74.12 -41.45 61.58 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 112.984 0.735 . . . . 0.0 112.984 179.54 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.433 ' HG ' ' CD2' ' A' ' 18' ' ' HIS . 3.0 tt -65.01 -45.25 86.33 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 120.02 -0.672 . . . . 0.0 111.169 -177.391 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.569 ' O ' ' O ' ' A' ' 41' ' ' LEU . 0.9 OUTLIER -65.0 -44.09 90.4 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 119.328 -0.949 . . . . 0.0 111.311 179.884 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.686 ' NE2' ' NZ ' ' A' ' 34' ' ' LYS . 95.7 mt-30 -63.58 -39.12 93.57 Favored 'General case' 0 CA--C 1.519 -0.216 0 C-N-CA 120.349 -0.54 . . . . 0.0 111.514 179.66 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.45 ' CG2' ' O ' ' A' ' 35' ' ' GLU . 62.5 p -71.46 -32.85 68.79 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.499 -0.48 . . . . 0.0 111.116 179.709 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.501 ' OE1' ' OG ' ' B' ' 2' ' ' SER . 77.3 mm-40 -101.75 -60.01 1.6 Allowed 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 113.383 0.882 . . . . 0.0 113.383 -179.033 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.569 ' O ' ' O ' ' A' ' 37' ' ' LEU . 54.3 mt -99.07 141.55 31.69 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 121.267 0.556 . . . . 0.0 111.535 -179.063 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.9 t -113.41 -59.26 2.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.507 179.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.11 -39.5 92.25 Favored Glycine 0 CA--C 1.532 1.121 0 CA-C-N 116.152 -0.477 . . . . 0.0 114.162 -177.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -63.08 -54.4 38.59 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 118.067 0.933 . . . . 0.0 112.706 -178.095 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -73.97 -37.87 64.35 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 120.526 -0.47 . . . . 0.0 112.105 178.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -59.32 -29.33 67.56 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.136 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.98 -31.75 61.05 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.512 -177.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 81.3 mm-40 -96.81 118.88 34.22 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 119.391 -0.924 . . . . 0.0 109.197 179.021 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 69.1 tttt -63.18 -40.18 96.79 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 114.179 1.177 . . . . 0.0 114.179 -178.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -71.37 142.51 50.36 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 113.125 0.787 . . . . 0.0 113.125 -177.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.9 m -72.13 -28.56 29.81 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.111 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 177.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -60.54 -25.39 66.11 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 114.3 -1.318 . . . . 0.0 108.987 177.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.6 -37.61 50.79 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 114.693 -1.14 . . . . 0.0 110.848 -177.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.499 ' CG1' ' N ' ' A' ' 55' ' ' ASP . 8.2 p -60.42 -42.43 91.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 119.273 -0.971 . . . . 0.0 109.653 178.478 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.499 ' N ' ' CG1' ' A' ' 54' ' ' VAL . 56.1 t0 -61.79 -41.63 97.98 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 179.037 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 48.1 mttm -60.67 -39.75 89.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.523 179.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 69.9 t -65.77 -45.86 90.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 C-N-CA 120.545 -0.462 . . . . 0.0 111.192 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.1 ppp? -69.7 -33.81 73.04 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 114.289 1.218 . . . . 0.0 114.289 -178.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.7 mtmt -59.18 -40.58 86.14 Favored 'General case' 0 CA--C 1.521 -0.169 0 C-N-CA 119.015 -1.074 . . . . 0.0 111.373 -179.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -64.24 -39.95 95.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.36 0.6 . . . . 0.0 110.676 178.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.442 ' O ' ' CD ' ' A' ' 73' ' ' GLU . 80.5 mt -68.33 -34.45 76.14 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.153 -0.93 . . . . 0.0 112.987 -179.168 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.573 ' OD2' ' N ' ' A' ' 67' ' ' GLY . 47.8 t0 -73.38 82.78 1.42 Allowed 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 118.42 -1.312 . . . . 0.0 111.413 -177.814 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -67.18 -46.41 74.04 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 122.653 1.216 . . . . 0.0 112.257 177.15 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 31.8 m120 -57.27 -34.88 69.11 Favored 'General case' 0 C--N 1.299 -1.605 0 CA-C-N 112.38 -2.191 . . . . 0.0 113.259 -177.086 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 89.27 4.17 74.56 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 108.121 -1.992 . . . . 0.0 108.121 -177.167 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.655 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 46.5 p30 -62.23 -30.59 71.2 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 114.132 -1.034 . . . . 0.0 111.411 179.546 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.655 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 100.3 -5.73 57.55 Favored Glycine 0 CA--C 1.52 0.38 0 N-CA-C 110.65 -0.98 . . . . 0.0 110.65 -179.597 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.458 ' OE1' ' HA ' ' A' ' 29' ' ' SER . 29.1 mm-40 -122.62 165.97 15.61 Favored 'General case' 0 C--O 1.242 0.67 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 178.05 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 38.4 t -98.65 132.25 44.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 178.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -96.17 159.28 15.04 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.239 0.542 . . . . 0.0 111.64 -178.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -50.52 -45.06 56.45 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.799 -178.145 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -61.51 -39.97 92.91 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 119.777 -0.769 . . . . 0.0 110.63 178.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.442 ' CD ' ' O ' ' A' ' 61' ' ' LEU . 94.0 mt-10 -65.27 -42.15 93.52 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 121.976 0.893 . . . . 0.0 110.325 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -63.85 -40.37 96.42 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-O 122.256 1.027 . . . . 0.0 109.548 178.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -60.84 -48.12 90.28 Favored 'Isoleucine or valine' 0 C--O 1.245 0.865 0 CA-C-N 113.78 -1.555 . . . . 0.0 110.397 -179.287 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 12.8 m -68.06 -34.05 64.57 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 C-N-CA 118.063 -1.455 . . . . 0.0 109.249 178.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 51.2 tp -56.55 -52.58 64.26 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 119.049 -1.06 . . . . 0.0 111.925 178.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.517 ' O ' ' OG1' ' A' ' 82' ' ' THR . 33.9 m -69.69 -36.62 71.15 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 C-N-CA 118.607 -1.237 . . . . 0.0 111.921 -178.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.43 -48.05 65.61 Favored 'General case' 0 C--O 1.249 1.067 0 C-N-CA 119.084 -1.046 . . . . 0.0 111.855 -179.359 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.3 -40.58 97.75 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 179.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.0 mp -65.47 -33.51 76.1 Favored 'General case' 0 C--O 1.219 -0.535 0 C-N-CA 119.224 -0.991 . . . . 0.0 109.8 176.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.517 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 34.4 m -63.05 -51.47 66.58 Favored 'General case' 0 C--O 1.249 1.066 0 C-N-CA 119.737 -0.785 . . . . 0.0 111.299 179.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 14.0 p -63.25 -39.08 83.92 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 119.428 -0.909 . . . . 0.0 110.718 178.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.513 ' O ' ' CD2' ' A' ' 88' ' ' PHE . . . -65.17 -34.98 79.66 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 120.486 -0.485 . . . . 0.0 109.849 178.834 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 31.0 t -62.87 -55.96 21.56 Favored 'General case' 0 CA--C 1.507 -0.677 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.89 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -57.32 -39.28 75.51 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 118.299 -1.361 . . . . 0.0 108.956 178.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -59.27 -40.22 85.39 Favored 'General case' 0 C--N 1.338 0.086 0 C-N-CA 120.464 -0.495 . . . . 0.0 110.943 179.217 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.537 ' O ' ' O ' ' A' ' 91' ' ' GLU . 61.1 m-85 -67.57 -39.99 84.89 Favored 'General case' 0 CA--C 1.52 -0.175 0 C-N-CA 119.781 -0.768 . . . . 0.0 111.059 178.664 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -62.53 -52.45 63.4 Favored 'General case' 0 C--N 1.33 -0.283 0 C-N-CA 119.691 -0.804 . . . . 0.0 111.255 -179.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.602 ' CE3' ' OH ' ' B' ' 26' ' ' TYR . 23.1 t-105 -67.55 -39.94 84.98 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 121.16 0.505 . . . . 0.0 112.306 178.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.537 ' O ' ' O ' ' A' ' 88' ' ' PHE . 4.6 tm-20 -103.2 140.4 37.42 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.929 -176.691 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.529 ' N ' ' OE1' ' A' ' 91' ' ' GLU . 85.9 m-20 -104.93 137.99 41.85 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.485 179.7 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.452 ' O ' ' OG ' ' A' ' 93' ' ' SER . 18.4 t . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 118.026 -0.987 . . . . 0.0 110.582 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.6 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.501 ' OG ' ' OE1' ' A' ' 40' ' ' GLU . 43.5 t -118.63 141.21 48.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.856 0.36 . . . . 0.0 110.982 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -63.2 -38.79 92.58 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.167 -0.47 . . . . 0.0 112.264 -179.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 5.3 tt -64.14 -42.92 96.59 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-O 121.8 0.81 . . . . 0.0 109.229 -179.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.448 ' OE1' ' C ' ' B' ' 5' ' ' GLU . 7.5 tm-20 -64.37 -39.98 94.92 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.381 179.477 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 45.4 m -60.23 -40.14 89.17 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 178.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.5 -43.97 95.66 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.142 179.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 97.7 mtp -59.05 -41.31 87.58 Favored 'General case' 0 C--O 1.248 0.982 0 CA-C-O 121.778 0.799 . . . . 0.0 109.501 178.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -64.83 -36.24 83.69 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.956 178.281 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 46.5 m -63.25 -44.08 96.2 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 119.962 -0.695 . . . . 0.0 110.314 179.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 45.2 mt -62.42 -43.22 99.34 Favored 'General case' 0 C--O 1.241 0.615 0 C-N-CA 119.434 -0.906 . . . . 0.0 109.338 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.41 HD11 HG23 ' B' ' 12' ' ' ILE . 98.9 mt -61.88 -46.68 95.97 Favored 'Isoleucine or valine' 0 C--O 1.232 0.143 0 C-N-CA 119.796 -0.762 . . . . 0.0 111.335 178.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -61.5 -41.93 98.03 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 -178.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 14.5 m -73.88 -41.87 53.55 Favored 'Isoleucine or valine' 0 C--O 1.257 1.468 0 C-N-CA 119.2 -1.0 . . . . 0.0 111.908 -179.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -60.49 -47.62 85.34 Favored 'General case' 0 CA--C 1.508 -0.656 0 C-N-CA 119.008 -1.077 . . . . 0.0 109.529 178.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -64.25 -35.06 79.6 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.07 178.233 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.549 ' O ' ' CB ' ' B' ' 21' ' ' LYS . . . -57.36 -52.6 64.72 Favored 'General case' 0 N--CA 1.436 -1.163 0 C-N-CA 118.764 -1.174 . . . . 0.0 110.009 -178.542 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.441 ' CD2' ' HG ' ' B' ' 36' ' ' LEU . 20.6 m-70 -78.68 -49.81 12.51 Favored 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 118.412 -1.315 . . . . 0.0 114.093 -179.564 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.532 ' HG ' ' N ' ' B' ' 26' ' ' TYR . 40.6 t -57.78 -42.24 83.68 Favored 'General case' 0 CA--C 1.516 -0.364 0 C-N-CA 119.537 -0.865 . . . . 0.0 110.713 -178.612 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -77.82 -43.36 14.69 Favored Glycine 0 CA--C 1.528 0.886 0 C-N-CA 120.796 -0.716 . . . . 0.0 111.997 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.549 ' CB ' ' O ' ' B' ' 17' ' ' ALA . 7.3 ttpm? -58.73 -42.25 88.34 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 -179.152 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.534 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 85.3 tt0 -126.87 141.71 51.74 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 119.924 -0.71 . . . . 0.0 112.892 -178.342 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.75 -150.65 52.06 Favored Glycine 0 C--N 1.334 0.418 0 CA-C-N 115.304 -0.862 . . . . 0.0 112.238 177.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -68.56 146.31 53.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.036 -0.582 . . . . 0.0 109.521 179.203 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 24.2 mtmm -85.45 151.82 23.68 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 -179.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.602 ' OH ' ' CE3' ' A' ' 90' ' ' TRP . 93.3 m-85 61.33 10.51 3.12 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.512 ' NZ ' ' OD2' ' B' ' 66' ' ' ASP . 25.5 tptt -137.95 132.23 32.04 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 105.436 -2.061 . . . . 0.0 105.436 175.016 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 19.2 tp -110.93 122.88 48.98 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.449 -0.5 . . . . 0.0 110.309 -176.272 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.463 ' HA ' ' OE1' ' B' ' 68' ' ' GLU . 81.9 p -86.59 165.97 15.76 Favored 'General case' 0 C--N 1.332 -0.196 0 C-N-CA 120.884 -0.326 . . . . 0.0 111.152 -179.475 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 5.0 ttpm? -56.83 -48.24 78.47 Favored 'General case' 0 C--O 1.243 0.737 0 CA-C-O 121.492 0.663 . . . . 0.0 112.191 -178.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.571 ' CG ' ' N ' ' B' ' 32' ' ' GLU . 24.2 pttm -60.95 -47.04 88.25 Favored 'General case' 0 N--CA 1.441 -0.9 0 C-N-CA 119.931 -0.708 . . . . 0.0 109.552 -178.427 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.571 ' N ' ' CG ' ' B' ' 31' ' ' LYS . 97.1 mt-10 -62.24 -47.73 83.11 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.536 -0.756 . . . . 0.0 112.23 -178.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.69 -34.87 76.52 Favored 'General case' 0 CA--C 1.502 -0.884 0 C-N-CA 118.08 -1.448 . . . . 0.0 109.417 179.49 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.701 ' NZ ' HE22 ' B' ' 38' ' ' GLN . 1.8 tptm -55.24 -37.11 66.79 Favored 'General case' 0 N--CA 1.44 -0.945 0 C-N-CA 118.139 -1.424 . . . . 0.0 108.146 178.01 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.451 ' O ' ' CG2' ' B' ' 39' ' ' THR . 97.0 mt-10 -74.06 -41.46 61.71 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 112.943 0.72 . . . . 0.0 112.943 179.592 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.441 ' HG ' ' CD2' ' B' ' 18' ' ' HIS . 3.1 tt -64.93 -45.35 86.21 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 120.082 -0.647 . . . . 0.0 111.146 -177.353 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.567 ' O ' ' O ' ' B' ' 41' ' ' LEU . 0.9 OUTLIER -64.89 -44.27 90.16 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 119.312 -0.955 . . . . 0.0 111.231 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.701 HE22 ' NZ ' ' B' ' 34' ' ' LYS . 95.7 mt-30 -63.47 -39.17 93.76 Favored 'General case' 0 CA--C 1.52 -0.198 0 C-N-CA 120.328 -0.549 . . . . 0.0 111.467 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.451 ' CG2' ' O ' ' B' ' 35' ' ' GLU . 60.1 p -71.47 -32.8 68.69 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.439 -0.504 . . . . 0.0 111.074 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.499 ' OE1' ' OG ' ' A' ' 2' ' ' SER . 77.5 mm-40 -101.8 -60.02 1.6 Allowed 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 -179.002 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.567 ' O ' ' O ' ' B' ' 37' ' ' LEU . 54.4 mt -99.07 141.55 31.69 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 121.281 0.562 . . . . 0.0 111.55 -179.072 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 5.0 t -113.53 -59.21 2.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.446 179.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.02 -39.5 92.04 Favored Glycine 0 CA--C 1.532 1.124 0 CA-C-N 116.172 -0.467 . . . . 0.0 114.155 -178.058 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -63.11 -54.38 38.75 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 118.045 0.923 . . . . 0.0 112.744 -178.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -73.92 -37.92 64.48 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 120.54 -0.464 . . . . 0.0 112.126 178.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -59.31 -29.4 67.59 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.94 -31.69 60.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.508 -177.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -96.94 118.94 34.45 Favored 'General case' 0 N--CA 1.462 0.151 0 C-N-CA 119.367 -0.933 . . . . 0.0 109.109 179.059 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 69.2 tttt -63.16 -40.16 96.74 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 114.174 1.176 . . . . 0.0 114.174 -178.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -71.52 142.61 50.12 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 -177.241 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 4.9 m -72.15 -28.58 29.78 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.169 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 177.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -60.61 -25.28 66.14 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 114.403 -1.271 . . . . 0.0 109.064 177.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.71 -37.5 51.13 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 114.69 -1.141 . . . . 0.0 110.881 -178.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.503 ' CG1' ' N ' ' B' ' 55' ' ' ASP . 8.1 p -60.47 -42.38 91.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 119.255 -0.978 . . . . 0.0 109.655 178.425 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.503 ' N ' ' CG1' ' B' ' 54' ' ' VAL . 56.0 t0 -61.69 -41.86 98.15 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 178.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 48.0 mttm -60.51 -39.76 88.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.575 179.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 69.8 t -65.84 -45.74 90.6 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 C-N-CA 120.622 -0.431 . . . . 0.0 111.232 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 1.1 ppp? -69.75 -33.83 72.98 Favored 'General case' 0 CA--C 1.535 0.404 0 N-CA-C 114.306 1.225 . . . . 0.0 114.306 -178.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 13.7 mtmt -59.2 -40.63 86.35 Favored 'General case' 0 CA--C 1.521 -0.142 0 C-N-CA 119.053 -1.059 . . . . 0.0 111.306 -179.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -64.3 -39.89 94.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.244 0.545 . . . . 0.0 110.607 178.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.432 ' O ' ' CD ' ' B' ' 73' ' ' GLU . 80.4 mt -68.27 -34.57 76.42 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.261 -0.881 . . . . 0.0 112.964 -179.201 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.578 ' OD2' ' N ' ' B' ' 67' ' ' GLY . 47.9 t0 -73.36 82.79 1.41 Allowed 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 118.375 -1.33 . . . . 0.0 111.375 -177.735 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -67.13 -46.42 74.16 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 122.621 1.201 . . . . 0.0 112.281 177.08 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 31.8 m120 -57.32 -34.9 69.22 Favored 'General case' 0 C--N 1.299 -1.612 0 CA-C-N 112.472 -2.149 . . . . 0.0 113.229 -177.092 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 89.22 4.19 74.66 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 108.164 -1.974 . . . . 0.0 108.164 -177.127 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.659 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 46.6 p30 -62.18 -30.72 71.26 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 114.084 -1.058 . . . . 0.0 111.37 179.572 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.659 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 100.44 -5.78 57.34 Favored Glycine 0 CA--C 1.52 0.369 0 N-CA-C 110.659 -0.976 . . . . 0.0 110.659 -179.539 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.463 ' OE1' ' HA ' ' B' ' 29' ' ' SER . 29.2 mm-40 -122.68 166.04 15.55 Favored 'General case' 0 C--O 1.243 0.728 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 178.047 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 38.6 t -98.65 132.34 44.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 178.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -95.76 159.2 15.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.259 0.552 . . . . 0.0 111.56 -178.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -50.65 -45.01 57.66 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.741 -178.499 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -61.64 -39.92 93.06 Favored 'General case' 0 C--O 1.241 0.653 0 C-N-CA 119.842 -0.743 . . . . 0.0 110.552 178.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.432 ' CD ' ' O ' ' B' ' 61' ' ' LEU . 94.1 mt-10 -65.36 -41.99 93.25 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-O 121.884 0.849 . . . . 0.0 110.359 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -63.97 -40.35 96.21 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-O 122.222 1.011 . . . . 0.0 109.474 178.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -60.85 -48.19 90.01 Favored 'Isoleucine or valine' 0 C--O 1.245 0.856 0 CA-C-N 113.822 -1.535 . . . . 0.0 110.365 -179.303 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 13.0 m -68.15 -33.96 63.81 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 C-N-CA 117.944 -1.503 . . . . 0.0 109.172 178.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 51.3 tp -56.57 -52.58 64.27 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 119.06 -1.056 . . . . 0.0 111.896 178.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.511 ' O ' ' OG1' ' B' ' 82' ' ' THR . 33.9 m -69.64 -36.68 71.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 C-N-CA 118.575 -1.25 . . . . 0.0 111.957 -178.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.36 -48.04 65.83 Favored 'General case' 0 C--O 1.249 1.056 0 C-N-CA 119.149 -1.02 . . . . 0.0 111.907 -179.361 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.4 -40.49 97.35 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 179.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 5.9 mp -65.46 -33.49 76.05 Favored 'General case' 0 C--O 1.218 -0.571 0 C-N-CA 119.17 -1.012 . . . . 0.0 109.806 176.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.511 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 35.4 m -63.14 -51.38 66.71 Favored 'General case' 0 C--O 1.249 1.062 0 C-N-CA 119.634 -0.826 . . . . 0.0 111.236 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 14.0 p -63.23 -39.04 83.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 119.308 -0.957 . . . . 0.0 110.749 178.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . 0.511 ' O ' ' CD2' ' B' ' 88' ' ' PHE . . . -65.18 -34.88 79.42 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 120.445 -0.502 . . . . 0.0 109.857 178.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 31.6 t -62.98 -55.95 21.32 Favored 'General case' 0 CA--C 1.508 -0.669 0 CA-C-N 115.463 -0.789 . . . . 0.0 109.818 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -57.34 -39.34 75.7 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 118.417 -1.313 . . . . 0.0 108.859 179.012 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -59.32 -40.25 85.68 Favored 'General case' 0 C--N 1.337 0.06 0 C-N-CA 120.484 -0.486 . . . . 0.0 110.901 179.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.543 ' O ' ' O ' ' B' ' 91' ' ' GLU . 61.2 m-85 -67.51 -40.09 85.13 Favored 'General case' 0 CA--C 1.522 -0.132 0 C-N-CA 119.873 -0.731 . . . . 0.0 111.04 178.657 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -62.48 -52.39 63.69 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 119.637 -0.825 . . . . 0.0 111.297 -179.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.596 ' CE3' ' OH ' ' A' ' 26' ' ' TYR . 23.1 t-105 -67.62 -39.92 84.69 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 121.194 0.521 . . . . 0.0 112.3 179.013 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.543 ' O ' ' O ' ' B' ' 88' ' ' PHE . 4.6 tm-20 -103.24 140.38 37.45 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.961 -176.709 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . 0.519 ' N ' ' OE1' ' B' ' 91' ' ' GLU . 85.9 m-20 -104.87 137.96 41.85 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.534 179.728 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 93' ' ' SER . . . . . 0.416 ' OG ' ' O ' ' B' ' 93' ' ' SER . 18.3 t . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 118.016 -0.992 . . . . 0.0 110.501 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 201' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.703 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.504 ' OG ' ' OE1' ' B' ' 40' ' ' GLU . 35.3 t -118.57 140.41 49.93 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.656 0.265 . . . . 0.0 110.597 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.14 -37.95 89.25 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.941 -179.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.7 tt -61.04 -41.18 96.1 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 -178.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.52 -37.57 87.16 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.369 178.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 43.8 m -59.16 -41.05 87.45 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 179.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.64 -46.13 83.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.43 179.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.413 ' HE1' ' HG1' ' B' ' 82' ' ' THR . 99.4 mtp -59.39 -41.56 89.68 Favored 'General case' 0 C--O 1.248 1.018 0 CA-C-O 121.724 0.773 . . . . 0.0 109.834 179.602 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -65.41 -35.58 81.36 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.239 177.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 49.1 m -63.81 -42.99 97.57 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 119.589 -0.844 . . . . 0.0 109.892 179.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 37.9 mt -61.76 -42.58 99.17 Favored 'General case' 0 C--O 1.24 0.553 0 C-N-CA 119.043 -1.063 . . . . 0.0 108.798 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.4 mt -61.19 -45.66 98.16 Favored 'Isoleucine or valine' 0 C--O 1.231 0.113 0 C-N-CA 119.693 -0.803 . . . . 0.0 111.221 178.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -62.15 -41.76 98.59 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 113.14 0.792 . . . . 0.0 113.14 -178.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.8 m -73.78 -41.21 54.3 Favored 'Isoleucine or valine' 0 C--O 1.256 1.419 0 C-N-CA 119.27 -0.972 . . . . 0.0 111.569 -179.195 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.434 ' CE2' ' CG ' ' A' ' 71' ' ' PHE . 84.5 t80 -59.96 -47.95 83.71 Favored 'General case' 0 CA--C 1.509 -0.597 0 C-N-CA 119.585 -0.846 . . . . 0.0 109.793 177.615 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -65.78 -34.0 77.17 Favored 'General case' 0 CA--C 1.504 -0.824 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.595 178.164 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.525 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . -58.55 -52.58 65.06 Favored 'General case' 0 N--CA 1.438 -1.056 0 C-N-CA 118.757 -1.177 . . . . 0.0 110.092 -178.498 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.44 ' CD2' ' HG ' ' A' ' 36' ' ' LEU . 22.0 m-70 -78.84 -48.31 14.95 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 118.618 -1.233 . . . . 0.0 113.595 -179.796 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.641 ' HG ' ' N ' ' A' ' 26' ' ' TYR . 41.8 t -58.29 -44.16 88.38 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 119.549 -0.86 . . . . 0.0 110.74 -179.238 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.1 -43.88 31.47 Favored Glycine 0 CA--C 1.526 0.745 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.81 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.525 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 7.3 ttpm? -59.34 -41.34 88.94 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 -178.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.519 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 49.2 tp10 -122.67 140.87 52.37 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 -178.066 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.36 -141.9 47.88 Favored Glycine 0 CA--C 1.52 0.405 0 CA-C-N 114.88 -1.054 . . . . 0.0 112.595 177.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -70.63 146.44 50.03 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.03 -0.585 . . . . 0.0 109.977 179.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.4 mtmm -86.48 150.34 24.35 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 -179.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.641 ' N ' ' HG ' ' A' ' 19' ' ' SER . 87.7 m-85 60.42 14.76 4.98 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.442 ' HZ3' ' HG2' ' A' ' 68' ' ' GLU . 18.2 tptm -136.47 136.22 39.27 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 106.751 -1.574 . . . . 0.0 106.751 176.684 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.457 ' C ' ' OE2' ' A' ' 68' ' ' GLU . 14.1 tp -115.03 130.74 57.01 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 120.49 -0.484 . . . . 0.0 111.549 -175.41 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.45 ' CA ' ' OE2' ' A' ' 68' ' ' GLU . 39.7 t -104.92 158.62 16.41 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.597 179.575 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.2 ttpt -53.26 -46.44 69.23 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-O 121.253 0.549 . . . . 0.0 111.481 -177.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.607 ' CG ' ' N ' ' A' ' 32' ' ' GLU . 47.5 pttt -59.83 -48.29 82.29 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.674 -178.475 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.607 ' N ' ' CG ' ' A' ' 31' ' ' LYS . 95.3 mt-10 -63.16 -48.28 79.09 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 115.375 -0.829 . . . . 0.0 112.299 -178.402 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.2 pp -62.36 -34.17 76.17 Favored 'General case' 0 CA--C 1.496 -1.115 0 C-N-CA 118.318 -1.353 . . . . 0.0 110.025 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.597 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 14.7 tptp -54.78 -36.51 64.95 Favored 'General case' 0 N--CA 1.434 -1.235 0 C-N-CA 117.5 -1.68 . . . . 0.0 107.629 178.462 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -74.67 -41.91 59.43 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 120.154 -0.619 . . . . 0.0 112.462 178.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.44 ' HG ' ' CD2' ' A' ' 18' ' ' HIS . 2.2 tt -64.62 -45.34 87.28 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 120.298 -0.561 . . . . 0.0 111.299 -177.543 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.568 ' O ' ' N ' ' A' ' 41' ' ' LEU . 1.1 mm? -64.31 -43.05 95.93 Favored 'General case' 0 CA--C 1.521 -0.135 0 C-N-CA 119.038 -1.065 . . . . 0.0 111.17 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.597 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 27.4 mt-30 -63.91 -39.65 94.66 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 120.247 -0.581 . . . . 0.0 112.124 179.515 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 81.3 p -71.2 -37.57 72.09 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 119.733 -0.787 . . . . 0.0 111.427 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.503 ' OE1' ' OG ' ' B' ' 2' ' ' SER . 76.4 mm-40 -92.5 -53.62 4.13 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.568 ' N ' ' O ' ' A' ' 37' ' ' LEU . 27.9 mt -103.68 141.62 35.75 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.26 0.552 . . . . 0.0 111.096 -179.432 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.547 ' OG ' ' N ' ' A' ' 43' ' ' GLY . 24.9 p -114.53 -67.22 1.01 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.872 179.231 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.547 ' N ' ' OG ' ' A' ' 42' ' ' SER . . . -57.87 -37.78 86.01 Favored Glycine 0 CA--C 1.531 1.044 0 CA-C-N 115.812 -0.631 . . . . 0.0 113.714 -178.647 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -61.02 -53.93 51.19 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 118.015 0.907 . . . . 0.0 112.233 -178.09 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -74.18 -37.49 63.93 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 120.597 -0.441 . . . . 0.0 111.502 178.364 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -59.36 -29.43 67.68 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.042 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.76 -31.72 59.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.706 -177.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 82.0 mm-40 -96.65 119.33 34.93 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 119.351 -0.94 . . . . 0.0 109.124 179.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -62.92 -40.73 98.51 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 114.169 1.174 . . . . 0.0 114.169 -178.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -71.73 142.38 49.79 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 -177.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.0 m -72.05 -29.36 32.57 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.184 0 N-CA-C 107.791 -1.188 . . . . 0.0 107.791 177.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -58.99 -25.07 63.29 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 114.309 -1.314 . . . . 0.0 108.93 177.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.37 -37.73 57.04 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 114.572 -1.194 . . . . 0.0 110.97 -178.02 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.496 ' CG1' ' N ' ' A' ' 55' ' ' ASP . 9.1 p -60.16 -42.47 90.28 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 C-N-CA 119.141 -1.023 . . . . 0.0 109.517 178.598 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.496 ' N ' ' CG1' ' A' ' 54' ' ' VAL . 55.8 t0 -61.91 -42.54 99.21 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.389 178.729 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 55.4 mttm -60.29 -38.98 85.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.31 179.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 72.8 t -65.11 -43.99 95.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.18 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.459 ' CE ' ' O ' ' A' ' 67' ' ' GLY . 1.4 ppp? -70.48 -33.1 70.87 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 115.123 1.527 . . . . 0.0 115.123 -178.266 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.458 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 29.1 mmtm -59.62 -40.12 86.52 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 119.507 -0.877 . . . . 0.0 112.967 -178.456 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -70.53 -35.18 73.01 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 119.455 -0.898 . . . . 0.0 110.1 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.404 ' O ' ' CD ' ' A' ' 73' ' ' GLU . 85.0 mt -67.5 -34.72 77.71 Favored 'General case' 0 CA--C 1.511 -0.537 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.966 179.534 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.613 ' OD2' ' N ' ' A' ' 67' ' ' GLY . 50.2 t0 -75.34 93.37 2.89 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 118.739 -1.184 . . . . 0.0 111.436 -177.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -64.19 -45.98 85.97 Favored 'General case' 0 CA--C 1.508 -0.654 0 CA-C-O 122.586 1.184 . . . . 0.0 111.286 176.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 31.2 m120 -59.12 -33.02 70.36 Favored 'General case' 0 C--N 1.298 -1.635 0 CA-C-N 112.566 -2.106 . . . . 0.0 112.568 -178.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.8 18.47 67.82 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 108.09 -2.004 . . . . 0.0 108.09 -176.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.599 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 50.1 p30 -86.5 5.86 33.31 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 114.172 -1.014 . . . . 0.0 112.375 -178.581 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.613 ' N ' ' OD2' ' A' ' 62' ' ' ASP . . . 63.14 -1.44 1.94 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.161 -1.175 . . . . 0.0 110.161 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.565 ' H ' ' C ' ' A' ' 66' ' ' ASP . 37.0 tp10 -114.89 141.03 48.48 Favored 'General case' 0 C--O 1.239 0.525 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 -179.535 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 46.5 t -102.77 132.61 48.55 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.451 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 -179.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.494 ' C ' ' OD1' ' A' ' 70' ' ' ASP . 28.9 p30 -101.96 172.11 7.12 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 121.194 0.521 . . . . 0.0 110.842 -178.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.434 ' CG ' ' CE2' ' A' ' 15' ' ' PHE . 0.9 OUTLIER -54.07 -45.34 71.69 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.965 -178.403 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -61.74 -41.04 97.14 Favored 'General case' 0 C--O 1.245 0.827 0 C-N-CA 119.841 -0.743 . . . . 0.0 111.84 -179.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.404 ' CD ' ' O ' ' A' ' 61' ' ' LEU . 94.1 mt-10 -64.72 -41.74 95.76 Favored 'General case' 0 C--O 1.241 0.657 0 CA-C-O 122.08 0.943 . . . . 0.0 109.985 179.387 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 70.3 t80 -63.71 -40.98 98.11 Favored 'General case' 0 C--O 1.241 0.62 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.19 178.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -60.0 -47.69 90.78 Favored 'Isoleucine or valine' 0 C--O 1.248 0.99 0 CA-C-N 113.926 -1.488 . . . . 0.0 109.817 -179.092 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 14.3 m -67.46 -34.43 68.52 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 C-N-CA 117.727 -1.589 . . . . 0.0 109.313 178.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 43.6 tp -55.95 -51.56 67.25 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 118.671 -1.212 . . . . 0.0 111.925 178.095 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 35.1 m -69.13 -36.2 72.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 118.544 -1.262 . . . . 0.0 111.764 -178.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.92 -47.68 68.08 Favored 'General case' 0 C--O 1.251 1.143 0 C-N-CA 119.052 -1.059 . . . . 0.0 111.814 -179.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.4 ' O ' HG11 ' A' ' 83' ' ' VAL . . . -63.21 -39.89 95.92 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.261 179.492 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.0 mp -65.25 -34.88 79.41 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 119.184 -1.006 . . . . 0.0 109.714 176.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.425 ' HG1' ' HE1' ' B' ' 8' ' ' MET . 39.2 m -62.79 -50.59 70.4 Favored 'General case' 0 C--O 1.249 1.045 0 C-N-CA 119.704 -0.798 . . . . 0.0 111.386 179.739 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.4 HG11 ' O ' ' A' ' 80' ' ' ALA . 14.1 p -63.21 -38.84 83.18 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 119.081 -1.048 . . . . 0.0 110.588 178.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.42 ' O ' ' CD2' ' A' ' 88' ' ' PHE . . . -64.83 -34.25 77.93 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 120.429 -0.508 . . . . 0.0 109.906 178.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 40.6 t -63.48 -54.5 35.41 Favored 'General case' 0 CA--C 1.508 -0.647 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.342 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -55.77 -40.4 72.56 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 118.522 -1.271 . . . . 0.0 108.702 178.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.676 ' O ' ' HB2' ' A' ' 91' ' ' GLU . 86.6 m-20 -59.77 -42.07 92.47 Favored 'General case' 0 C--O 1.204 -1.33 0 C-N-CA 120.172 -0.611 . . . . 0.0 110.563 178.734 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.522 ' O ' ' O ' ' A' ' 91' ' ' GLU . 75.9 m-85 -66.06 -36.2 82.58 Favored 'General case' 0 C--N 1.31 -1.115 0 C-N-CA 117.061 -1.856 . . . . 0.0 110.558 178.644 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -64.94 -61.8 1.95 Allowed 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 119.51 -0.876 . . . . 0.0 112.154 -178.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.517 ' CE3' ' OH ' ' B' ' 26' ' ' TYR . 19.8 t-105 -68.76 -43.07 76.57 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 121.625 0.726 . . . . 0.0 111.595 179.043 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.676 ' HB2' ' O ' ' A' ' 87' ' ' ASN . 67.9 mm-40 -98.46 148.84 23.32 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.602 -1.181 . . . . 0.0 111.426 -179.023 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 59.14 43.98 16.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.684 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 32.0 p . . . . . 0 C--O 1.219 -0.537 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.51 179.968 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.561 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.503 ' OG ' ' OE1' ' A' ' 40' ' ' GLU . 35.6 t -118.72 140.36 50.06 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.712 0.291 . . . . 0.0 110.519 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -63.1 -37.89 89.02 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 5.7 tt -61.13 -41.26 96.4 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -178.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.43 -37.67 87.6 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.393 178.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 43.8 m -59.14 -40.99 87.22 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.69 -46.11 83.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.526 179.192 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' MET . . . . . 0.425 ' HE1' ' HG1' ' A' ' 82' ' ' THR . 99.4 mtp -59.43 -41.52 89.77 Favored 'General case' 0 C--O 1.248 0.976 0 CA-C-O 121.613 0.72 . . . . 0.0 109.932 179.519 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -65.23 -36.51 84.39 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.161 177.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 45.9 m -62.89 -43.3 99.17 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 119.709 -0.796 . . . . 0.0 110.042 179.164 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 43.7 mt -61.79 -42.47 99.04 Favored 'General case' 0 C--O 1.24 0.592 0 C-N-CA 119.117 -1.033 . . . . 0.0 108.78 179.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.407 HG22 HD12 ' B' ' 12' ' ' ILE . 97.5 mt -61.19 -45.64 98.2 Favored 'Isoleucine or valine' 0 C--O 1.231 0.114 0 C-N-CA 119.782 -0.767 . . . . 0.0 111.191 178.576 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -62.27 -41.8 98.79 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -178.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 14.5 m -73.71 -41.17 54.76 Favored 'Isoleucine or valine' 0 C--O 1.256 1.419 0 C-N-CA 119.244 -0.982 . . . . 0.0 111.562 -179.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.435 ' CE2' ' CG ' ' B' ' 71' ' ' PHE . 84.3 t80 -59.98 -47.94 83.73 Favored 'General case' 0 CA--C 1.51 -0.562 0 C-N-CA 119.598 -0.841 . . . . 0.0 109.775 177.674 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -65.78 -34.04 77.24 Favored 'General case' 0 CA--C 1.504 -0.81 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.566 178.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.531 ' O ' ' CB ' ' B' ' 21' ' ' LYS . . . -58.53 -52.47 65.49 Favored 'General case' 0 N--CA 1.436 -1.135 0 C-N-CA 118.728 -1.189 . . . . 0.0 110.195 -178.556 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.444 ' CD2' ' HG ' ' B' ' 36' ' ' LEU . 21.7 m-70 -78.93 -48.25 14.91 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 118.543 -1.263 . . . . 0.0 113.513 -179.771 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.643 ' HG ' ' N ' ' B' ' 26' ' ' TYR . 42.5 t -58.39 -44.16 88.83 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 119.685 -0.806 . . . . 0.0 110.676 -179.186 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.12 -43.93 31.21 Favored Glycine 0 CA--C 1.526 0.755 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.779 179.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.531 ' CB ' ' O ' ' B' ' 17' ' ' ALA . 7.3 ttpm? -59.32 -41.29 88.73 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 113.92 1.081 . . . . 0.0 113.92 -178.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.515 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 49.3 tp10 -122.84 140.97 52.37 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 113.313 0.856 . . . . 0.0 113.313 -178.094 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.29 -141.9 47.82 Favored Glycine 0 C--N 1.334 0.454 0 CA-C-N 114.777 -1.101 . . . . 0.0 112.6 177.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -70.58 146.33 50.18 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.083 -0.558 . . . . 0.0 109.944 179.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 25.4 mtmm -86.41 150.26 24.43 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 -179.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.643 ' N ' ' HG ' ' B' ' 19' ' ' SER . 88.0 m-85 60.41 14.88 5.05 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.438 ' HZ3' ' HG2' ' B' ' 68' ' ' GLU . 17.9 tptm -136.47 136.35 39.37 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 106.744 -1.576 . . . . 0.0 106.744 176.58 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.464 ' C ' ' OE2' ' B' ' 68' ' ' GLU . 14.1 tp -115.03 130.65 56.99 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 120.586 -0.445 . . . . 0.0 111.624 -175.456 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.459 ' CA ' ' OE2' ' B' ' 68' ' ' GLU . 40.3 t -104.79 158.48 16.49 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 122.52 0.328 . . . . 0.0 110.624 179.568 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 20.1 ttpt -53.12 -46.54 68.79 Favored 'General case' 0 C--O 1.24 0.561 0 CA-C-O 121.23 0.538 . . . . 0.0 111.506 -177.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.6 ' CG ' ' N ' ' B' ' 32' ' ' GLU . 47.4 pttt -59.82 -48.37 81.95 Favored 'General case' 0 N--CA 1.44 -0.932 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.67 -178.501 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.6 ' N ' ' CG ' ' B' ' 31' ' ' LYS . 95.2 mt-10 -63.12 -48.22 79.46 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.394 -0.821 . . . . 0.0 112.24 -178.406 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.2 pp -62.39 -34.23 76.32 Favored 'General case' 0 CA--C 1.496 -1.104 0 C-N-CA 118.368 -1.333 . . . . 0.0 110.026 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.592 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 14.7 tptp -54.64 -36.6 64.72 Favored 'General case' 0 N--CA 1.433 -1.293 0 C-N-CA 117.551 -1.66 . . . . 0.0 107.691 178.386 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -74.7 -41.78 59.58 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 120.149 -0.62 . . . . 0.0 112.479 178.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.444 ' HG ' ' CD2' ' B' ' 18' ' ' HIS . 2.2 tt -64.68 -45.45 86.64 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 120.306 -0.557 . . . . 0.0 111.281 -177.554 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.573 ' O ' ' N ' ' B' ' 41' ' ' LEU . 1.1 mm? -64.25 -43.12 95.87 Favored 'General case' 0 CA--C 1.521 -0.156 0 C-N-CA 119.131 -1.027 . . . . 0.0 111.111 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.592 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 27.4 mt-30 -63.87 -39.74 94.89 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 120.3 -0.56 . . . . 0.0 111.993 179.608 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 81.4 p -71.18 -37.58 72.16 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 119.76 -0.776 . . . . 0.0 111.378 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.504 ' OE1' ' OG ' ' A' ' 2' ' ' SER . 76.4 mm-40 -92.52 -53.63 4.12 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.573 ' N ' ' O ' ' B' ' 37' ' ' LEU . 28.0 mt -103.71 141.67 35.67 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.197 0.522 . . . . 0.0 111.118 -179.428 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.551 ' OG ' ' N ' ' B' ' 43' ' ' GLY . 25.1 p -114.62 -67.28 1.01 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.815 179.299 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . 0.551 ' N ' ' OG ' ' B' ' 42' ' ' SER . . . -57.9 -37.73 85.98 Favored Glycine 0 CA--C 1.531 1.052 0 CA-C-N 115.853 -0.612 . . . . 0.0 113.672 -178.603 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -61.09 -53.87 51.67 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 118.042 0.921 . . . . 0.0 112.237 -178.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -74.09 -37.6 64.12 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 120.613 -0.435 . . . . 0.0 111.427 178.367 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -59.32 -29.47 67.65 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.015 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.87 -31.6 59.91 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.642 -177.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -96.6 119.33 34.89 Favored 'General case' 0 C--N 1.333 -0.152 0 C-N-CA 119.388 -0.925 . . . . 0.0 109.132 179.046 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -63.05 -40.6 98.2 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 114.13 1.159 . . . . 0.0 114.13 -178.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -71.85 142.41 49.58 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 -177.289 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 5.0 m -72.05 -29.36 32.53 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.18 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 177.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -59.08 -25.12 63.5 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 114.304 -1.316 . . . . 0.0 108.886 177.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.29 -37.67 56.24 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 114.606 -1.179 . . . . 0.0 111.078 -178.105 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.493 ' CG1' ' N ' ' B' ' 55' ' ' ASP . 9.1 p -60.23 -42.48 90.56 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 C-N-CA 119.141 -1.023 . . . . 0.0 109.47 178.547 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.493 ' N ' ' CG1' ' B' ' 54' ' ' VAL . 55.8 t0 -61.89 -42.48 99.12 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.406 178.741 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 55.3 mttm -60.34 -39.09 85.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.286 179.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 72.0 t -64.92 -44.04 96.19 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.324 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.249 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' MET . . . . . 0.467 ' CE ' ' O ' ' B' ' 67' ' ' GLY . 1.4 ppp? -70.5 -33.08 70.82 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 115.113 1.523 . . . . 0.0 115.113 -178.199 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.46 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 29.1 mmtm -59.61 -40.1 86.42 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 119.533 -0.867 . . . . 0.0 112.931 -178.394 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -70.59 -35.07 72.83 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 119.365 -0.934 . . . . 0.0 110.121 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.405 ' O ' ' CD ' ' B' ' 73' ' ' GLU . 85.1 mt -67.63 -34.72 77.53 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.851 179.579 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.609 ' OD2' ' N ' ' B' ' 67' ' ' GLY . 50.1 t0 -75.41 93.49 2.95 Favored 'General case' 0 N--CA 1.446 -0.647 0 C-N-CA 118.775 -1.17 . . . . 0.0 111.423 -178.007 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -64.24 -45.98 85.8 Favored 'General case' 0 CA--C 1.508 -0.652 0 CA-C-O 122.589 1.185 . . . . 0.0 111.238 176.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 31.1 m120 -59.18 -33.04 70.47 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-N 112.556 -2.111 . . . . 0.0 112.49 -178.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.81 18.51 67.7 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 108.1 -2.0 . . . . 0.0 108.1 -176.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.594 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 50.3 p30 -86.49 5.74 33.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 114.192 -1.004 . . . . 0.0 112.317 -178.543 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.609 ' N ' ' OD2' ' B' ' 62' ' ' ASP . . . 63.07 -1.38 1.91 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.167 -1.173 . . . . 0.0 110.167 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.548 ' H ' ' C ' ' B' ' 66' ' ' ASP . 36.6 tp10 -114.89 141.07 48.43 Favored 'General case' 0 C--O 1.24 0.568 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 -179.544 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 46.6 t -102.8 132.55 48.72 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.49 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 -179.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.493 ' C ' ' OD1' ' B' ' 70' ' ' ASP . 29.6 p30 -101.64 172.09 7.16 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.24 0.543 . . . . 0.0 110.87 -178.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.435 ' CG ' ' CE2' ' B' ' 15' ' ' PHE . 0.9 OUTLIER -54.17 -45.38 72.08 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.887 -178.507 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -61.68 -41.0 96.97 Favored 'General case' 0 C--O 1.243 0.741 0 C-N-CA 119.842 -0.743 . . . . 0.0 111.849 -179.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.405 ' CD ' ' O ' ' B' ' 61' ' ' LEU . 94.2 mt-10 -64.76 -41.8 95.6 Favored 'General case' 0 C--O 1.242 0.66 0 CA-C-O 122.052 0.93 . . . . 0.0 109.922 179.432 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -63.6 -40.99 98.35 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.221 178.108 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -60.08 -47.59 91.29 Favored 'Isoleucine or valine' 0 C--O 1.248 1.023 0 CA-C-N 113.901 -1.499 . . . . 0.0 109.811 -179.037 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 14.6 m -67.58 -34.47 68.44 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 C-N-CA 117.752 -1.579 . . . . 0.0 109.186 178.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 43.3 tp -55.88 -51.58 67.08 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 118.68 -1.208 . . . . 0.0 111.905 178.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 35.2 m -69.15 -36.21 72.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 118.51 -1.276 . . . . 0.0 111.705 -178.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.87 -47.72 68.11 Favored 'General case' 0 C--O 1.25 1.098 0 C-N-CA 119.032 -1.067 . . . . 0.0 111.828 -179.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.21 -39.88 95.9 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.214 179.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 5.9 mp -65.15 -35.05 79.89 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 119.23 -0.988 . . . . 0.0 109.767 176.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.413 ' HG1' ' HE1' ' A' ' 8' ' ' MET . 40.2 m -62.85 -50.34 71.33 Favored 'General case' 0 C--O 1.248 0.999 0 C-N-CA 119.566 -0.854 . . . . 0.0 111.38 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 14.1 p -63.3 -38.82 83.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 C-N-CA 119.097 -1.041 . . . . 0.0 110.643 178.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . 0.428 ' O ' ' CD2' ' B' ' 88' ' ' PHE . . . -64.88 -34.28 78.01 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 120.431 -0.508 . . . . 0.0 109.816 178.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 40.6 t -63.42 -54.5 35.7 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.354 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -55.79 -40.44 72.67 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 118.501 -1.28 . . . . 0.0 108.678 178.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . 0.661 ' O ' ' HB2' ' B' ' 91' ' ' GLU . 86.5 m-20 -59.64 -42.22 92.28 Favored 'General case' 0 C--O 1.203 -1.382 0 C-N-CA 120.201 -0.599 . . . . 0.0 110.575 178.743 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.529 ' O ' ' O ' ' B' ' 91' ' ' GLU . 75.5 m-85 -66.04 -36.14 82.45 Favored 'General case' 0 C--N 1.31 -1.109 0 C-N-CA 117.021 -1.872 . . . . 0.0 110.583 178.714 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -64.91 -61.87 1.91 Allowed 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 119.608 -0.837 . . . . 0.0 112.094 -178.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.516 ' CE3' ' OH ' ' A' ' 26' ' ' TYR . 19.7 t-105 -68.82 -43.0 76.45 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 121.606 0.717 . . . . 0.0 111.62 179.058 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.661 ' HB2' ' O ' ' B' ' 87' ' ' ASN . 67.6 mm-40 -98.54 148.8 23.4 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.604 -1.18 . . . . 0.0 111.401 -179.048 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 59.29 43.94 16.1 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.683 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 31.5 p . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 118.049 -0.977 . . . . 0.0 110.483 -179.932 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' HCS . . . . . 0.512 ' SD ' ' N ' ' A' ' 201' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 201' ' ' HCS . . . . . 0.517 ' N ' ' SD ' ' B' ' 201' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.522 ' O ' ' OE1' ' B' ' 40' ' ' GLU . . . . . . . . 0 CA--C 1.525 0.693 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.8 m -81.8 9.92 7.18 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.725 0.298 . . . . 0.0 110.573 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -59.99 -36.55 77.42 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -178.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.6 tt -60.71 -41.19 94.75 Favored 'General case' 0 C--O 1.239 0.54 0 C-N-CA 118.983 -1.087 . . . . 0.0 108.125 -178.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -65.29 -37.58 87.62 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.208 178.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.7 m -59.14 -40.83 86.73 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 179.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.03 -46.17 82.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.206 -0.907 . . . . 0.0 110.55 179.202 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 99.3 mtp -59.49 -41.52 90.03 Favored 'General case' 0 C--O 1.249 1.062 0 CA-C-O 121.809 0.814 . . . . 0.0 109.728 179.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.35 -35.3 80.55 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.116 177.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 47.7 m -64.24 -43.06 96.07 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 119.773 -0.771 . . . . 0.0 110.022 179.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 37.8 mt -61.67 -42.8 99.41 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 119.162 -1.015 . . . . 0.0 108.557 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.1 mt -61.28 -45.59 98.31 Favored 'Isoleucine or valine' 0 C--O 1.232 0.133 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.249 178.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -62.42 -41.6 98.81 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 -178.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.7 m -74.1 -40.88 51.93 Favored 'Isoleucine or valine' 0 C--O 1.257 1.459 0 C-N-CA 119.303 -0.959 . . . . 0.0 111.3 -179.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.429 ' CE2' ' CG ' ' A' ' 71' ' ' PHE . 82.3 t80 -59.93 -47.32 86.26 Favored 'General case' 0 CA--C 1.508 -0.67 0 C-N-CA 119.809 -0.756 . . . . 0.0 109.437 177.593 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -66.02 -33.76 76.53 Favored 'General case' 0 CA--C 1.504 -0.793 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.547 178.065 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.526 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . -58.86 -52.47 65.59 Favored 'General case' 0 N--CA 1.437 -1.103 0 C-N-CA 118.766 -1.174 . . . . 0.0 110.172 -178.462 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.459 ' ND1' ' HG ' ' A' ' 36' ' ' LEU . 43.8 m80 -78.74 -47.85 16.03 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 118.8 -1.16 . . . . 0.0 113.432 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.1 t -58.58 -43.5 89.48 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 119.906 -0.718 . . . . 0.0 110.915 -179.135 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -75.91 -43.98 20.73 Favored Glycine 0 CA--C 1.527 0.841 0 C-N-CA 120.975 -0.631 . . . . 0.0 111.641 179.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.526 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 6.9 ttpm? -59.04 -39.82 83.18 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 -179.198 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.492 ' OE2' ' OE1' ' A' ' 35' ' ' GLU . 97.1 mt-10 -121.73 147.37 46.0 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 -178.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 52.95 -142.07 27.88 Favored Glycine 0 C--N 1.334 0.436 0 CA-C-N 114.754 -1.112 . . . . 0.0 112.586 177.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -70.67 146.97 49.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 114.934 -0.633 . . . . 0.0 109.803 179.434 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -85.68 149.77 25.08 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 -179.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.431 ' CE2' ' CZ3' ' B' ' 90' ' ' TRP . 88.7 m-85 60.36 15.79 5.74 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 112.184 0.438 . . . . 0.0 112.184 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.3 tptt -135.79 137.63 41.8 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 106.443 -1.688 . . . . 0.0 106.443 176.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.457 ' C ' ' OE2' ' A' ' 68' ' ' GLU . 13.7 tp -114.46 129.65 56.67 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 120.239 -0.584 . . . . 0.0 111.474 -175.551 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.551 ' HG ' ' N ' ' A' ' 30' ' ' LYS . 41.0 t -105.53 159.13 16.18 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 122.484 0.313 . . . . 0.0 110.79 179.589 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.551 ' N ' ' HG ' ' A' ' 29' ' ' SER . 23.4 ttpt -52.94 -46.98 68.37 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-O 121.123 0.487 . . . . 0.0 111.786 -178.156 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.603 ' CG ' ' N ' ' A' ' 32' ' ' GLU . 54.0 pttt -59.88 -48.05 83.28 Favored 'General case' 0 N--CA 1.44 -0.926 0 C-N-CA 119.982 -0.687 . . . . 0.0 109.736 -178.508 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.603 ' N ' ' CG ' ' A' ' 31' ' ' LYS . 94.9 mt-10 -63.44 -48.3 78.31 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.231 -0.895 . . . . 0.0 112.318 -178.321 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 pp -62.75 -33.93 76.17 Favored 'General case' 0 CA--C 1.498 -1.028 0 C-N-CA 118.466 -1.294 . . . . 0.0 110.094 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.712 ' NZ ' HE22 ' A' ' 38' ' ' GLN . 0.9 OUTLIER -54.53 -36.75 64.59 Favored 'General case' 0 N--CA 1.434 -1.231 0 C-N-CA 117.785 -1.566 . . . . 0.0 107.497 178.13 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.492 ' OE1' ' OE2' ' A' ' 22' ' ' GLU . 97.2 mt-10 -75.48 -41.21 56.01 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 178.659 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.459 ' HG ' ' ND1' ' A' ' 18' ' ' HIS . 2.7 tt -65.42 -46.01 81.66 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 120.073 -0.651 . . . . 0.0 111.472 -177.117 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.577 ' O ' ' N ' ' A' ' 41' ' ' LEU . 1.1 mm? -65.05 -43.37 92.52 Favored 'General case' 0 CA--C 1.52 -0.196 0 C-N-CA 119.08 -1.048 . . . . 0.0 111.206 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.712 HE22 ' NZ ' ' A' ' 34' ' ' LYS . 95.7 mt-30 -64.25 -39.49 94.06 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.492 -0.483 . . . . 0.0 111.934 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.46 ' CG2' ' O ' ' A' ' 35' ' ' GLU . 64.6 p -71.1 -38.21 72.37 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.112 -0.635 . . . . 0.0 111.259 -179.725 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.52 ' OE1' ' O ' ' B' ' 1' ' ' GLY . 79.2 mm-40 -92.76 -52.36 4.66 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.577 ' N ' ' O ' ' A' ' 37' ' ' LEU . 29.1 mt -104.09 141.46 36.18 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 121.155 0.503 . . . . 0.0 111.242 -179.352 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.2 m -113.53 -67.63 0.98 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.493 178.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.87 -37.79 91.36 Favored Glycine 0 CA--C 1.532 1.097 0 CA-C-N 115.562 -0.745 . . . . 0.0 113.89 -178.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -60.18 -52.75 63.98 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 118.0 0.9 . . . . 0.0 112.171 -178.077 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -75.78 -41.12 53.91 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 120.343 -0.543 . . . . 0.0 111.344 178.251 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 57.0 t0 -60.87 -32.98 72.39 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.554 -0.748 . . . . 0.0 112.346 -179.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.1 -37.78 75.18 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -177.202 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -63.29 -33.87 76.44 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 119.742 -0.783 . . . . 0.0 109.318 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt 72.19 -40.21 0.47 Allowed 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.004 -0.998 . . . . 0.0 112.467 179.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -71.14 142.68 50.72 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.459 -0.497 . . . . 0.0 111.837 -179.155 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.2 m -71.48 -30.08 37.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 178.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -61.39 -26.48 67.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.582 -1.19 . . . . 0.0 109.779 178.28 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.27 -38.0 57.01 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.066 -0.97 . . . . 0.0 111.707 -177.141 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.514 ' CG1' ' N ' ' A' ' 55' ' ' ASP . 7.5 p -59.88 -43.94 93.19 Favored 'Isoleucine or valine' 0 C--O 1.238 0.467 0 C-N-CA 119.152 -1.019 . . . . 0.0 109.923 179.156 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.514 ' N ' ' CG1' ' A' ' 54' ' ' VAL . 88.8 m-20 -62.54 -43.4 98.91 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.025 179.195 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -60.99 -39.43 89.63 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.476 179.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 76.1 t -65.81 -45.15 92.33 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.381 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.787 -179.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.499 ' CE ' ' O ' ' A' ' 67' ' ' GLY . 0.3 OUTLIER -70.92 -34.73 71.81 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 -178.721 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.403 ' N ' ' HG3' ' A' ' 58' ' ' MET . 13.9 mtmt -60.14 -40.89 91.41 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 113.239 0.829 . . . . 0.0 113.239 -178.312 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -71.76 -36.71 70.49 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 119.686 -0.806 . . . . 0.0 110.683 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.402 ' O ' ' CD ' ' A' ' 73' ' ' GLU . 93.2 mt -67.7 -34.43 76.86 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-N 115.87 -0.604 . . . . 0.0 112.288 179.58 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.613 ' OD2' ' N ' ' A' ' 67' ' ' GLY . 50.7 t0 -75.53 93.02 2.95 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 118.69 -1.204 . . . . 0.0 111.265 -178.064 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 79.5 tt0 -63.71 -45.82 88.26 Favored 'General case' 0 CA--C 1.507 -0.676 0 CA-C-O 122.612 1.196 . . . . 0.0 111.23 177.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 30.9 m120 -59.2 -33.29 70.79 Favored 'General case' 0 C--N 1.299 -1.623 0 CA-C-N 112.476 -2.147 . . . . 0.0 112.452 -178.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.37 19.34 66.78 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 108.056 -2.018 . . . . 0.0 108.056 -176.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.589 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 48.5 p30 -86.66 5.6 35.19 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 114.203 -0.999 . . . . 0.0 112.405 -178.449 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.613 ' N ' ' OD2' ' A' ' 62' ' ' ASP . . . 64.15 -2.36 2.23 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.317 -1.113 . . . . 0.0 110.317 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.558 ' H ' ' C ' ' A' ' 66' ' ' ASP . 37.7 tp10 -114.69 140.5 48.8 Favored 'General case' 0 C--O 1.239 0.519 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 -179.676 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 48.1 t -102.26 132.67 47.8 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.475 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 -179.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.494 ' C ' ' OD1' ' A' ' 70' ' ' ASP . 28.7 p30 -101.55 172.12 7.16 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.896 -178.491 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.429 ' CG ' ' CE2' ' A' ' 15' ' ' PHE . 0.9 OUTLIER -54.36 -45.25 72.71 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.36 -0.837 . . . . 0.0 110.944 -178.504 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -61.58 -41.14 96.98 Favored 'General case' 0 C--O 1.245 0.864 0 O-C-N 121.505 -0.747 . . . . 0.0 111.846 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.402 ' CD ' ' O ' ' A' ' 61' ' ' LEU . 94.6 mt-10 -64.7 -41.99 95.61 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 122.174 0.987 . . . . 0.0 109.909 179.452 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.401 ' CZ ' HD13 ' A' ' 36' ' ' LEU . 68.2 t80 -63.55 -40.82 98.0 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-O 122.391 1.091 . . . . 0.0 110.211 178.188 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -60.2 -47.5 91.88 Favored 'Isoleucine or valine' 0 C--O 1.247 0.96 0 CA-C-N 113.848 -1.524 . . . . 0.0 109.882 -179.083 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 15.6 m -67.46 -34.42 68.48 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.546 0 C-N-CA 117.669 -1.612 . . . . 0.0 109.101 178.516 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 48.0 tp -55.76 -51.76 66.29 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 118.762 -1.175 . . . . 0.0 111.998 178.135 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.448 ' O ' ' OG1' ' A' ' 82' ' ' THR . 34.7 m -69.47 -35.53 67.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 118.607 -1.237 . . . . 0.0 111.815 -178.787 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.38 -48.12 65.57 Favored 'General case' 0 C--O 1.25 1.079 0 C-N-CA 118.933 -1.107 . . . . 0.0 111.759 -179.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.05 -39.86 95.99 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.0 179.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.9 mp -65.52 -34.53 78.48 Favored 'General case' 0 C--O 1.219 -0.514 0 C-N-CA 119.22 -0.992 . . . . 0.0 109.994 176.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.448 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 36.6 m -62.93 -50.43 70.86 Favored 'General case' 0 C--O 1.248 1.008 0 C-N-CA 119.576 -0.849 . . . . 0.0 111.248 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.4 p -63.89 -38.37 82.18 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 119.163 -1.015 . . . . 0.0 110.543 178.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.53 -30.33 71.06 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.972 178.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 12.6 t -69.12 -54.3 15.68 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.418 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -55.75 -40.93 73.24 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 118.439 -1.305 . . . . 0.0 108.425 178.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -59.97 -37.5 79.79 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.886 177.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.526 ' O ' ' O ' ' A' ' 91' ' ' GLU . 67.2 t80 -63.33 -46.85 84.75 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.059 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.42 ' O ' ' CB ' ' A' ' 93' ' ' SER . 67.7 t80 -65.65 -52.48 51.42 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.314 -0.554 . . . . 0.0 111.988 -179.325 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.496 ' CD1' ' C ' ' A' ' 90' ' ' TRP . 21.2 t-105 -63.35 -39.24 93.99 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 121.297 0.57 . . . . 0.0 112.296 179.773 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.554 ' OE1' ' N ' ' A' ' 92' ' ' ASN . 2.8 tm-20 -100.91 143.28 31.25 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.062 -177.236 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.554 ' N ' ' OE1' ' A' ' 91' ' ' GLU . 18.7 t-20 58.98 45.3 15.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.503 -179.283 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.42 ' CB ' ' O ' ' A' ' 89' ' ' PHE . 41.3 t . . . . . 0 C--O 1.221 -0.426 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.54 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . 0.52 ' O ' ' OE1' ' A' ' 40' ' ' GLU . . . . . . . . 0 CA--C 1.525 0.674 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 75.8 m -81.85 9.95 7.19 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.775 0.321 . . . . 0.0 110.605 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -59.83 -36.82 77.59 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -178.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 5.6 tt -60.47 -41.31 93.9 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 118.99 -1.084 . . . . 0.0 108.185 -178.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -65.24 -37.67 87.97 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.186 178.209 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 44.3 m -59.08 -40.64 85.88 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 179.204 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.24 -46.1 81.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.557 179.2 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 99.2 mtp -59.6 -41.54 90.54 Favored 'General case' 0 C--O 1.25 1.09 0 CA-C-O 121.692 0.758 . . . . 0.0 109.761 179.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.18 -36.15 83.31 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.32 -0.855 . . . . 0.0 109.987 177.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 45.9 m -63.42 -43.21 98.13 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 119.733 -0.787 . . . . 0.0 110.212 179.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 44.3 mt -61.67 -42.71 99.29 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 119.181 -1.007 . . . . 0.0 108.635 179.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.428 HG21 HD11 ' B' ' 12' ' ' ILE . 97.1 mt -61.29 -45.6 98.29 Favored 'Isoleucine or valine' 0 C--O 1.232 0.147 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.26 178.531 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -62.31 -41.65 98.71 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 -178.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 13.7 m -74.07 -40.91 52.13 Favored 'Isoleucine or valine' 0 C--O 1.256 1.401 0 C-N-CA 119.338 -0.945 . . . . 0.0 111.337 -179.305 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.425 ' CE2' ' CG ' ' B' ' 71' ' ' PHE . 82.6 t80 -59.88 -47.33 86.18 Favored 'General case' 0 CA--C 1.507 -0.678 0 C-N-CA 119.822 -0.751 . . . . 0.0 109.479 177.535 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -65.98 -33.83 76.71 Favored 'General case' 0 CA--C 1.504 -0.813 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.594 178.028 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.534 ' O ' ' CB ' ' B' ' 21' ' ' LYS . . . -58.86 -52.46 65.62 Favored 'General case' 0 N--CA 1.437 -1.104 0 C-N-CA 118.801 -1.159 . . . . 0.0 110.159 -178.489 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.463 ' ND1' ' HG ' ' B' ' 36' ' ' LEU . 43.7 m80 -78.64 -48.0 15.93 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 118.794 -1.162 . . . . 0.0 113.462 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 47.1 t -58.5 -43.62 89.13 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 119.944 -0.702 . . . . 0.0 110.888 -179.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -75.89 -43.96 20.9 Favored Glycine 0 CA--C 1.526 0.764 0 C-N-CA 120.953 -0.641 . . . . 0.0 111.648 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.534 ' CB ' ' O ' ' B' ' 17' ' ' ALA . 6.9 ttpm? -59.0 -39.83 83.01 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 -179.252 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.478 ' OE2' ' OE1' ' B' ' 35' ' ' GLU . 97.2 mt-10 -121.8 147.48 45.9 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 113.758 1.021 . . . . 0.0 113.758 -178.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 52.87 -142.09 27.46 Favored Glycine 0 C--N 1.335 0.486 0 CA-C-N 114.714 -1.13 . . . . 0.0 112.538 177.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -70.56 146.84 49.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 114.959 -0.621 . . . . 0.0 109.891 179.375 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 9.3 mtmp? -85.58 149.68 25.18 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 -179.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.427 ' CE2' ' CZ3' ' A' ' 90' ' ' TRP . 88.7 m-85 60.55 15.65 5.83 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 112.049 0.389 . . . . 0.0 112.049 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 33.0 tptt -135.74 137.78 42.03 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 106.512 -1.662 . . . . 0.0 106.512 176.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.473 ' C ' ' OE2' ' B' ' 68' ' ' GLU . 13.7 tp -114.57 129.64 56.69 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 120.224 -0.59 . . . . 0.0 111.455 -175.466 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.548 ' HG ' ' N ' ' B' ' 30' ' ' LYS . 41.7 t -105.5 159.06 16.23 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.765 179.614 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.548 ' N ' ' HG ' ' B' ' 29' ' ' SER . 23.4 ttpt -52.92 -46.87 68.26 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-O 121.23 0.538 . . . . 0.0 111.831 -178.178 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.594 ' CG ' ' N ' ' B' ' 32' ' ' GLU . 54.3 pttt -60.03 -48.13 82.99 Favored 'General case' 0 N--CA 1.44 -0.944 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.56 -178.413 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.594 ' N ' ' CG ' ' B' ' 31' ' ' LYS . 94.9 mt-10 -63.3 -48.35 78.48 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 115.278 -0.874 . . . . 0.0 112.323 -178.348 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 pp -62.83 -33.85 76.09 Favored 'General case' 0 CA--C 1.498 -1.048 0 C-N-CA 118.54 -1.264 . . . . 0.0 110.122 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.712 ' NZ ' HE22 ' B' ' 38' ' ' GLN . 0.9 OUTLIER -54.57 -36.64 64.59 Favored 'General case' 0 N--CA 1.435 -1.182 0 C-N-CA 117.714 -1.595 . . . . 0.0 107.533 178.028 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.478 ' OE1' ' OE2' ' B' ' 22' ' ' GLU . 97.2 mt-10 -75.55 -41.19 55.53 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 178.654 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.463 ' HG ' ' ND1' ' B' ' 18' ' ' HIS . 2.8 tt -65.45 -45.91 81.91 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 120.041 -0.664 . . . . 0.0 111.535 -177.16 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.576 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 1.1 mm? -65.06 -43.43 92.29 Favored 'General case' 0 CA--C 1.521 -0.168 0 C-N-CA 119.123 -1.031 . . . . 0.0 111.188 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.712 HE22 ' NZ ' ' B' ' 34' ' ' LYS . 95.7 mt-30 -64.19 -39.62 94.38 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.521 -0.472 . . . . 0.0 111.92 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.456 ' CG2' ' O ' ' B' ' 35' ' ' GLU . 65.4 p -70.96 -38.27 72.81 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.17 -0.612 . . . . 0.0 111.304 -179.723 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.522 ' OE1' ' O ' ' A' ' 1' ' ' GLY . 79.3 mm-40 -92.78 -52.3 4.68 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 112.327 0.491 . . . . 0.0 112.327 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.576 ' N ' ' O ' ' B' ' 37' ' ' LEU . 28.8 mt -104.11 141.44 36.23 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 121.176 0.512 . . . . 0.0 111.269 -179.371 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.2 m -113.55 -67.55 0.99 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.53 178.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.96 -37.69 91.68 Favored Glycine 0 CA--C 1.531 1.09 0 CA-C-N 115.567 -0.742 . . . . 0.0 113.825 -178.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -60.23 -52.78 63.85 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 118.092 0.946 . . . . 0.0 112.078 -178.025 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -75.76 -41.28 53.57 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 120.346 -0.541 . . . . 0.0 111.265 178.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -60.65 -33.13 72.34 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.562 -0.744 . . . . 0.0 112.367 -179.217 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.04 -37.82 75.08 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -177.174 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -63.27 -33.86 76.42 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 119.7 -0.8 . . . . 0.0 109.333 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt 72.17 -40.21 0.47 Allowed 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.048 -0.978 . . . . 0.0 112.473 179.342 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -71.14 142.66 50.73 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.43 -0.508 . . . . 0.0 111.795 -179.178 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 5.2 m -71.42 -30.03 37.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 178.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -61.44 -26.44 67.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.564 -1.198 . . . . 0.0 109.833 178.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.33 -37.92 57.23 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.987 -1.006 . . . . 0.0 111.689 -177.106 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.509 ' CG1' ' N ' ' B' ' 55' ' ' ASP . 7.7 p -59.99 -43.92 93.54 Favored 'Isoleucine or valine' 0 C--O 1.238 0.47 0 C-N-CA 119.094 -1.043 . . . . 0.0 109.904 179.186 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.509 ' N ' ' CG1' ' B' ' 54' ' ' VAL . 88.5 m-20 -62.45 -43.42 98.85 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.107 179.116 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -60.92 -39.54 89.79 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.409 179.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 76.2 t -65.74 -45.19 92.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.804 -179.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' MET . . . . . 0.503 ' CE ' ' O ' ' B' ' 67' ' ' GLY . 0.3 OUTLIER -70.84 -34.8 72.05 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 -178.763 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 13.9 mtmt -60.11 -40.9 91.28 Favored 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 113.261 0.837 . . . . 0.0 113.261 -178.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -71.73 -36.71 70.57 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 119.59 -0.844 . . . . 0.0 110.696 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 93.2 mt -67.72 -34.45 76.89 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.212 179.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.604 ' OD2' ' N ' ' B' ' 67' ' ' GLY . 50.7 t0 -75.46 93.11 2.92 Favored 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 118.714 -1.194 . . . . 0.0 111.244 -178.088 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 79.5 tt0 -63.91 -45.73 87.98 Favored 'General case' 0 CA--C 1.508 -0.642 0 CA-C-O 122.604 1.193 . . . . 0.0 111.165 177.063 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -59.12 -33.36 70.78 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-N 112.549 -2.114 . . . . 0.0 112.536 -178.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.42 19.29 66.77 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 108.025 -2.03 . . . . 0.0 108.025 -177.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.589 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 48.7 p30 -86.63 5.57 35.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 114.258 -0.971 . . . . 0.0 112.471 -178.472 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.604 ' N ' ' OD2' ' B' ' 62' ' ' ASP . . . 64.23 -2.41 2.26 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.271 -1.132 . . . . 0.0 110.271 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.545 ' H ' ' C ' ' B' ' 66' ' ' ASP . 37.1 tp10 -114.73 140.59 48.75 Favored 'General case' 0 C--O 1.24 0.604 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 -179.637 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 48.3 t -102.34 132.72 47.8 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.405 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 -179.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.495 ' C ' ' OD1' ' B' ' 70' ' ' ASP . 29.4 p30 -101.43 172.19 7.13 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 120.327 -0.549 . . . . 0.0 110.98 -178.55 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.425 ' CG ' ' CE2' ' B' ' 15' ' ' PHE . 0.9 OUTLIER -54.37 -45.36 72.79 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.795 -178.502 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -61.53 -41.31 97.13 Favored 'General case' 0 C--O 1.244 0.804 0 C-N-CA 119.952 -0.699 . . . . 0.0 111.78 -179.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -64.62 -41.99 95.81 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-O 122.202 1.001 . . . . 0.0 109.97 179.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -63.46 -40.89 98.32 Favored 'General case' 0 C--O 1.241 0.644 0 CA-C-N 114.804 -1.089 . . . . 0.0 110.197 178.128 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -60.24 -47.49 91.98 Favored 'Isoleucine or valine' 0 C--O 1.248 1.005 0 CA-C-N 113.931 -1.486 . . . . 0.0 109.831 -178.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 15.5 m -67.34 -34.51 69.37 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.531 0 C-N-CA 117.735 -1.586 . . . . 0.0 109.12 178.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 47.9 tp -55.66 -51.82 65.94 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 118.785 -1.166 . . . . 0.0 112.049 178.124 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.446 ' O ' ' OG1' ' B' ' 82' ' ' THR . 34.7 m -69.49 -35.49 66.89 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.263 0 C-N-CA 118.552 -1.259 . . . . 0.0 111.796 -178.782 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.44 -48.13 65.37 Favored 'General case' 0 C--O 1.249 1.061 0 C-N-CA 118.923 -1.111 . . . . 0.0 111.714 -179.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.9 -39.93 96.0 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.036 179.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 5.8 mp -65.58 -34.56 78.52 Favored 'General case' 0 C--O 1.22 -0.45 0 C-N-CA 119.244 -0.982 . . . . 0.0 109.903 176.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.446 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 36.8 m -62.89 -50.45 70.83 Favored 'General case' 0 C--O 1.247 0.948 0 C-N-CA 119.578 -0.849 . . . . 0.0 111.163 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 13.5 p -63.88 -38.34 82.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 C-N-CA 119.121 -1.031 . . . . 0.0 110.522 178.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.49 -30.37 71.14 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 121.135 0.493 . . . . 0.0 110.06 178.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 12.4 t -69.07 -54.25 16.08 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.429 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -55.87 -40.98 73.7 Favored 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 118.396 -1.322 . . . . 0.0 108.378 178.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -59.88 -37.42 79.33 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.962 177.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.529 ' O ' ' O ' ' B' ' 91' ' ' GLU . 67.3 t80 -63.33 -46.97 84.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . 0.418 ' O ' ' CB ' ' B' ' 93' ' ' SER . 68.1 t80 -65.7 -52.4 51.68 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 120.266 -0.574 . . . . 0.0 111.949 -179.186 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.495 ' CD1' ' C ' ' B' ' 90' ' ' TRP . 21.1 t-105 -63.35 -39.3 94.16 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.277 0.56 . . . . 0.0 112.301 179.766 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.547 ' OE1' ' N ' ' B' ' 92' ' ' ASN . 2.9 tm-20 -100.82 143.24 31.21 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.124 -177.289 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . 0.547 ' N ' ' OE1' ' B' ' 91' ' ' GLU . 18.8 t-20 59.0 45.35 15.01 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.458 -179.286 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 93' ' ' SER . . . . . 0.418 ' CB ' ' O ' ' B' ' 89' ' ' PHE . 41.3 t . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.525 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 201' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.701 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.8 p -124.14 154.96 39.28 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -61.94 -38.43 88.44 Favored 'General case' 0 C--O 1.24 0.579 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 -178.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.7 tt -61.74 -41.65 97.93 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 118.982 -1.087 . . . . 0.0 108.408 -178.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -65.14 -37.69 88.23 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.523 178.061 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.7 m -59.59 -42.21 92.05 Favored 'General case' 0 C--O 1.239 0.511 0 C-N-CA 119.837 -0.745 . . . . 0.0 109.356 179.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.85 -45.09 91.07 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.114 179.123 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 99.4 mtp -60.18 -40.83 91.37 Favored 'General case' 0 C--O 1.245 0.868 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.362 179.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.56 -36.58 84.69 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 120.174 -0.611 . . . . 0.0 109.513 177.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 58.6 m -63.86 -42.03 97.64 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 119.529 -0.869 . . . . 0.0 110.036 178.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 37.2 mt -59.12 -43.21 91.95 Favored 'General case' 0 C--O 1.241 0.634 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 98.4 mt -62.09 -45.16 99.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 114.726 -1.124 . . . . 0.0 111.893 178.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -61.16 -41.24 96.42 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -178.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.1 m -72.91 -37.76 54.98 Favored 'Isoleucine or valine' 0 C--O 1.255 1.348 0 C-N-CA 118.915 -1.114 . . . . 0.0 110.135 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.539 ' HA ' ' NE2' ' A' ' 18' ' ' HIS . 86.4 t80 -59.77 -42.56 93.6 Favored 'General case' 0 C--O 1.241 0.623 0 C-N-CA 119.206 -0.997 . . . . 0.0 109.926 177.357 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -67.85 -35.26 78.24 Favored 'General case' 0 N--CA 1.437 -1.108 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.82 177.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.543 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . -59.29 -50.59 73.39 Favored 'General case' 0 N--CA 1.437 -1.099 0 C-N-CA 118.929 -1.108 . . . . 0.0 111.235 -178.325 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.629 ' CD2' ' H ' ' A' ' 19' ' ' SER . 0.5 OUTLIER -81.31 -48.99 11.26 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 117.218 -1.793 . . . . 0.0 113.767 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.629 ' H ' ' CD2' ' A' ' 18' ' ' HIS . 23.2 t -60.92 -40.23 92.39 Favored 'General case' 0 C--N 1.351 0.636 0 C-N-CA 118.458 -1.297 . . . . 0.0 109.829 -179.479 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -73.54 -44.93 31.16 Favored Glycine 0 C--N 1.343 0.956 0 CA-C-N 115.777 -0.647 . . . . 0.0 112.449 179.061 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.543 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 5.8 ttpm? -58.8 -43.34 90.53 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.124 -0.63 . . . . 0.0 111.291 -179.579 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.505 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 97.0 mt-10 -132.78 145.4 50.97 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 120.563 -0.455 . . . . 0.0 111.303 178.339 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.66 -162.98 54.38 Favored Glycine 0 CA--C 1.521 0.464 0 N-CA-C 111.384 -0.686 . . . . 0.0 111.384 178.006 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.406 ' O ' ' OG ' ' A' ' 19' ' ' SER . 88.5 m-20 -68.88 143.66 54.45 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 178.215 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.439 ' O ' ' OG ' ' A' ' 19' ' ' SER . 25.5 mtmm -60.05 -32.14 70.64 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 -177.645 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.601 ' OH ' ' CE3' ' B' ' 90' ' ' TRP . 98.3 m-85 -107.29 19.69 19.99 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 113.342 0.868 . . . . 0.0 113.342 -178.065 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.439 ' HZ1' ' HG2' ' A' ' 68' ' ' GLU . 16.7 tptm -139.65 140.36 36.9 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 119.103 -1.039 . . . . 0.0 109.23 179.509 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.501 HD12 ' ND1' ' A' ' 18' ' ' HIS . 17.8 tp -117.65 130.7 56.53 Favored 'General case' 0 CA--C 1.528 0.112 0 C-N-CA 120.555 -0.458 . . . . 0.0 111.984 -177.074 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.463 ' CA ' ' OE2' ' A' ' 68' ' ' GLU . 80.9 p -105.07 166.08 10.64 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 179.314 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.4 ttpm? -52.98 -47.0 68.51 Favored 'General case' 0 C--O 1.241 0.634 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 -177.077 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.56 ' CG ' ' N ' ' A' ' 32' ' ' GLU . 51.2 pttt -59.5 -46.51 88.62 Favored 'General case' 0 N--CA 1.439 -1.0 0 C-N-CA 119.729 -0.788 . . . . 0.0 109.885 -178.501 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.56 ' N ' ' CG ' ' A' ' 31' ' ' LYS . 93.0 mt-10 -61.3 -51.29 69.5 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 119.845 -0.742 . . . . 0.0 111.798 -177.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.07 -37.27 76.68 Favored 'General case' 0 CA--C 1.507 -0.679 0 C-N-CA 116.954 -1.898 . . . . 0.0 109.363 178.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.0 tptm -54.13 -36.36 63.19 Favored 'General case' 0 N--CA 1.439 -1.004 0 C-N-CA 118.152 -1.419 . . . . 0.0 108.197 -179.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.455 ' O ' ' CG2' ' A' ' 39' ' ' THR . 76.9 mm-40 -73.8 -43.37 59.07 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 120.114 -0.634 . . . . 0.0 112.523 178.784 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.512 HD11 ' CE1' ' A' ' 18' ' ' HIS . 5.9 tt -67.03 -46.68 73.7 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 118.48 -1.288 . . . . 0.0 111.977 -177.349 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.55 ' O ' ' O ' ' A' ' 41' ' ' LEU . 2.9 mm? -59.35 -43.38 92.79 Favored 'General case' 0 CA--C 1.514 -0.418 0 C-N-CA 118.463 -1.295 . . . . 0.0 110.368 -178.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -64.13 -38.98 93.01 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.244 -0.582 . . . . 0.0 111.604 178.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.455 ' CG2' ' O ' ' A' ' 35' ' ' GLU . 61.9 p -71.54 -34.43 70.02 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 -179.091 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -101.01 -57.66 2.05 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 112.654 0.612 . . . . 0.0 112.654 -179.121 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.55 ' O ' ' O ' ' A' ' 37' ' ' LEU . 30.5 mt -96.68 143.29 27.77 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.183 0.516 . . . . 0.0 111.09 -178.325 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.53 ' OG ' ' N ' ' A' ' 43' ' ' GLY . 90.6 p -111.57 -76.72 0.59 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.773 179.371 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.53 ' N ' ' OG ' ' A' ' 42' ' ' SER . . . -57.15 -36.03 72.89 Favored Glycine 0 CA--C 1.532 1.094 0 CA-C-N 115.663 -0.699 . . . . 0.0 114.021 -178.613 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -60.49 -57.78 11.27 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 118.196 0.998 . . . . 0.0 112.543 -177.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.88 -40.59 65.47 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-O 121.703 0.763 . . . . 0.0 110.037 -179.794 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.433 ' CB ' ' O ' ' A' ' 42' ' ' SER . 59.5 t0 -62.5 -29.94 70.91 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 114.549 -1.205 . . . . 0.0 113.069 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.69 -34.13 61.87 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -176.116 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 91.6 mm-40 -62.31 -36.33 81.82 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 119.532 -0.867 . . . . 0.0 109.199 179.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.536 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 98.2 mttt 61.37 36.3 17.53 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.172 -0.922 . . . . 0.0 112.92 178.776 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.536 ' OD1' ' O ' ' A' ' 49' ' ' LYS . 92.3 m-20 -144.66 149.02 34.96 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 120.974 -0.291 . . . . 0.0 110.561 178.167 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.8 m -72.84 -32.65 41.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 N-CA-C 108.955 -0.758 . . . . 0.0 108.955 178.151 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -62.01 -30.04 70.68 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 114.832 -1.076 . . . . 0.0 110.529 178.39 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.42 -37.24 62.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.194 -0.912 . . . . 0.0 112.298 -176.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.465 ' CG1' ' N ' ' A' ' 55' ' ' ASP . 9.0 p -61.24 -43.59 96.77 Favored 'Isoleucine or valine' 0 C--O 1.24 0.598 0 C-N-CA 118.678 -1.209 . . . . 0.0 109.999 179.154 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.465 ' N ' ' CG1' ' A' ' 54' ' ' VAL . 92.5 m-20 -61.92 -43.47 98.78 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.06 179.055 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 55.7 mttm -62.25 -39.25 92.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.378 179.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.6 t -65.32 -44.19 94.87 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.475 0 CA-C-N 115.504 -0.771 . . . . 0.0 112.644 -178.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.428 ' CE ' ' O ' ' A' ' 67' ' ' GLY . 0.0 OUTLIER -66.27 -32.68 74.24 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 119.262 -0.975 . . . . 0.0 113.545 -179.011 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 36.2 mmtt -60.1 -41.35 92.37 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 -178.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -72.36 -35.43 68.51 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 119.417 -0.913 . . . . 0.0 110.572 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 79.3 mt -67.33 -34.84 78.19 Favored 'General case' 0 CA--C 1.509 -0.612 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.456 179.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.538 ' OD2' ' N ' ' A' ' 66' ' ' ASP . 41.2 t0 -71.61 78.15 0.82 Allowed 'General case' 0 N--CA 1.443 -0.789 0 C-N-CA 118.954 -1.098 . . . . 0.0 110.841 -178.235 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -64.09 -38.21 90.25 Favored 'General case' 0 CA--C 1.501 -0.916 0 CA-C-O 123.156 1.455 . . . . 0.0 107.399 176.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.473 ' OD1' ' CG ' ' A' ' 66' ' ' ASP . 17.3 t-20 -58.39 -39.4 79.55 Favored 'General case' 0 N--CA 1.432 -1.336 0 CA-C-N 111.568 -2.56 . . . . 0.0 112.122 178.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.485 ' C ' ' OD2' ' A' ' 62' ' ' ASP . . . 87.33 12.99 66.54 Favored Glycine 0 CA--C 1.533 1.188 0 C-N-CA 121.136 -0.554 . . . . 0.0 112.753 178.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.538 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 55.0 p30 -91.18 5.47 48.92 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 -179.689 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.428 ' O ' ' CE ' ' A' ' 58' ' ' MET . . . 71.22 1.95 45.15 Favored Glycine 0 N--CA 1.466 0.686 0 N-CA-C 110.092 -1.203 . . . . 0.0 110.092 179.628 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.478 ' OE2' ' C ' ' A' ' 28' ' ' LEU . 44.2 tp10 -117.33 144.24 45.11 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 -179.687 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.4 ' HA ' ' OE1' ' A' ' 73' ' ' GLU . 59.7 t -99.65 132.5 45.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 C-N-CA 120.691 -0.404 . . . . 0.0 109.991 -178.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.504 ' C ' ' OD1' ' A' ' 70' ' ' ASP . 16.8 p30 -104.75 171.65 7.21 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 119.938 -0.705 . . . . 0.0 110.075 -179.339 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -53.84 -45.0 70.77 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.368 -178.634 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -61.34 -40.28 93.65 Favored 'General case' 0 C--O 1.243 0.762 0 C-N-CA 120.034 -0.666 . . . . 0.0 111.545 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.4 ' OE1' ' HA ' ' A' ' 69' ' ' VAL . 79.3 mt-10 -64.62 -42.49 95.46 Favored 'General case' 0 C--O 1.243 0.734 0 CA-C-O 122.105 0.955 . . . . 0.0 109.887 179.744 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -63.42 -41.23 98.69 Favored 'General case' 0 C--O 1.245 0.862 0 CA-C-O 122.413 1.101 . . . . 0.0 110.448 177.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -59.51 -47.91 89.17 Favored 'Isoleucine or valine' 0 C--O 1.251 1.162 0 CA-C-N 113.802 -1.545 . . . . 0.0 109.77 -179.11 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 15.3 m -67.48 -34.46 68.63 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.604 0 C-N-CA 117.856 -1.538 . . . . 0.0 109.245 178.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 35.3 tp -55.36 -51.94 65.13 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 118.593 -1.243 . . . . 0.0 111.605 178.06 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.403 ' O ' ' OG1' ' A' ' 82' ' ' THR . 34.9 m -68.55 -36.12 73.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 C-N-CA 118.151 -1.419 . . . . 0.0 111.692 -178.81 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.78 -48.57 65.96 Favored 'General case' 0 C--O 1.251 1.171 0 C-N-CA 118.816 -1.154 . . . . 0.0 112.043 -179.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.405 ' O ' HG12 ' A' ' 83' ' ' VAL . . . -63.14 -39.9 96.03 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.153 179.667 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 9.4 mp -64.66 -34.85 79.25 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 119.139 -1.024 . . . . 0.0 109.832 176.642 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.403 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 52.3 m -63.0 -50.06 72.2 Favored 'General case' 0 C--O 1.246 0.891 0 C-N-CA 119.752 -0.779 . . . . 0.0 111.633 179.463 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.405 HG12 ' O ' ' A' ' 80' ' ' ALA . 14.5 p -63.21 -38.73 82.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 118.894 -1.122 . . . . 0.0 110.321 178.564 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.87 -30.97 71.99 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 121.188 0.518 . . . . 0.0 109.859 178.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 36.0 t -67.8 -54.81 16.2 Favored 'General case' 0 CA--C 1.509 -0.601 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.734 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -56.75 -42.83 79.99 Favored 'General case' 0 C--O 1.24 0.575 0 C-N-CA 118.669 -1.212 . . . . 0.0 109.508 179.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -59.93 -38.18 81.63 Favored 'General case' 0 C--O 1.22 -0.465 0 C-N-CA 119.955 -0.698 . . . . 0.0 109.338 178.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.523 ' O ' ' O ' ' A' ' 91' ' ' GLU . 67.1 t80 -62.29 -45.61 92.5 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.184 -179.64 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -66.41 -54.88 19.23 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.389 -0.525 . . . . 0.0 112.149 -179.048 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.615 ' CE3' ' OH ' ' B' ' 26' ' ' TYR . 25.2 t-105 -64.87 -40.46 95.16 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.191 0.52 . . . . 0.0 112.355 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.585 ' OE1' ' N ' ' A' ' 92' ' ' ASN . 1.5 tm-20 -97.05 143.38 27.94 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.567 -178.098 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.585 ' N ' ' OE1' ' A' ' 91' ' ' GLU . 49.6 t-20 -55.15 -36.96 66.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.246 -179.259 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 17.5 t . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 117.946 -1.026 . . . . 0.0 110.477 -179.892 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.666 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 87.5 p -124.13 155.07 39.08 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -61.99 -38.41 88.5 Favored 'General case' 0 C--O 1.24 0.59 0 N-CA-C 112.862 0.69 . . . . 0.0 112.862 -178.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 1.7 tt -61.79 -41.53 97.85 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 118.96 -1.096 . . . . 0.0 108.461 -178.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -65.17 -37.74 88.34 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.555 178.015 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 46.1 m -59.63 -42.1 91.93 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 119.84 -0.744 . . . . 0.0 109.289 179.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.0 -44.98 90.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.116 179.195 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 99.3 mtp -60.22 -40.7 91.07 Favored 'General case' 0 C--O 1.246 0.895 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.446 179.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.6 -37.3 87.1 Favored 'General case' 0 CA--C 1.51 -0.581 0 C-N-CA 120.026 -0.67 . . . . 0.0 109.417 177.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 56.8 m -62.98 -42.3 99.8 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 119.634 -0.826 . . . . 0.0 110.224 178.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 42.4 mt -59.22 -43.03 92.32 Favored 'General case' 0 C--O 1.241 0.643 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 98.3 mt -62.14 -45.06 99.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 114.758 -1.11 . . . . 0.0 111.892 178.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -61.27 -41.19 96.52 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -178.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 17.3 m -72.92 -37.79 54.94 Favored 'Isoleucine or valine' 0 C--O 1.254 1.331 0 C-N-CA 118.928 -1.109 . . . . 0.0 110.136 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.538 ' HA ' ' NE2' ' B' ' 18' ' ' HIS . 86.5 t80 -59.78 -42.54 93.55 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-O 122.235 1.017 . . . . 0.0 109.906 177.368 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -67.91 -35.18 78.01 Favored 'General case' 0 N--CA 1.437 -1.113 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.806 177.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.545 ' O ' ' CB ' ' B' ' 21' ' ' LYS . . . -59.38 -50.62 73.24 Favored 'General case' 0 N--CA 1.438 -1.07 0 C-N-CA 118.987 -1.085 . . . . 0.0 111.204 -178.342 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.627 ' CD2' ' H ' ' B' ' 19' ' ' SER . 0.5 OUTLIER -81.28 -49.01 11.26 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 117.245 -1.782 . . . . 0.0 113.718 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.627 ' H ' ' CD2' ' B' ' 18' ' ' HIS . 23.3 t -60.95 -40.29 92.74 Favored 'General case' 0 C--N 1.352 0.701 0 C-N-CA 118.439 -1.305 . . . . 0.0 109.805 -179.438 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -73.44 -44.81 32.2 Favored Glycine 0 C--N 1.343 0.942 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.516 179.039 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.545 ' CB ' ' O ' ' B' ' 17' ' ' ALA . 5.8 ttpm? -58.86 -43.36 90.81 Favored 'General case' 0 N--CA 1.463 0.184 0 C-N-CA 120.032 -0.667 . . . . 0.0 111.255 -179.613 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.512 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 97.0 mt-10 -132.72 145.48 51.07 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 120.538 -0.465 . . . . 0.0 111.256 178.406 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.7 -163.01 54.39 Favored Glycine 0 CA--C 1.521 0.468 0 N-CA-C 111.405 -0.678 . . . . 0.0 111.405 177.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.403 ' O ' ' OG ' ' B' ' 19' ' ' SER . 88.2 m-20 -68.88 143.48 54.5 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 178.124 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.439 ' O ' ' OG ' ' B' ' 19' ' ' SER . 25.6 mtmm -60.0 -32.17 70.61 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -177.559 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.615 ' OH ' ' CE3' ' A' ' 90' ' ' TRP . 98.4 m-85 -107.21 19.66 20.05 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 -178.089 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.437 ' HZ1' ' HG2' ' B' ' 68' ' ' GLU . 16.3 tptm -139.65 140.48 36.94 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 119.034 -1.066 . . . . 0.0 109.254 179.444 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.494 HD12 ' ND1' ' B' ' 18' ' ' HIS . 17.8 tp -117.69 130.74 56.53 Favored 'General case' 0 C--N 1.333 -0.123 0 C-N-CA 120.544 -0.463 . . . . 0.0 112.009 -177.126 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.471 ' CA ' ' OE2' ' B' ' 68' ' ' GLU . 82.3 p -105.0 166.02 10.67 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 179.289 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 6.4 ttpm? -52.87 -47.08 68.07 Favored 'General case' 0 C--O 1.24 0.566 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -177.182 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.551 ' CG ' ' N ' ' B' ' 32' ' ' GLU . 51.2 pttt -59.61 -46.51 88.76 Favored 'General case' 0 N--CA 1.44 -0.971 0 C-N-CA 119.651 -0.82 . . . . 0.0 109.767 -178.438 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.551 ' N ' ' CG ' ' B' ' 31' ' ' LYS . 93.0 mt-10 -61.22 -51.32 69.47 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 119.82 -0.752 . . . . 0.0 111.81 -177.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.07 -37.31 76.78 Favored 'General case' 0 CA--C 1.508 -0.637 0 C-N-CA 117.079 -1.848 . . . . 0.0 109.316 179.022 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 12.0 tptm -54.11 -36.33 63.12 Favored 'General case' 0 N--CA 1.439 -1.023 0 C-N-CA 118.164 -1.415 . . . . 0.0 108.219 -179.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.453 ' O ' ' CG2' ' B' ' 39' ' ' THR . 76.8 mm-40 -73.86 -43.48 58.47 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 120.087 -0.645 . . . . 0.0 112.437 178.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.521 HD11 ' CE1' ' B' ' 18' ' ' HIS . 5.8 tt -66.83 -46.74 74.2 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 118.548 -1.261 . . . . 0.0 112.03 -177.392 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.557 ' O ' ' O ' ' B' ' 41' ' ' LEU . 2.9 mm? -59.38 -43.32 92.92 Favored 'General case' 0 CA--C 1.516 -0.357 0 C-N-CA 118.49 -1.284 . . . . 0.0 110.366 -178.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -64.21 -38.97 92.97 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.262 -0.575 . . . . 0.0 111.575 178.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.453 ' CG2' ' O ' ' B' ' 35' ' ' GLU . 61.9 p -71.57 -34.35 69.86 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 -179.098 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -101.01 -57.81 2.02 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 -179.11 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.557 ' O ' ' O ' ' B' ' 37' ' ' LEU . 30.4 mt -96.66 143.33 27.72 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.24 0.543 . . . . 0.0 111.126 -178.305 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.524 ' OG ' ' N ' ' B' ' 43' ' ' GLY . 91.6 p -111.55 -76.77 0.59 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.757 179.43 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . 0.524 ' N ' ' OG ' ' B' ' 42' ' ' SER . . . -57.1 -36.06 72.67 Favored Glycine 0 CA--C 1.532 1.143 0 CA-C-N 115.588 -0.733 . . . . 0.0 113.96 -178.593 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -60.47 -57.72 11.52 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 118.209 1.004 . . . . 0.0 112.592 -177.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.95 -40.58 65.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.732 0.777 . . . . 0.0 109.978 -179.796 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.444 ' CB ' ' O ' ' B' ' 42' ' ' SER . 59.6 t0 -62.59 -29.95 70.97 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 114.575 -1.193 . . . . 0.0 113.058 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.6 -34.18 61.59 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -176.215 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 91.6 mm-40 -62.26 -36.37 81.86 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 119.528 -0.869 . . . . 0.0 109.233 179.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.557 ' O ' ' OD1' ' B' ' 50' ' ' ASP . 98.2 mttt 61.46 36.3 17.24 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.127 -0.942 . . . . 0.0 112.862 178.74 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . 0.557 ' OD1' ' O ' ' B' ' 49' ' ' LYS . 92.2 m-20 -144.67 148.99 34.9 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 120.931 -0.307 . . . . 0.0 110.605 178.179 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 7.1 m -72.82 -32.72 41.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 178.221 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -62.04 -29.96 70.64 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 114.921 -1.036 . . . . 0.0 110.491 178.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.42 -37.27 62.37 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.19 -0.914 . . . . 0.0 112.302 -176.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.463 ' CG1' ' N ' ' B' ' 55' ' ' ASP . 9.2 p -61.24 -43.64 96.86 Favored 'Isoleucine or valine' 0 C--O 1.241 0.65 0 C-N-CA 118.755 -1.178 . . . . 0.0 109.881 179.254 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.463 ' N ' ' CG1' ' B' ' 54' ' ' VAL . 92.2 m-20 -61.87 -43.61 98.5 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.06 179.049 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 55.8 mttm -62.04 -39.31 91.9 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.444 179.15 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 62.1 t -65.3 -44.31 94.9 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.427 0 CA-C-N 115.435 -0.802 . . . . 0.0 112.589 -178.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' MET . . . . . 0.427 ' CE ' ' O ' ' B' ' 67' ' ' GLY . 0.0 OUTLIER -66.14 -32.76 74.39 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 119.291 -0.964 . . . . 0.0 113.546 -179.001 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 36.1 mmtt -60.13 -41.34 92.46 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 113.129 0.789 . . . . 0.0 113.129 -178.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -72.33 -35.42 68.57 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 119.435 -0.906 . . . . 0.0 110.556 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 79.3 mt -67.38 -34.74 77.9 Favored 'General case' 0 CA--C 1.509 -0.612 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.504 179.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.541 ' OD2' ' N ' ' B' ' 66' ' ' ASP . 41.2 t0 -71.73 78.22 0.85 Allowed 'General case' 0 N--CA 1.442 -0.85 0 C-N-CA 118.91 -1.116 . . . . 0.0 110.787 -178.187 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -64.06 -38.19 90.17 Favored 'General case' 0 CA--C 1.5 -0.946 0 CA-C-O 123.13 1.443 . . . . 0.0 107.386 176.202 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.476 ' OD1' ' OD2' ' B' ' 66' ' ' ASP . 17.3 t-20 -58.51 -39.37 79.91 Favored 'General case' 0 C--N 1.305 -1.347 0 CA-C-N 111.575 -2.557 . . . . 0.0 112.141 179.057 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.485 ' C ' ' OD2' ' B' ' 62' ' ' ASP . . . 87.42 12.95 66.4 Favored Glycine 0 CA--C 1.533 1.186 0 C-N-CA 121.176 -0.535 . . . . 0.0 112.711 178.726 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.541 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 54.8 p30 -91.09 5.41 49.06 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -179.614 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.427 ' O ' ' CE ' ' B' ' 58' ' ' MET . . . 71.13 1.97 44.72 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.138 -1.185 . . . . 0.0 110.138 179.735 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.471 ' OE2' ' CA ' ' B' ' 29' ' ' SER . 43.8 tp10 -117.39 144.33 45.07 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 -179.647 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.402 ' HA ' ' OE1' ' B' ' 73' ' ' GLU . 59.9 t -99.77 132.63 44.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 C-N-CA 120.645 -0.422 . . . . 0.0 109.983 -178.732 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.511 ' C ' ' OD1' ' B' ' 70' ' ' ASP . 17.4 p30 -104.71 171.56 7.26 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 120.026 -0.67 . . . . 0.0 110.094 -179.33 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -53.87 -45.0 70.89 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.318 -178.666 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -61.35 -40.21 93.46 Favored 'General case' 0 C--O 1.244 0.783 0 C-N-CA 120.009 -0.677 . . . . 0.0 111.637 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.402 ' OE1' ' HA ' ' B' ' 69' ' ' VAL . 79.3 mt-10 -64.59 -42.48 95.57 Favored 'General case' 0 C--O 1.242 0.661 0 CA-C-O 122.11 0.957 . . . . 0.0 109.908 179.665 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -63.42 -41.31 98.69 Favored 'General case' 0 C--O 1.244 0.785 0 CA-C-O 122.462 1.125 . . . . 0.0 110.446 177.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -59.53 -47.81 89.56 Favored 'Isoleucine or valine' 0 C--O 1.252 1.189 0 CA-C-N 113.725 -1.58 . . . . 0.0 109.74 -179.042 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 15.3 m -67.6 -34.35 67.63 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.588 0 C-N-CA 117.792 -1.563 . . . . 0.0 109.277 178.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 34.9 tp -55.38 -51.93 65.22 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 118.576 -1.25 . . . . 0.0 111.619 178.046 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 34.8 m -68.5 -36.15 73.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 C-N-CA 118.168 -1.413 . . . . 0.0 111.733 -178.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.79 -48.52 66.06 Favored 'General case' 0 C--O 1.252 1.207 0 C-N-CA 118.883 -1.127 . . . . 0.0 112.052 -179.313 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . 0.405 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -63.21 -39.89 95.93 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 179.683 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 9.3 mp -64.58 -34.95 79.44 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 119.091 -1.044 . . . . 0.0 109.796 176.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 52.9 m -62.95 -50.02 72.44 Favored 'General case' 0 C--O 1.246 0.889 0 C-N-CA 119.776 -0.77 . . . . 0.0 111.592 179.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.405 HG12 ' O ' ' B' ' 80' ' ' ALA . 14.5 p -63.21 -38.74 82.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 118.927 -1.109 . . . . 0.0 110.296 178.561 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.99 -30.84 71.86 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-O 121.198 0.523 . . . . 0.0 109.865 178.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 36.1 t -67.85 -54.8 16.16 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.707 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -56.65 -42.93 79.77 Favored 'General case' 0 C--O 1.238 0.494 0 C-N-CA 118.669 -1.212 . . . . 0.0 109.611 179.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -59.92 -38.22 81.73 Favored 'General case' 0 C--O 1.22 -0.451 0 C-N-CA 119.929 -0.708 . . . . 0.0 109.302 178.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.524 ' O ' ' O ' ' B' ' 91' ' ' GLU . 67.3 t80 -62.26 -45.65 92.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.101 -179.613 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -66.41 -54.89 19.15 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 120.39 -0.524 . . . . 0.0 112.125 -178.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.601 ' CE3' ' OH ' ' A' ' 26' ' ' TYR . 25.2 t-105 -64.8 -40.54 95.4 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.159 0.504 . . . . 0.0 112.308 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.582 ' OE1' ' N ' ' B' ' 92' ' ' ASN . 1.5 tm-20 -96.99 143.3 27.98 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.674 -178.065 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . 0.582 ' N ' ' OE1' ' B' ' 91' ' ' GLU . 49.6 t-20 -55.1 -36.9 66.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.293 -179.226 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 17.7 t . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 118.051 -0.976 . . . . 0.0 110.523 -179.858 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 201' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 . . . . . 0 C--O 1.238 0.45 0 N-CA-C 111.729 0.27 . . . . 0.0 111.729 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.478 ' O ' HD23 ' A' ' 4' ' ' LEU . 5.7 tt -61.05 -41.26 96.27 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 -179.118 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -65.06 -37.59 88.05 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.144 178.44 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 43.9 m -59.31 -40.96 87.89 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 179.048 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.3 -45.94 85.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.357 179.123 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 99.1 mtp -59.85 -41.11 90.72 Favored 'General case' 0 C--O 1.247 0.944 0 CA-C-O 121.581 0.705 . . . . 0.0 109.839 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.17 -35.68 81.83 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.542 -0.753 . . . . 0.0 109.926 177.718 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 49.4 m -64.03 -42.91 96.92 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 119.73 -0.788 . . . . 0.0 109.913 179.225 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 36.9 mt -61.7 -42.67 99.24 Favored 'General case' 0 C--O 1.241 0.642 0 C-N-CA 119.286 -0.966 . . . . 0.0 108.846 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.9 mt -61.86 -45.18 99.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.994 178.49 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -61.97 -40.61 96.2 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.948 0.721 . . . . 0.0 112.948 -179.044 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.3 m -74.58 -41.55 48.64 Favored 'Isoleucine or valine' 0 C--O 1.255 1.382 0 C-N-CA 119.185 -1.006 . . . . 0.0 111.24 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -60.44 -48.09 83.28 Favored 'General case' 0 CA--C 1.513 -0.465 0 C-N-CA 119.111 -1.035 . . . . 0.0 109.826 177.266 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -63.76 -34.95 79.05 Favored 'General case' 0 CA--C 1.501 -0.926 0 CA-C-N 115.25 -0.887 . . . . 0.0 110.006 178.149 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.541 ' O ' ' HB2' ' A' ' 21' ' ' LYS . . . -57.85 -51.63 68.81 Favored 'General case' 0 N--CA 1.434 -1.231 0 C-N-CA 118.69 -1.204 . . . . 0.0 109.431 -178.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.466 ' HB2' HD12 ' A' ' 36' ' ' LEU . 23.2 m-70 -79.2 -52.18 8.5 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 114.589 1.329 . . . . 0.0 114.589 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.46 ' OG ' ' O ' ' A' ' 25' ' ' LYS . 22.7 t -57.98 -40.9 81.79 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 118.786 -1.166 . . . . 0.0 108.99 -179.23 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.14 -44.16 68.01 Favored Glycine 0 C--N 1.343 0.918 0 CA-C-N 115.223 -0.899 . . . . 0.0 112.097 178.439 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.541 ' HB2' ' O ' ' A' ' 17' ' ' ALA . 6.0 ttpm? -59.41 -42.21 91.25 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 120.133 -0.627 . . . . 0.0 112.012 -179.22 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.578 ' OE1' ' NZ ' ' A' ' 31' ' ' LYS . 97.2 mt-10 -129.32 151.87 49.49 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.27 -148.22 29.73 Favored Glycine 0 N--CA 1.464 0.552 0 CA-C-N 115.778 -0.646 . . . . 0.0 112.341 177.649 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -71.14 139.54 50.28 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 179.307 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.46 ' O ' ' OG ' ' A' ' 19' ' ' SER . 33.9 mtmt -61.62 -32.45 72.59 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.814 -178.141 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.591 ' OH ' ' CD2' ' B' ' 90' ' ' TRP . 96.2 m-85 -106.7 20.12 19.48 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -177.445 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.55 ' NZ ' ' OD2' ' A' ' 66' ' ' ASP . 3.9 tptt -137.97 137.83 38.32 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 119.437 -0.905 . . . . 0.0 109.017 178.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.5 tp -112.12 128.55 56.25 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 -178.621 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 92.6 p -101.31 166.8 10.57 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 116.69 -0.232 . . . . 0.0 110.882 -179.147 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.6 ttpt -53.42 -48.35 68.81 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-O 121.057 0.456 . . . . 0.0 112.077 -177.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.58 ' HG3' ' N ' ' A' ' 32' ' ' GLU . 17.5 pttp -61.05 -48.49 81.5 Favored 'General case' 0 N--CA 1.441 -0.899 0 C-N-CA 119.887 -0.725 . . . . 0.0 110.111 -178.606 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.58 ' N ' ' HG3' ' A' ' 31' ' ' LYS . 95.1 mt-10 -63.06 -49.91 72.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.244 -178.407 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.49 HD22 HG21 ' A' ' 69' ' ' VAL . 1.2 pp -60.97 -35.69 77.45 Favored 'General case' 0 CA--C 1.498 -1.033 0 C-N-CA 118.7 -1.2 . . . . 0.0 109.921 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.6 tptm -55.49 -37.04 67.3 Favored 'General case' 0 N--CA 1.433 -1.302 0 C-N-CA 118.11 -1.436 . . . . 0.0 108.37 178.452 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.776 ' O ' HG23 ' A' ' 39' ' ' THR . 96.6 mt-10 -75.9 -41.29 52.44 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 112.984 0.735 . . . . 0.0 112.984 179.574 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.756 ' O ' HD23 ' A' ' 36' ' ' LEU . 2.7 tt -65.14 -45.45 84.97 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 120.416 -0.514 . . . . 0.0 111.563 -177.118 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.565 ' N ' ' CD2' ' A' ' 37' ' ' LEU . 1.2 mm? -64.54 -42.78 95.51 Favored 'General case' 0 CA--C 1.521 -0.164 0 C-N-CA 118.536 -1.266 . . . . 0.0 111.243 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -64.5 -39.54 93.98 Favored 'General case' 0 C--O 1.232 0.142 0 C-N-CA 119.942 -0.703 . . . . 0.0 111.861 179.499 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.776 HG23 ' O ' ' A' ' 35' ' ' GLU . 66.2 p -70.4 -38.21 74.6 Favored 'General case' 0 C--O 1.232 0.134 0 C-N-CA 120.046 -0.661 . . . . 0.0 111.577 -179.46 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -92.25 -52.97 4.43 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.539 ' O ' ' O ' ' A' ' 37' ' ' LEU . 30.9 mt -104.17 141.59 35.98 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 121.138 0.494 . . . . 0.0 111.136 -179.336 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 m -113.38 -68.26 0.94 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.511 179.195 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.42 -37.66 88.58 Favored Glycine 0 CA--C 1.53 0.993 0 CA-C-N 115.521 -0.763 . . . . 0.0 113.853 -178.695 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -60.26 -53.02 62.62 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 118.086 0.943 . . . . 0.0 112.085 -178.028 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -75.76 -40.1 55.93 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 120.359 -0.536 . . . . 0.0 111.324 178.407 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -60.45 -33.34 72.41 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.417 -179.198 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.12 -34.77 70.58 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 -177.427 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.471 ' C ' ' H ' ' A' ' 50' ' ' ASP . 93.6 mm-40 -61.73 -34.41 75.75 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.123 -0.631 . . . . 0.0 109.637 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 79.5 tttt 67.59 -32.48 0.2 Allowed 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.299 -0.864 . . . . 0.0 112.095 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.471 ' H ' ' C ' ' A' ' 48' ' ' GLN . 88.1 m-20 -70.54 142.67 51.78 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.452 -0.499 . . . . 0.0 111.311 -179.664 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.7 m -72.72 -29.61 30.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.619 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -83.73 1.87 40.6 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.23 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.498 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -58.18 -38.21 76.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.79 -178.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.606 HG13 ' N ' ' A' ' 55' ' ' ASP . 7.3 p -59.76 -43.99 92.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 C-N-CA 119.785 -0.766 . . . . 0.0 110.097 179.222 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.606 ' N ' HG13 ' A' ' 54' ' ' VAL . 89.3 m-20 -62.86 -43.59 98.39 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.451 179.583 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 51.5 mttp -61.96 -40.32 95.15 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.951 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 53' ' ' ALA . 69.9 t -66.76 -46.39 85.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.352 -179.143 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -65.05 -34.33 78.16 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 -178.253 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.3 mtmt -58.93 -41.14 86.63 Favored 'General case' 0 CA--C 1.52 -0.175 0 C-N-CA 119.192 -1.003 . . . . 0.0 110.923 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -65.52 -39.58 91.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.221 0.534 . . . . 0.0 110.961 178.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 71.7 mt -67.71 -35.43 78.78 Favored 'General case' 0 CA--C 1.51 -0.565 0 CA-C-N 115.485 -0.78 . . . . 0.0 112.651 -178.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.487 ' CG ' ' H ' ' A' ' 65' ' ' GLY . 44.9 t0 -72.2 72.56 0.91 Allowed 'General case' 0 N--CA 1.445 -0.691 0 C-N-CA 118.347 -1.341 . . . . 0.0 110.686 -178.233 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -62.86 -37.56 87.34 Favored 'General case' 0 CA--C 1.497 -1.065 0 N-CA-C 106.92 -1.511 . . . . 0.0 106.92 175.702 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.482 ' OD1' ' OD2' ' A' ' 66' ' ' ASP . 18.5 t-20 -57.9 -39.74 78.64 Favored 'General case' 0 N--CA 1.429 -1.487 0 CA-C-N 111.567 -2.56 . . . . 0.0 111.28 178.552 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.487 ' H ' ' CG ' ' A' ' 62' ' ' ASP . . . 79.87 18.72 71.98 Favored Glycine 0 CA--C 1.529 0.959 0 C-N-CA 121.396 -0.43 . . . . 0.0 112.94 177.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.55 ' OD2' ' NZ ' ' A' ' 27' ' ' LYS . 54.9 p30 -89.47 2.3 54.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 117.536 0.668 . . . . 0.0 112.508 -179.576 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 87.14 -2.61 86.92 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.655 -0.978 . . . . 0.0 110.655 178.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.505 ' OE1' ' O ' ' A' ' 66' ' ' ASP . 58.6 mp0 -121.2 160.32 24.07 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 115.419 -0.39 . . . . 0.0 110.517 179.532 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.49 HG21 HD22 ' A' ' 33' ' ' LEU . 48.3 t -102.87 130.23 53.28 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.584 0 N-CA-C 106.832 -1.544 . . . . 0.0 106.832 176.273 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 49.0 t0 -100.6 160.94 13.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.127 0.489 . . . . 0.0 111.601 -177.604 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.511 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 1.0 OUTLIER -50.58 -44.11 56.7 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.264 -178.792 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.409 ' HG2' HG21 ' B' ' 83' ' ' VAL . 94.1 mt-30 -61.83 -40.47 95.41 Favored 'General case' 0 C--O 1.245 0.847 0 C-N-CA 119.733 -0.787 . . . . 0.0 110.834 178.724 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.482 ' O ' HG22 ' A' ' 76' ' ' VAL . 79.5 mt-10 -64.33 -42.69 96.16 Favored 'General case' 0 C--O 1.243 0.714 0 CA-C-O 122.374 1.083 . . . . 0.0 109.698 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -63.31 -40.82 98.4 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 114.299 -1.318 . . . . 0.0 110.106 178.646 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.619 HG13 ' HB1' ' B' ' 79' ' ' ALA . 0.5 OUTLIER -60.37 -47.83 90.81 Favored 'Isoleucine or valine' 0 C--O 1.248 1.012 0 CA-C-N 113.779 -1.555 . . . . 0.0 109.825 -178.97 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.482 HG22 ' O ' ' A' ' 73' ' ' GLU . 16.8 m -67.29 -34.97 72.43 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.572 0 C-N-CA 117.82 -1.552 . . . . 0.0 109.374 178.656 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.59 ' O ' HD13 ' A' ' 81' ' ' LEU . 32.5 tp -56.83 -51.35 69.32 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 118.832 -1.147 . . . . 0.0 111.913 178.251 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 34.3 m -68.4 -36.22 73.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 C-N-CA 118.659 -1.216 . . . . 0.0 111.662 -178.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.74 ' HB2' ' HB2' ' B' ' 79' ' ' ALA . . . -68.86 -49.03 61.8 Favored 'General case' 0 C--O 1.25 1.081 0 C-N-CA 119.002 -1.079 . . . . 0.0 112.064 -179.288 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.88 -39.47 94.54 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.59 HD13 ' O ' ' A' ' 77' ' ' LEU . 9.7 mp -65.16 -34.3 78.07 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 119.346 -0.941 . . . . 0.0 109.819 176.644 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 37.4 m -63.06 -49.94 72.56 Favored 'General case' 0 C--O 1.245 0.831 0 C-N-CA 119.765 -0.774 . . . . 0.0 111.194 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.418 HG21 ' HG2' ' B' ' 72' ' ' GLN . 13.2 p -63.99 -39.18 84.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 118.95 -1.1 . . . . 0.0 110.73 178.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.49 -30.45 71.22 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-O 121.18 0.514 . . . . 0.0 109.933 178.696 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 42.4 t -67.81 -54.37 19.66 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.384 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 25.6 t30 -55.89 -41.34 74.32 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 118.69 -1.204 . . . . 0.0 108.579 178.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.686 ' O ' ' HB2' ' A' ' 91' ' ' GLU . 87.3 m-20 -59.33 -40.65 87.01 Favored 'General case' 0 C--O 1.2 -1.534 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.547 178.027 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.557 ' O ' ' O ' ' A' ' 91' ' ' GLU . 68.3 t80 -63.58 -40.66 97.53 Favored 'General case' 0 C--N 1.302 -1.482 0 C-N-CA 118.172 -1.411 . . . . 0.0 110.71 179.005 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -64.8 -60.29 3.25 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 120.046 -0.662 . . . . 0.0 112.233 -178.431 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.594 ' CD2' ' OH ' ' B' ' 26' ' ' TYR . 19.8 t-105 -68.73 -44.27 74.19 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 121.734 0.778 . . . . 0.0 111.55 179.186 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.686 ' HB2' ' O ' ' A' ' 87' ' ' ASN . 60.6 mm-40 . . . . . 0 C--N 1.32 -0.675 0 CA-C-N 114.361 -1.291 . . . . 0.0 111.541 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 . . . . . 0 C--O 1.237 0.441 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.481 ' O ' HD23 ' B' ' 4' ' ' LEU . 5.7 tt -60.97 -41.29 96.11 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 -179.211 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.08 -37.54 87.85 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.213 178.351 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 43.6 m -59.26 -40.89 87.46 Favored 'General case' 0 CA--C 1.515 -0.383 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 178.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.55 -45.84 85.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.346 179.246 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 99.1 mtp -59.88 -41.12 90.87 Favored 'General case' 0 C--O 1.246 0.878 0 CA-C-O 121.579 0.704 . . . . 0.0 109.887 179.597 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.08 -36.43 84.29 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.834 177.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 47.5 m -63.17 -43.05 99.36 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 119.759 -0.776 . . . . 0.0 110.177 178.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 43.1 mt -61.86 -42.49 99.12 Favored 'General case' 0 C--O 1.241 0.62 0 C-N-CA 119.23 -0.988 . . . . 0.0 108.868 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.9 mt -61.83 -45.17 99.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.029 178.441 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -61.97 -40.64 96.31 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.964 0.727 . . . . 0.0 112.964 -179.088 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 17.2 m -74.56 -41.46 48.79 Favored 'Isoleucine or valine' 0 C--O 1.255 1.347 0 C-N-CA 119.147 -1.021 . . . . 0.0 111.278 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -60.57 -47.95 83.94 Favored 'General case' 0 CA--C 1.513 -0.468 0 C-N-CA 119.052 -1.059 . . . . 0.0 109.864 177.286 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -63.81 -34.91 78.96 Favored 'General case' 0 CA--C 1.501 -0.926 0 CA-C-N 115.254 -0.884 . . . . 0.0 109.987 178.132 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.536 ' O ' ' HB2' ' B' ' 21' ' ' LYS . . . -57.96 -51.57 69.1 Favored 'General case' 0 N--CA 1.435 -1.21 0 C-N-CA 118.643 -1.223 . . . . 0.0 109.404 -178.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.491 ' HB2' HD12 ' B' ' 36' ' ' LEU . 23.0 m-70 -79.18 -52.23 8.44 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 114.545 1.313 . . . . 0.0 114.545 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.452 ' OG ' ' O ' ' B' ' 25' ' ' LYS . 22.8 t -57.97 -40.96 81.92 Favored 'General case' 0 C--N 1.341 0.218 0 C-N-CA 118.852 -1.139 . . . . 0.0 108.939 -179.249 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.09 -44.11 68.64 Favored Glycine 0 C--N 1.343 0.931 0 CA-C-N 115.265 -0.879 . . . . 0.0 112.175 178.468 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' LYS . . . . . 0.536 ' HB2' ' O ' ' B' ' 17' ' ' ALA . 6.0 ttpm? -59.43 -42.21 91.35 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 120.144 -0.622 . . . . 0.0 112.023 -179.256 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.586 ' OE1' ' NZ ' ' B' ' 31' ' ' LYS . 97.2 mt-10 -129.33 151.9 49.47 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 112.813 0.672 . . . . 0.0 112.813 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.23 -148.28 29.45 Favored Glycine 0 N--CA 1.465 0.568 0 CA-C-N 115.802 -0.636 . . . . 0.0 112.361 177.702 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -71.02 139.42 50.48 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 179.246 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.452 ' O ' ' OG ' ' B' ' 19' ' ' SER . 33.9 mtmt -61.52 -32.53 72.58 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 -178.161 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.594 ' OH ' ' CD2' ' A' ' 90' ' ' TRP . 96.3 m-85 -106.53 20.02 19.62 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 -177.534 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.45 ' NZ ' ' OD2' ' B' ' 66' ' ' ASP . 4.0 tptt -137.93 137.93 38.48 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 119.438 -0.905 . . . . 0.0 109.119 178.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 14.5 tp -112.18 128.48 56.24 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.161 -0.615 . . . . 0.0 109.368 -178.655 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 94.1 p -101.29 166.74 10.6 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.673 -0.239 . . . . 0.0 110.915 -179.138 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 24.6 ttpt -53.41 -48.44 68.71 Favored 'General case' 0 C--O 1.24 0.592 0 CA-C-O 121.096 0.474 . . . . 0.0 112.089 -177.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.601 ' HG3' ' N ' ' B' ' 32' ' ' GLU . 17.5 pttp -60.99 -48.52 81.45 Favored 'General case' 0 N--CA 1.441 -0.904 0 C-N-CA 119.943 -0.703 . . . . 0.0 110.063 -178.639 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.601 ' N ' ' HG3' ' B' ' 31' ' ' LYS . 95.0 mt-10 -63.03 -49.92 72.71 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.095 -0.642 . . . . 0.0 112.25 -178.39 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.472 HD22 HG21 ' B' ' 69' ' ' VAL . 1.2 pp -60.97 -35.71 77.5 Favored 'General case' 0 CA--C 1.499 -1.015 0 C-N-CA 118.71 -1.196 . . . . 0.0 109.908 -179.711 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -55.41 -37.06 67.13 Favored 'General case' 0 N--CA 1.432 -1.354 0 C-N-CA 118.189 -1.404 . . . . 0.0 108.364 178.425 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.784 ' O ' HG23 ' B' ' 39' ' ' THR . 96.5 mt-10 -75.96 -41.14 52.35 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 179.588 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.755 ' O ' HD23 ' B' ' 36' ' ' LEU . 2.7 tt -65.23 -45.49 84.45 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 120.466 -0.494 . . . . 0.0 111.599 -177.17 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.571 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 1.1 mm? -64.57 -42.65 95.52 Favored 'General case' 0 CA--C 1.521 -0.153 0 C-N-CA 118.504 -1.278 . . . . 0.0 111.304 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -64.66 -39.47 93.74 Favored 'General case' 0 C--O 1.231 0.108 0 C-N-CA 119.925 -0.71 . . . . 0.0 111.75 179.55 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.784 HG23 ' O ' ' B' ' 35' ' ' GLU . 67.2 p -70.33 -38.33 74.87 Favored 'General case' 0 C--N 1.333 -0.119 0 C-N-CA 120.102 -0.639 . . . . 0.0 111.57 -179.477 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -92.17 -53.1 4.38 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.538 ' O ' ' O ' ' B' ' 37' ' ' LEU . 30.5 mt -104.06 141.54 36.04 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 121.248 0.546 . . . . 0.0 111.116 -179.27 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.4 m -113.41 -68.06 0.95 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.598 179.094 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.44 -37.72 88.87 Favored Glycine 0 CA--C 1.531 1.05 0 CA-C-N 115.621 -0.718 . . . . 0.0 113.855 -178.755 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -60.19 -53.11 61.66 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 117.965 0.883 . . . . 0.0 112.14 -178.048 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -75.69 -40.18 56.28 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 120.381 -0.528 . . . . 0.0 111.331 178.342 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -60.43 -33.22 72.22 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.513 -179.249 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.24 -34.63 70.66 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -177.461 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.479 ' C ' ' H ' ' B' ' 50' ' ' ASP . 93.6 mm-40 -61.85 -34.31 75.75 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.105 -0.638 . . . . 0.0 109.7 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 79.5 tttt 67.59 -32.51 0.2 Allowed 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.28 -0.873 . . . . 0.0 112.091 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 50' ' ' ASP . . . . . 0.479 ' H ' ' C ' ' B' ' 48' ' ' GLN . 88.1 m-20 -70.55 142.78 51.76 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.417 -0.513 . . . . 0.0 111.32 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 4.7 m -72.81 -29.61 30.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.614 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -83.75 1.82 40.91 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.245 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.499 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -58.11 -38.23 76.07 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.773 -179.023 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.624 HG13 ' N ' ' B' ' 55' ' ' ASP . 7.1 p -59.71 -44.05 92.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 C-N-CA 119.692 -0.803 . . . . 0.0 110.1 179.227 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.624 ' N ' HG13 ' B' ' 54' ' ' VAL . 89.2 m-20 -62.81 -43.55 98.51 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.523 179.605 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 51.6 mttp -62.06 -40.27 95.2 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.926 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.499 HG23 ' O ' ' B' ' 53' ' ' ALA . 70.5 t -66.73 -46.5 85.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.071 -0.513 . . . . 0.0 112.325 -179.162 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -64.96 -34.36 78.24 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 -178.301 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 14.2 mtmt -58.99 -41.11 86.83 Favored 'General case' 0 CA--C 1.521 -0.148 0 C-N-CA 119.053 -1.059 . . . . 0.0 110.857 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -65.44 -39.62 92.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.241 0.543 . . . . 0.0 110.947 178.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 71.2 mt -67.72 -35.37 78.65 Favored 'General case' 0 CA--C 1.511 -0.526 0 CA-C-N 115.491 -0.777 . . . . 0.0 112.599 -178.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.486 ' CG ' ' H ' ' B' ' 65' ' ' GLY . 44.8 t0 -72.19 72.34 0.9 Allowed 'General case' 0 N--CA 1.444 -0.74 0 C-N-CA 118.452 -1.299 . . . . 0.0 110.697 -178.202 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -62.75 -37.54 87.0 Favored 'General case' 0 CA--C 1.497 -1.091 0 N-CA-C 106.943 -1.503 . . . . 0.0 106.943 175.747 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.479 ' OD1' ' CG ' ' B' ' 66' ' ' ASP . 18.5 t-20 -57.87 -39.75 78.56 Favored 'General case' 0 N--CA 1.431 -1.407 0 CA-C-N 111.554 -2.566 . . . . 0.0 111.257 178.524 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.486 ' H ' ' CG ' ' B' ' 62' ' ' ASP . . . 79.79 18.76 72.1 Favored Glycine 0 CA--C 1.53 1.028 0 C-N-CA 121.399 -0.429 . . . . 0.0 112.983 178.039 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.499 ' O ' ' OE1' ' B' ' 68' ' ' GLU . 54.7 p30 -89.51 2.36 54.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 117.486 0.643 . . . . 0.0 112.59 -179.638 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 87.2 -2.72 86.87 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.692 -0.963 . . . . 0.0 110.692 178.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.499 ' OE1' ' O ' ' B' ' 66' ' ' ASP . 58.5 mp0 -121.24 160.36 24.04 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-N 115.395 -0.403 . . . . 0.0 110.51 179.526 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.472 HG21 HD22 ' B' ' 33' ' ' LEU . 48.5 t -102.9 130.37 53.11 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 N-CA-C 106.831 -1.544 . . . . 0.0 106.831 176.303 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.531 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 48.3 t0 -100.38 160.9 13.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.146 0.498 . . . . 0.0 111.587 -177.57 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.531 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 1.0 OUTLIER -50.59 -44.14 56.82 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.17 -178.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.418 ' HG2' HG21 ' A' ' 83' ' ' VAL . 94.1 mt-30 -61.95 -40.34 95.21 Favored 'General case' 0 C--O 1.245 0.857 0 C-N-CA 119.835 -0.746 . . . . 0.0 110.797 178.866 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.478 ' O ' HG22 ' B' ' 76' ' ' VAL . 79.5 mt-10 -64.42 -42.71 95.91 Favored 'General case' 0 C--O 1.244 0.783 0 CA-C-O 122.441 1.115 . . . . 0.0 109.664 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -63.31 -40.86 98.5 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 114.372 -1.285 . . . . 0.0 110.143 178.672 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.62 HG13 ' HB1' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -60.3 -47.86 90.61 Favored 'Isoleucine or valine' 0 C--O 1.249 1.038 0 CA-C-N 113.736 -1.575 . . . . 0.0 109.874 -179.028 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.478 HG22 ' O ' ' B' ' 73' ' ' GLU . 16.8 m -67.24 -34.95 72.49 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.561 0 C-N-CA 117.818 -1.553 . . . . 0.0 109.389 178.639 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.597 ' O ' HD13 ' B' ' 81' ' ' LEU . 32.6 tp -56.87 -51.31 69.56 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 118.795 -1.162 . . . . 0.0 111.909 178.259 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 34.3 m -68.41 -36.22 73.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 118.69 -1.204 . . . . 0.0 111.665 -178.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.74 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . . . -68.85 -49.23 60.17 Favored 'General case' 0 C--O 1.251 1.152 0 C-N-CA 119.078 -1.049 . . . . 0.0 111.982 -179.272 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.68 -39.57 94.36 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.597 HD13 ' O ' ' B' ' 77' ' ' LEU . 9.6 mp -65.08 -34.5 78.57 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 119.363 -0.935 . . . . 0.0 109.742 176.717 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 37.3 m -62.94 -49.88 73.03 Favored 'General case' 0 C--O 1.244 0.808 0 C-N-CA 119.731 -0.788 . . . . 0.0 111.192 179.708 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.409 HG21 ' HG2' ' A' ' 72' ' ' GLN . 13.1 p -63.97 -39.3 84.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 119.038 -1.065 . . . . 0.0 110.641 178.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.41 -30.47 71.28 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 121.145 0.498 . . . . 0.0 109.901 178.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 42.4 t -67.77 -54.4 19.55 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-N 115.487 -0.778 . . . . 0.0 109.417 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 25.8 t30 -55.99 -41.33 74.65 Favored 'General case' 0 C--O 1.239 0.517 0 C-N-CA 118.69 -1.204 . . . . 0.0 108.583 178.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 87' ' ' ASN . . . . . 0.672 ' O ' ' HB2' ' B' ' 91' ' ' GLU . 87.2 m-20 -59.25 -40.78 87.08 Favored 'General case' 0 C--O 1.201 -1.484 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.505 177.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.552 ' O ' ' O ' ' B' ' 91' ' ' GLU . 68.3 t80 -63.58 -40.62 97.43 Favored 'General case' 0 C--N 1.302 -1.49 0 C-N-CA 118.203 -1.399 . . . . 0.0 110.694 179.05 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -64.81 -60.24 3.31 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 120.068 -0.653 . . . . 0.0 112.29 -178.454 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 90' ' ' TRP . . . . . 0.591 ' CD2' ' OH ' ' A' ' 26' ' ' TYR . 19.8 t-105 -68.78 -44.28 73.97 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.641 0.734 . . . . 0.0 111.485 179.143 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 91' ' ' GLU . . . . . 0.672 ' HB2' ' O ' ' B' ' 87' ' ' ASN . 61.0 mm-40 . . . . . 0 C--N 1.319 -0.76 0 CA-C-N 114.49 -1.232 . . . . 0.0 111.547 -179.505 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 . . . . . 0 C--O 1.236 0.37 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.503 ' O ' HD23 ' A' ' 4' ' ' LEU . 5.6 tt -61.97 -41.2 97.75 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 118.696 -1.202 . . . . 0.0 107.963 -179.317 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -65.32 -37.44 87.1 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.124 178.305 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.2 m -59.09 -41.0 87.04 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 179.122 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.74 -46.02 84.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.494 179.139 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 99.1 mtp -59.55 -41.42 90.06 Favored 'General case' 0 C--O 1.247 0.97 0 CA-C-O 121.78 0.8 . . . . 0.0 109.833 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.34 -35.45 81.03 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 115.327 -0.852 . . . . 0.0 110.132 177.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 53.1 m -64.29 -43.07 95.91 Favored 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 119.605 -0.838 . . . . 0.0 110.046 179.303 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 38.6 mt -61.85 -42.57 99.21 Favored 'General case' 0 C--O 1.239 0.515 0 C-N-CA 119.119 -1.033 . . . . 0.0 108.797 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.2 mt -61.68 -45.15 99.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 C-N-CA 119.732 -0.787 . . . . 0.0 111.176 178.459 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -62.05 -41.39 98.08 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 -179.06 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.8 m -73.65 -41.2 55.17 Favored 'Isoleucine or valine' 0 C--O 1.256 1.432 0 C-N-CA 119.128 -1.029 . . . . 0.0 110.938 -179.523 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -60.59 -47.43 86.23 Favored 'General case' 0 CA--C 1.513 -0.455 0 C-N-CA 119.388 -0.925 . . . . 0.0 109.767 177.296 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -63.52 -34.73 78.43 Favored 'General case' 0 CA--C 1.502 -0.894 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.839 177.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.554 ' O ' ' HB2' ' A' ' 21' ' ' LYS . . . -57.63 -51.85 67.84 Favored 'General case' 0 N--CA 1.436 -1.172 0 C-N-CA 118.746 -1.181 . . . . 0.0 109.333 -179.059 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.469 ' ND1' ' HG ' ' A' ' 36' ' ' LEU . 46.9 m80 -78.41 -52.89 7.89 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 114.772 1.397 . . . . 0.0 114.772 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.422 ' OG ' ' O ' ' A' ' 25' ' ' LYS . 24.7 t -58.04 -40.91 82.08 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 118.889 -1.124 . . . . 0.0 109.1 -179.153 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.13 -43.93 69.28 Favored Glycine 0 C--N 1.343 0.969 0 CA-C-N 115.316 -0.856 . . . . 0.0 112.12 178.375 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.554 ' HB2' ' O ' ' A' ' 17' ' ' ALA . 6.1 ttpm? -59.39 -42.27 91.33 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 120.112 -0.635 . . . . 0.0 111.814 -179.297 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.443 ' C ' ' OE2' ' A' ' 32' ' ' GLU . 76.9 mm-40 -129.94 151.4 50.54 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.2 -149.3 31.52 Favored Glycine 0 N--CA 1.464 0.558 0 CA-C-N 115.848 -0.615 . . . . 0.0 112.306 177.726 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -70.98 140.1 50.77 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 179.186 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.422 ' O ' ' OG ' ' A' ' 19' ' ' SER . 34.4 mtmt -61.73 -32.78 73.03 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 -177.807 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.599 ' OH ' ' CE3' ' B' ' 90' ' ' TRP . 93.7 m-85 -107.72 19.76 19.71 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 -177.153 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.403 ' CG ' ' OE2' ' A' ' 68' ' ' GLU . 34.0 tptt -139.92 143.95 36.88 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.459 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.5 tp -116.57 132.32 56.71 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 120.537 -0.465 . . . . 0.0 111.277 -175.682 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.9 t -99.71 158.59 15.67 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.566 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.9 ttpt -52.72 -45.75 67.08 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-O 121.267 0.556 . . . . 0.0 110.947 -177.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.59 ' HG3' ' N ' ' A' ' 32' ' ' GLU . 25.6 pttm -59.92 -48.02 83.39 Favored 'General case' 0 N--CA 1.437 -1.077 0 CA-C-N 115.564 -0.743 . . . . 0.0 109.675 -178.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.59 ' N ' ' HG3' ' A' ' 31' ' ' LYS . 95.2 mt-10 -63.31 -49.03 75.57 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 115.541 -0.754 . . . . 0.0 112.335 -178.489 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 pp -61.52 -34.65 75.89 Favored 'General case' 0 CA--C 1.501 -0.905 0 C-N-CA 118.577 -1.249 . . . . 0.0 109.963 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.561 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 0.3 OUTLIER -54.9 -37.38 66.25 Favored 'General case' 0 N--CA 1.436 -1.149 0 C-N-CA 118.058 -1.457 . . . . 0.0 108.004 178.046 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.863 ' O ' HG23 ' A' ' 39' ' ' THR . 97.4 mt-10 -74.88 -40.81 60.74 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 179.226 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.775 ' O ' HD23 ' A' ' 36' ' ' LEU . 3.6 tt -66.07 -46.14 78.81 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 119.754 -0.778 . . . . 0.0 111.813 -176.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.571 ' N ' ' CD2' ' A' ' 37' ' ' LEU . 1.3 mm? -64.0 -43.23 96.28 Favored 'General case' 0 CA--C 1.519 -0.235 0 C-N-CA 118.578 -1.249 . . . . 0.0 111.13 -179.708 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.561 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 27.1 mt-30 -64.36 -39.43 93.86 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.584 -0.446 . . . . 0.0 112.141 179.651 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.863 HG23 ' O ' ' A' ' 35' ' ' GLU . 64.0 p -70.61 -38.62 74.0 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.039 -0.664 . . . . 0.0 111.432 -179.649 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -92.85 -53.03 4.33 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.535 0.568 . . . . 0.0 112.535 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.557 ' O ' ' O ' ' A' ' 37' ' ' LEU . 29.9 mt -103.83 142.37 34.5 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.292 0.568 . . . . 0.0 111.417 -178.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.518 ' OG ' ' N ' ' A' ' 43' ' ' GLY . 51.8 p -115.81 -66.54 1.07 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.616 178.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.518 ' N ' ' OG ' ' A' ' 42' ' ' SER . . . -58.48 -37.76 89.2 Favored Glycine 0 CA--C 1.531 1.036 0 CA-C-N 115.664 -0.698 . . . . 0.0 113.777 -178.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -60.34 -52.91 63.26 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 117.938 0.869 . . . . 0.0 112.248 -178.099 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -74.58 -39.11 62.44 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 120.398 -0.521 . . . . 0.0 111.406 178.338 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -60.41 -32.63 71.53 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.648 -0.705 . . . . 0.0 112.636 -178.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.66 -33.59 68.48 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -177.196 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -61.69 -36.55 81.21 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 119.824 -0.75 . . . . 0.0 109.495 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.533 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 68.8 mttm 61.29 36.95 17.49 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.144 -0.935 . . . . 0.0 112.396 179.063 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.533 ' OD1' ' O ' ' A' ' 49' ' ' LYS . 91.7 m-20 -142.22 148.43 38.14 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 120.995 -0.282 . . . . 0.0 110.374 178.165 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.6 m -74.07 -31.29 29.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.558 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -82.85 -2.77 55.64 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.91 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.588 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -58.71 -38.57 78.58 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.491 -0.484 . . . . 0.0 110.735 -178.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.602 HG13 ' N ' ' A' ' 55' ' ' ASP . 10.0 p -60.92 -43.89 96.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 C-N-CA 119.815 -0.754 . . . . 0.0 110.616 179.644 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.602 ' N ' HG13 ' A' ' 54' ' ' VAL . 56.6 t0 -63.13 -45.03 93.9 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 120.168 -0.613 . . . . 0.0 110.387 179.692 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -62.6 -39.47 93.85 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 120.361 -0.536 . . . . 0.0 111.143 179.338 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.588 HG23 ' O ' ' A' ' 53' ' ' ALA . 74.5 t -64.89 -45.31 95.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 C-N-CA 120.561 -0.456 . . . . 0.0 111.683 -179.55 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.538 ' CE ' ' O ' ' A' ' 67' ' ' GLY . 0.9 OUTLIER -65.58 -33.59 76.25 Favored 'General case' 0 C--O 1.236 0.394 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 -178.838 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.5 mtmt -59.18 -40.98 87.37 Favored 'General case' 0 CA--C 1.52 -0.176 0 C-N-CA 119.398 -0.921 . . . . 0.0 111.186 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -64.8 -39.16 93.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.203 0.525 . . . . 0.0 110.704 179.045 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 62.1 mt -67.82 -35.12 78.04 Favored 'General case' 0 CA--C 1.508 -0.645 0 CA-C-N 115.428 -0.805 . . . . 0.0 112.112 -179.056 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.574 ' OD2' ' N ' ' A' ' 66' ' ' ASP . 31.1 t0 -72.22 76.85 0.98 Allowed 'General case' 0 N--CA 1.443 -0.786 0 C-N-CA 118.605 -1.238 . . . . 0.0 111.231 -178.027 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -63.44 -37.07 85.88 Favored 'General case' 0 CA--C 1.5 -0.954 0 CA-C-O 123.105 1.431 . . . . 0.0 107.284 175.7 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.493 ' OD1' ' OD2' ' A' ' 66' ' ' ASP . 15.6 t-20 -57.33 -38.86 74.75 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-N 111.464 -2.607 . . . . 0.0 112.077 179.277 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.469 ' H ' ' CG ' ' A' ' 62' ' ' ASP . . . 86.9 13.06 67.41 Favored Glycine 0 CA--C 1.529 0.951 0 C-N-CA 121.042 -0.599 . . . . 0.0 112.51 178.545 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.574 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 54.1 p30 -89.38 6.35 41.03 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.119 0.415 . . . . 0.0 112.119 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.538 ' O ' ' CE ' ' A' ' 58' ' ' MET . . . 68.96 -1.93 9.47 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.432 -1.067 . . . . 0.0 110.432 179.616 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.494 ' O ' ' OD1' ' A' ' 66' ' ' ASP . 83.8 tt0 -117.45 144.76 44.69 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 47.9 t -96.48 133.33 38.21 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.44 0 C-N-CA 120.145 -0.622 . . . . 0.0 110.912 -176.559 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.551 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 51.1 t0 -100.2 159.49 15.07 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.333 0.587 . . . . 0.0 111.651 -178.714 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.551 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 1.0 OUTLIER -50.67 -43.97 57.6 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.618 -178.504 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.416 ' HG2' HG21 ' B' ' 83' ' ' VAL . 94.1 mt-30 -61.71 -40.31 94.58 Favored 'General case' 0 C--O 1.245 0.83 0 C-N-CA 119.673 -0.811 . . . . 0.0 110.899 179.072 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.504 ' O ' HG22 ' A' ' 76' ' ' VAL . 86.3 mt-10 -64.27 -42.82 96.26 Favored 'General case' 0 C--O 1.245 0.822 0 CA-C-O 122.497 1.141 . . . . 0.0 109.584 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -63.04 -41.11 99.42 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-N 114.268 -1.333 . . . . 0.0 110.413 178.391 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.616 HG13 ' HB1' ' B' ' 79' ' ' ALA . 0.5 OUTLIER -60.23 -47.53 91.8 Favored 'Isoleucine or valine' 0 C--O 1.248 0.979 0 CA-C-N 113.706 -1.588 . . . . 0.0 109.784 -178.968 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.504 HG22 ' O ' ' A' ' 73' ' ' GLU . 17.4 m -67.06 -34.92 72.88 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.597 0 C-N-CA 117.705 -1.598 . . . . 0.0 109.218 178.563 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.561 ' O ' HD13 ' A' ' 81' ' ' LEU . 34.5 tp -56.5 -51.79 67.15 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 118.682 -1.207 . . . . 0.0 112.0 178.1 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 34.9 m -68.41 -36.2 73.89 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 C-N-CA 118.385 -1.326 . . . . 0.0 111.749 -178.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.726 ' HB2' ' HB2' ' B' ' 79' ' ' ALA . . . -68.57 -48.68 63.59 Favored 'General case' 0 C--O 1.249 1.039 0 C-N-CA 119.123 -1.031 . . . . 0.0 111.998 -179.315 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.99 -39.72 95.58 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.561 HD13 ' O ' ' A' ' 77' ' ' LEU . 9.6 mp -65.0 -34.93 79.62 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 119.304 -0.958 . . . . 0.0 109.961 176.61 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 37.0 m -62.92 -50.32 71.33 Favored 'General case' 0 C--O 1.246 0.911 0 C-N-CA 119.655 -0.818 . . . . 0.0 111.484 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.419 HG21 ' HG2' ' B' ' 72' ' ' GLN . 13.5 p -63.98 -38.67 83.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 C-N-CA 119.129 -1.028 . . . . 0.0 110.682 178.794 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.66 -30.6 71.33 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 121.052 0.453 . . . . 0.0 109.897 178.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 24.8 t -68.34 -54.8 14.92 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.685 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -56.19 -41.08 74.98 Favored 'General case' 0 C--O 1.243 0.712 0 C-N-CA 118.748 -1.181 . . . . 0.0 108.666 178.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.687 ' O ' ' HB2' ' A' ' 91' ' ' GLU . 87.4 m-20 -59.46 -40.64 87.54 Favored 'General case' 0 C--O 1.199 -1.569 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.307 177.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.56 ' O ' ' O ' ' A' ' 91' ' ' GLU . 68.2 t80 -63.43 -40.2 96.55 Favored 'General case' 0 C--N 1.3 -1.557 0 C-N-CA 118.103 -1.439 . . . . 0.0 110.374 178.789 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -64.05 -61.28 2.36 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 120.023 -0.671 . . . . 0.0 112.354 -178.463 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.604 ' CE3' ' OH ' ' B' ' 26' ' ' TYR . 21.2 t-105 -69.23 -43.39 74.15 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 119.76 -0.776 . . . . 0.0 111.701 179.076 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.687 ' HB2' ' O ' ' A' ' 87' ' ' ASN . 93.8 mt-10 . . . . . 0 C--N 1.319 -0.758 0 CA-C-N 114.391 -1.277 . . . . 0.0 111.692 -179.548 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 . . . . . 0 C--O 1.237 0.397 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.499 ' O ' HD23 ' B' ' 4' ' ' LEU . 5.6 tt -61.93 -41.24 97.73 Favored 'General case' 0 C--O 1.238 0.48 0 C-N-CA 118.722 -1.191 . . . . 0.0 107.971 -179.372 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -65.26 -37.48 87.35 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.096 178.256 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 45.7 m -59.07 -40.87 86.52 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 179.139 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.9 -46.02 83.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.391 179.226 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 99.1 mtp -59.65 -41.45 90.6 Favored 'General case' 0 C--O 1.249 1.056 0 CA-C-O 121.651 0.739 . . . . 0.0 109.75 179.714 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.13 -36.28 83.77 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.122 177.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 51.2 m -63.35 -43.36 97.93 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 119.712 -0.795 . . . . 0.0 110.254 179.102 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 44.7 mt -61.86 -42.49 99.11 Favored 'General case' 0 C--O 1.238 0.495 0 C-N-CA 119.185 -1.006 . . . . 0.0 108.773 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.2 mt -61.65 -45.18 99.21 Favored 'Isoleucine or valine' 0 C--O 1.232 0.163 0 CA-C-N 115.432 -0.803 . . . . 0.0 111.162 178.476 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -62.2 -41.36 98.28 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 -178.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 15.8 m -73.63 -41.21 55.31 Favored 'Isoleucine or valine' 0 C--O 1.256 1.399 0 C-N-CA 119.15 -1.02 . . . . 0.0 110.914 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -60.59 -47.37 86.51 Favored 'General case' 0 CA--C 1.513 -0.48 0 C-N-CA 119.416 -0.913 . . . . 0.0 109.77 177.284 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -63.59 -34.75 78.51 Favored 'General case' 0 CA--C 1.502 -0.9 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.8 177.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.546 ' O ' ' HB2' ' B' ' 21' ' ' LYS . . . -57.68 -51.73 68.34 Favored 'General case' 0 N--CA 1.435 -1.183 0 C-N-CA 118.746 -1.182 . . . . 0.0 109.356 -179.059 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.484 ' HB2' HD12 ' B' ' 36' ' ' LEU . 46.9 m80 -78.46 -52.93 7.82 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.417 ' OG ' ' O ' ' B' ' 25' ' ' LYS . 24.7 t -58.08 -40.98 82.46 Favored 'General case' 0 C--O 1.232 0.172 0 C-N-CA 118.989 -1.085 . . . . 0.0 109.083 -179.152 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.01 -44.06 69.42 Favored Glycine 0 C--N 1.342 0.909 0 O-C-N 124.093 0.871 . . . . 0.0 112.104 178.362 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' LYS . . . . . 0.546 ' HB2' ' O ' ' B' ' 17' ' ' ALA . 6.1 ttpm? -59.32 -42.32 91.14 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.145 -0.622 . . . . 0.0 111.858 -179.286 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.441 ' C ' ' OE2' ' B' ' 32' ' ' GLU . 76.9 mm-40 -129.91 151.45 50.45 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 179.785 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.15 -149.22 31.5 Favored Glycine 0 CA--C 1.524 0.608 0 CA-C-N 115.835 -0.621 . . . . 0.0 112.338 177.75 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -70.94 140.12 50.85 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 179.16 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.417 ' O ' ' OG ' ' B' ' 19' ' ' SER . 34.4 mtmt -61.8 -32.82 73.15 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 -177.822 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.604 ' OH ' ' CE3' ' A' ' 90' ' ' TRP . 93.8 m-85 -107.62 19.69 19.84 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 113.067 0.766 . . . . 0.0 113.067 -177.12 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.425 ' HG2' ' CD ' ' B' ' 68' ' ' GLU . 34.8 tptt -139.82 144.04 37.12 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 179.497 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 14.5 tp -116.66 132.33 56.72 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 120.519 -0.472 . . . . 0.0 111.276 -175.761 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 33.0 t -99.69 158.65 15.63 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.527 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 19.9 ttpt -52.78 -45.74 67.29 Favored 'General case' 0 C--O 1.24 0.572 0 CA-C-O 121.212 0.53 . . . . 0.0 110.992 -177.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.609 ' HG3' ' N ' ' B' ' 32' ' ' GLU . 25.6 pttm -59.9 -48.1 83.05 Favored 'General case' 0 N--CA 1.438 -1.049 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.593 -178.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.609 ' N ' ' HG3' ' B' ' 31' ' ' LYS . 95.1 mt-10 -63.19 -49.15 75.4 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.317 -178.459 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 pp -61.42 -34.63 75.71 Favored 'General case' 0 CA--C 1.501 -0.926 0 C-N-CA 118.537 -1.265 . . . . 0.0 110.03 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.557 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 0.3 OUTLIER -54.94 -37.4 66.37 Favored 'General case' 0 N--CA 1.437 -1.111 0 C-N-CA 118.048 -1.461 . . . . 0.0 107.995 178.042 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.875 ' O ' HG23 ' B' ' 39' ' ' THR . 97.4 mt-10 -74.84 -40.88 60.79 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 179.218 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.759 ' O ' HD23 ' B' ' 36' ' ' LEU . 3.6 tt -66.08 -46.09 78.95 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 119.723 -0.791 . . . . 0.0 111.833 -176.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.574 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 1.2 mm? -64.09 -43.19 96.13 Favored 'General case' 0 CA--C 1.52 -0.195 0 C-N-CA 118.623 -1.231 . . . . 0.0 111.056 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.557 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 27.1 mt-30 -64.44 -39.44 93.82 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.538 -0.465 . . . . 0.0 112.134 179.663 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.875 HG23 ' O ' ' B' ' 35' ' ' GLU . 64.4 p -70.51 -38.63 74.31 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 120.082 -0.647 . . . . 0.0 111.385 -179.714 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -92.84 -53.01 4.34 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.538 0.569 . . . . 0.0 112.538 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.556 ' O ' ' O ' ' B' ' 37' ' ' LEU . 29.9 mt -103.86 142.36 34.53 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 121.181 0.515 . . . . 0.0 111.443 -178.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.521 ' OG ' ' N ' ' B' ' 43' ' ' GLY . 51.8 p -115.89 -66.48 1.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.603 178.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 43' ' ' GLY . . . . . 0.521 ' N ' ' OG ' ' B' ' 42' ' ' SER . . . -58.54 -37.81 89.66 Favored Glycine 0 CA--C 1.531 1.04 0 CA-C-N 115.733 -0.667 . . . . 0.0 113.639 -178.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -60.35 -52.85 63.48 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 118.007 0.904 . . . . 0.0 112.285 -178.081 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -74.5 -39.14 62.6 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.12 0.486 . . . . 0.0 111.393 178.319 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -60.42 -32.65 71.56 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.646 -178.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.66 -33.57 68.45 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -177.153 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 94.0 mm-40 -61.73 -36.59 81.4 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 119.768 -0.773 . . . . 0.0 109.376 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.536 ' O ' ' OD1' ' B' ' 50' ' ' ASP . 68.8 mttm 61.27 36.98 17.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.2 -0.909 . . . . 0.0 112.414 179.092 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 50' ' ' ASP . . . . . 0.536 ' OD1' ' O ' ' B' ' 49' ' ' LYS . 92.0 m-20 -142.22 148.45 38.16 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 120.974 -0.291 . . . . 0.0 110.32 178.142 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 5.6 m -74.12 -31.18 28.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.564 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -82.85 -2.74 55.57 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.913 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.587 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -58.63 -38.62 78.47 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.466 -0.494 . . . . 0.0 110.786 -179.001 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.608 HG13 ' N ' ' B' ' 55' ' ' ASP . 9.9 p -60.88 -43.96 96.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 C-N-CA 119.779 -0.769 . . . . 0.0 110.622 179.62 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.608 ' N ' HG13 ' B' ' 54' ' ' VAL . 56.5 t0 -63.05 -45.12 93.73 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 120.264 -0.574 . . . . 0.0 110.401 179.647 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -62.53 -39.52 93.84 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 120.489 -0.484 . . . . 0.0 111.148 179.315 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.587 HG23 ' O ' ' B' ' 53' ' ' ALA . 74.7 t -64.86 -45.3 95.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 C-N-CA 120.519 -0.473 . . . . 0.0 111.671 -179.559 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.535 ' CE ' ' O ' ' B' ' 67' ' ' GLY . 0.9 OUTLIER -65.55 -33.76 76.67 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 113.526 0.936 . . . . 0.0 113.526 -178.792 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 12.5 mtmt -59.2 -40.93 87.3 Favored 'General case' 0 CA--C 1.522 -0.117 0 C-N-CA 119.39 -0.924 . . . . 0.0 111.116 -179.422 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -64.85 -39.15 93.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.192 0.52 . . . . 0.0 110.667 179.092 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 61.8 mt -67.81 -35.18 78.16 Favored 'General case' 0 CA--C 1.508 -0.649 0 CA-C-N 115.386 -0.825 . . . . 0.0 112.093 -179.096 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.579 ' OD2' ' N ' ' B' ' 66' ' ' ASP . 31.4 t0 -72.18 76.7 0.97 Allowed 'General case' 0 N--CA 1.443 -0.813 0 C-N-CA 118.724 -1.191 . . . . 0.0 111.236 -177.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -63.28 -37.17 86.19 Favored 'General case' 0 CA--C 1.5 -0.946 0 CA-C-O 123.219 1.485 . . . . 0.0 107.335 175.695 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.501 ' OD1' ' OD2' ' B' ' 66' ' ' ASP . 15.6 t-20 -57.28 -38.8 74.48 Favored 'General case' 0 C--N 1.304 -1.379 0 CA-C-N 111.393 -2.639 . . . . 0.0 112.101 179.204 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.467 ' H ' ' CG ' ' B' ' 62' ' ' ASP . . . 86.8 13.1 67.61 Favored Glycine 0 CA--C 1.529 0.943 0 C-N-CA 121.045 -0.598 . . . . 0.0 112.512 178.556 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.579 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 54.2 p30 -89.38 6.35 41.01 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -179.757 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.535 ' O ' ' CE ' ' B' ' 58' ' ' MET . . . 69.0 -1.98 9.48 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.337 -1.105 . . . . 0.0 110.337 179.624 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.497 ' O ' ' OD1' ' B' ' 66' ' ' ASP . 83.8 tt0 -117.45 144.86 44.59 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 47.9 t -96.61 133.29 38.54 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.492 0 C-N-CA 120.162 -0.615 . . . . 0.0 110.866 -176.488 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.553 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 50.4 t0 -99.86 159.46 15.06 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.361 0.6 . . . . 0.0 111.617 -178.675 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.553 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 1.0 OUTLIER -50.76 -44.01 58.47 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.693 -178.746 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.419 ' HG2' HG21 ' A' ' 83' ' ' VAL . 94.1 mt-30 -61.6 -40.34 94.43 Favored 'General case' 0 C--O 1.247 0.949 0 C-N-CA 119.666 -0.813 . . . . 0.0 110.911 178.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.492 ' O ' HG22 ' B' ' 76' ' ' VAL . 86.4 mt-10 -64.29 -42.8 96.21 Favored 'General case' 0 C--O 1.244 0.78 0 CA-C-O 122.509 1.147 . . . . 0.0 109.532 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -63.05 -41.11 99.4 Favored 'General case' 0 C--O 1.24 0.598 0 CA-C-N 114.288 -1.324 . . . . 0.0 110.4 178.389 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.623 HG13 ' HB1' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -60.36 -47.45 92.38 Favored 'Isoleucine or valine' 0 C--O 1.248 1.01 0 CA-C-N 113.701 -1.59 . . . . 0.0 109.751 -178.869 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.492 HG22 ' O ' ' B' ' 73' ' ' GLU . 17.2 m -67.04 -34.89 72.75 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.644 0 C-N-CA 117.713 -1.595 . . . . 0.0 109.31 178.463 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.559 ' O ' HD13 ' B' ' 81' ' ' LEU . 33.9 tp -56.56 -51.71 67.53 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 118.732 -1.187 . . . . 0.0 112.055 178.085 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 34.8 m -68.37 -36.23 74.09 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 C-N-CA 118.465 -1.294 . . . . 0.0 111.799 -178.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.726 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . . . -68.63 -48.67 63.47 Favored 'General case' 0 C--O 1.249 1.055 0 C-N-CA 119.056 -1.058 . . . . 0.0 112.004 -179.342 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.89 -39.79 95.56 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.559 HD13 ' O ' ' B' ' 77' ' ' LEU . 9.5 mp -64.95 -35.08 80.01 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 119.217 -0.993 . . . . 0.0 109.927 176.628 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 36.5 m -62.72 -50.41 71.23 Favored 'General case' 0 C--O 1.247 0.947 0 C-N-CA 119.749 -0.78 . . . . 0.0 111.409 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.416 HG21 ' HG2' ' A' ' 72' ' ' GLN . 13.3 p -63.88 -38.82 83.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 119.112 -1.035 . . . . 0.0 110.672 178.807 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.59 -30.51 71.24 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-O 121.138 0.494 . . . . 0.0 109.995 178.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 25.0 t -68.41 -54.91 13.98 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.517 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -56.12 -41.13 74.81 Favored 'General case' 0 C--O 1.242 0.694 0 C-N-CA 118.792 -1.163 . . . . 0.0 108.688 179.001 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 87' ' ' ASN . . . . . 0.667 ' O ' ' HB2' ' B' ' 91' ' ' GLU . 87.3 m-20 -59.35 -40.7 87.25 Favored 'General case' 0 C--O 1.199 -1.559 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.427 177.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.558 ' O ' ' O ' ' B' ' 91' ' ' GLU . 68.6 t80 -63.48 -39.98 95.89 Favored 'General case' 0 C--N 1.301 -1.514 0 C-N-CA 118.1 -1.44 . . . . 0.0 110.452 178.794 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -64.26 -61.2 2.4 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 120.033 -0.667 . . . . 0.0 112.328 -178.476 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 90' ' ' TRP . . . . . 0.599 ' CE3' ' OH ' ' A' ' 26' ' ' TYR . 21.4 t-105 -69.26 -43.45 73.9 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 119.793 -0.763 . . . . 0.0 111.623 179.064 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 91' ' ' GLU . . . . . 0.667 ' HB2' ' O ' ' B' ' 87' ' ' ASN . 93.9 mt-10 . . . . . 0 C--N 1.317 -0.81 0 CA-C-N 114.391 -1.277 . . . . 0.0 111.713 -179.539 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 . . . . . 0 C--O 1.238 0.46 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.456 ' O ' HD23 ' A' ' 4' ' ' LEU . 5.6 tt -59.65 -41.87 91.53 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 119.032 -1.067 . . . . 0.0 108.172 -178.505 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.602 ' OE2' HD22 ' B' ' 41' ' ' LEU . 71.5 mm-40 -65.84 -36.31 83.11 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.786 177.832 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 42.6 m -58.74 -41.29 86.12 Favored 'General case' 0 C--O 1.238 0.46 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 178.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.72 -46.08 83.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.724 179.125 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 99.4 mtp -59.45 -41.3 89.34 Favored 'General case' 0 C--O 1.247 0.957 0 CA-C-O 121.732 0.777 . . . . 0.0 109.608 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.21 -35.77 82.08 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.987 177.618 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 53.6 m -63.46 -43.12 98.27 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 119.494 -0.882 . . . . 0.0 109.92 179.168 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 36.9 mt -61.58 -42.49 98.92 Favored 'General case' 0 C--O 1.241 0.653 0 C-N-CA 119.16 -1.016 . . . . 0.0 108.703 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.9 mt -61.2 -45.25 98.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.035 178.458 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -62.13 -40.9 97.46 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -179.014 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.9 m -74.41 -41.44 49.81 Favored 'Isoleucine or valine' 0 C--O 1.256 1.441 0 C-N-CA 119.165 -1.014 . . . . 0.0 111.238 -179.365 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -60.37 -47.8 84.49 Favored 'General case' 0 CA--C 1.512 -0.494 0 C-N-CA 119.105 -1.038 . . . . 0.0 109.701 177.31 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -63.9 -34.66 78.46 Favored 'General case' 0 CA--C 1.5 -0.955 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.942 177.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.532 ' O ' ' HB2' ' A' ' 21' ' ' LYS . . . -57.99 -51.78 68.22 Favored 'General case' 0 N--CA 1.434 -1.234 0 C-N-CA 118.532 -1.267 . . . . 0.0 109.513 -178.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.467 ' CD2' ' HG ' ' A' ' 36' ' ' LEU . 25.4 m-70 -79.07 -53.37 7.07 Favored 'General case' 0 C--O 1.242 0.7 0 N-CA-C 114.658 1.355 . . . . 0.0 114.658 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.469 ' OG ' ' O ' ' A' ' 25' ' ' LYS . 25.7 t -57.67 -40.07 78.52 Favored 'General case' 0 CA--C 1.519 -0.222 0 C-N-CA 118.738 -1.185 . . . . 0.0 108.574 -179.478 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.13 -43.68 89.37 Favored Glycine 0 C--N 1.341 0.838 0 CA-C-N 115.197 -0.911 . . . . 0.0 111.544 178.019 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.532 ' HB2' ' O ' ' A' ' 17' ' ' ALA . 5.9 ttpm? -59.52 -42.19 91.67 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.219 -0.592 . . . . 0.0 112.377 -178.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -128.8 148.97 50.91 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 114.028 1.122 . . . . 0.0 114.028 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.17 -133.8 50.8 Favored Glycine 0 N--CA 1.465 0.609 0 CA-C-N 115.062 -0.972 . . . . 0.0 113.312 176.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -79.51 127.93 32.74 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 114.726 -0.737 . . . . 0.0 109.8 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.469 ' O ' ' OG ' ' A' ' 19' ' ' SER . 33.2 mtmt -57.79 -31.94 67.05 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.229 -0.896 . . . . 0.0 112.933 -177.139 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.595 ' OH ' ' CE3' ' B' ' 90' ' ' TRP . 98.8 m-85 -106.3 19.85 19.87 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -177.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.437 ' CG ' ' OE2' ' A' ' 68' ' ' GLU . 16.8 tptm -139.99 143.27 36.39 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.287 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.1 tp -116.31 130.46 56.79 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.905 -176.43 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 35.1 t -102.14 162.34 12.99 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 -179.462 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.7 ttpt -52.1 -46.31 65.2 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-O 121.161 0.505 . . . . 0.0 111.204 -178.297 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.601 ' HG3' ' N ' ' A' ' 32' ' ' GLU . 54.3 pttt -60.4 -48.6 81.03 Favored 'General case' 0 N--CA 1.437 -1.08 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.004 -178.673 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.601 ' N ' ' HG3' ' A' ' 31' ' ' LYS . 93.7 mt-10 -64.13 -52.13 60.61 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.3 -178.122 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.0 pp -60.38 -36.38 77.92 Favored 'General case' 0 CA--C 1.499 -1.008 0 C-N-CA 119.29 -0.964 . . . . 0.0 110.731 -179.076 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.8 tptm -55.79 -36.45 67.4 Favored 'General case' 0 N--CA 1.432 -1.351 0 C-N-CA 117.759 -1.576 . . . . 0.0 107.97 178.644 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.754 ' O ' HG23 ' A' ' 39' ' ' THR . 96.8 mt-10 -75.14 -40.61 59.57 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 179.381 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.747 ' O ' HD23 ' A' ' 36' ' ' LEU . 3.0 tt -65.51 -46.04 81.21 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 120.322 -0.551 . . . . 0.0 111.458 -177.309 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.582 ' O ' ' N ' ' A' ' 41' ' ' LEU . 1.1 mm? -64.44 -41.94 96.27 Favored 'General case' 0 CA--C 1.519 -0.221 0 C-N-CA 118.858 -1.137 . . . . 0.0 110.84 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -64.01 -39.78 94.87 Favored 'General case' 0 C--O 1.231 0.129 0 C-N-CA 120.358 -0.537 . . . . 0.0 111.948 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.754 HG23 ' O ' ' A' ' 35' ' ' GLU . 71.6 p -71.1 -38.5 72.36 Favored 'General case' 0 C--N 1.334 -0.101 0 C-N-CA 119.999 -0.68 . . . . 0.0 111.536 -179.725 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -91.09 -50.77 5.67 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.603 HD22 ' OE2' ' B' ' 5' ' ' GLU . 29.5 mt -107.42 143.12 36.21 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 121.245 0.545 . . . . 0.0 111.57 -179.152 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.1 -66.51 1.08 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.229 178.821 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.29 -37.87 92.5 Favored Glycine 0 CA--C 1.533 1.186 0 CA-C-N 115.663 -0.699 . . . . 0.0 113.834 -179.033 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -60.05 -52.62 64.57 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 118.071 0.935 . . . . 0.0 112.203 -177.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -74.23 -40.89 62.11 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 120.281 -0.567 . . . . 0.0 111.151 178.291 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -61.28 -33.58 73.8 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.611 -0.722 . . . . 0.0 112.071 -179.547 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.63 -32.85 69.43 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -177.576 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 94.7 mm-40 -60.72 -33.77 73.4 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.138 -0.625 . . . . 0.0 109.864 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.5 tttp 71.09 -35.8 0.34 Allowed 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.488 -0.778 . . . . 0.0 112.23 179.407 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -70.15 142.59 52.49 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.305 -0.558 . . . . 0.0 111.231 -179.59 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.8 m -72.72 -30.05 32.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.801 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -86.63 5.3 36.54 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.254 0.55 . . . . 0.0 110.081 179.691 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.618 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -56.62 -38.77 72.54 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.852 -178.656 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.58 HG13 ' N ' ' A' ' 55' ' ' ASP . 7.0 p -60.3 -43.74 94.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.671 0 C-N-CA 119.788 -0.765 . . . . 0.0 110.168 179.223 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.58 ' N ' HG13 ' A' ' 54' ' ' VAL . 91.7 m-20 -61.49 -43.24 99.22 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.059 179.365 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -62.67 -37.52 86.76 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.112 -0.635 . . . . 0.0 109.816 178.346 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 53' ' ' ALA . 68.0 t -64.21 -45.72 95.49 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 CA-C-N 115.699 -0.682 . . . . 0.0 112.733 -178.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.505 ' CE ' ' O ' ' A' ' 67' ' ' GLY . 2.2 ptp -66.66 -33.62 76.06 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 118.818 -1.153 . . . . 0.0 113.113 -178.722 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 35.8 mmtt -59.25 -42.02 90.17 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 119.363 -0.935 . . . . 0.0 112.069 -178.139 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -66.2 -41.44 90.19 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.095 -0.642 . . . . 0.0 110.896 179.298 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.436 ' O ' ' CD ' ' A' ' 73' ' ' GLU . 78.5 mt -68.81 -32.11 71.58 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.82 -1.082 . . . . 0.0 112.741 -179.377 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.611 ' OD2' ' N ' ' A' ' 66' ' ' ASP . 50.7 t0 -74.3 94.13 2.47 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 -175.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 -65.68 -46.85 77.54 Favored 'General case' 0 CA--C 1.509 -0.632 0 CA-C-O 122.613 1.197 . . . . 0.0 110.622 175.494 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 31.5 m120 -59.57 -35.27 73.94 Favored 'General case' 0 C--N 1.304 -1.41 0 CA-C-N 112.493 -2.14 . . . . 0.0 112.183 -178.719 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.505 ' H ' ' CG ' ' A' ' 62' ' ' ASP . . . 86.1 14.91 65.85 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 108.988 -1.645 . . . . 0.0 108.988 -177.729 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.611 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 27.0 p-10 -87.6 6.46 34.42 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 115.085 -0.558 . . . . 0.0 112.279 -179.017 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.564 ' N ' ' OD2' ' A' ' 62' ' ' ASP . . . 64.76 -2.53 2.55 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.198 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.465 ' H ' ' C ' ' A' ' 66' ' ' ASP . 82.5 tt0 -112.8 144.22 42.72 Favored 'General case' 0 C--O 1.241 0.62 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 45.7 t -102.35 132.92 47.39 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.656 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.279 -176.467 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.492 ' C ' ' OD1' ' A' ' 70' ' ' ASP . 39.6 p30 -100.16 171.6 7.7 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.215 0.531 . . . . 0.0 110.352 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -54.51 -45.45 73.3 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.765 -178.477 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -61.87 -41.15 97.51 Favored 'General case' 0 C--O 1.243 0.76 0 C-N-CA 120.054 -0.659 . . . . 0.0 112.163 -179.446 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.447 ' O ' HG22 ' A' ' 76' ' ' VAL . 96.7 mt-10 -64.82 -41.61 95.63 Favored 'General case' 0 C--O 1.243 0.712 0 CA-C-O 122.139 0.971 . . . . 0.0 109.877 179.175 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 68.8 t80 -63.37 -41.36 98.8 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-N 114.933 -1.031 . . . . 0.0 110.241 178.076 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.622 HG13 ' HB1' ' B' ' 79' ' ' ALA . 0.5 OUTLIER -60.16 -47.64 91.24 Favored 'Isoleucine or valine' 0 C--O 1.248 1.003 0 CA-C-N 113.86 -1.518 . . . . 0.0 110.064 -179.013 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.447 HG22 ' O ' ' A' ' 73' ' ' GLU . 13.5 m -67.59 -34.54 68.83 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.495 0 C-N-CA 117.804 -1.559 . . . . 0.0 109.279 178.71 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.56 ' O ' HD13 ' A' ' 81' ' ' LEU . 32.7 tp -56.64 -50.77 71.08 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 118.676 -1.21 . . . . 0.0 111.666 178.116 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 35.2 m -68.44 -36.66 75.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 118.403 -1.319 . . . . 0.0 111.7 -179.019 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.712 ' HB2' ' HB2' ' B' ' 79' ' ' ALA . . . -68.41 -48.2 65.27 Favored 'General case' 0 C--O 1.252 1.218 0 C-N-CA 119.146 -1.022 . . . . 0.0 112.007 -179.453 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.78 -39.84 95.48 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.09 179.544 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.56 HD13 ' O ' ' A' ' 77' ' ' LEU . 9.3 mp -65.3 -35.22 80.33 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 119.302 -0.959 . . . . 0.0 109.965 176.761 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 35.8 m -62.29 -50.63 70.92 Favored 'General case' 0 C--O 1.249 1.072 0 C-N-CA 119.692 -0.803 . . . . 0.0 111.393 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.8 p -63.59 -38.25 81.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 119.175 -1.01 . . . . 0.0 110.548 178.699 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.45 -31.44 72.53 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.236 178.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 4.8 t -69.87 -55.09 10.67 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.881 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.432 HD21 ' C ' ' A' ' 86' ' ' ASN . 0.4 OUTLIER -56.8 -40.93 76.83 Favored 'General case' 0 C--O 1.243 0.713 0 C-N-CA 118.029 -1.468 . . . . 0.0 108.969 179.309 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.652 ' ND2' ' OE1' ' A' ' 91' ' ' GLU . 14.1 t30 -60.49 -37.73 82.0 Favored 'General case' 0 C--O 1.201 -1.493 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 178.25 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.519 ' O ' ' O ' ' A' ' 91' ' ' GLU . 67.7 t80 -60.33 -41.59 93.86 Favored 'General case' 0 C--N 1.313 -0.997 0 C-N-CA 118.712 -1.195 . . . . 0.0 109.432 179.53 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -65.88 -59.7 3.6 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 112.943 0.72 . . . . 0.0 112.943 -179.029 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.597 ' CE3' ' OH ' ' B' ' 26' ' ' TYR . 20.4 t-105 -69.35 -46.26 67.44 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-O 121.885 0.85 . . . . 0.0 111.63 179.599 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.652 ' OE1' ' ND2' ' A' ' 87' ' ' ASN . 36.4 mt-10 . . . . . 0 C--N 1.317 -0.834 0 CA-C-N 114.129 -1.396 . . . . 0.0 111.033 179.396 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 . . . . . 0 C--O 1.239 0.514 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.458 ' O ' HD23 ' B' ' 4' ' ' LEU . 5.6 tt -59.58 -41.99 91.47 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 119.054 -1.058 . . . . 0.0 108.147 -178.522 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 5' ' ' GLU . . . . . 0.603 ' OE2' HD22 ' A' ' 41' ' ' LEU . 71.5 mm-40 -65.76 -36.38 83.39 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.786 177.845 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 44.9 m -58.75 -41.04 85.57 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 178.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.03 -45.96 83.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.64 179.158 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 99.3 mtp -59.53 -41.29 89.67 Favored 'General case' 0 C--O 1.247 0.955 0 CA-C-O 121.664 0.745 . . . . 0.0 109.639 179.714 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.2 -36.46 84.25 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.918 177.678 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 52.5 m -62.69 -43.36 99.02 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 119.487 -0.885 . . . . 0.0 110.088 179.006 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 42.7 mt -61.62 -42.39 98.81 Favored 'General case' 0 C--O 1.241 0.654 0 C-N-CA 119.172 -1.011 . . . . 0.0 108.64 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 98.0 mt -61.15 -45.26 98.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.026 178.442 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -62.16 -40.87 97.43 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 -178.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 15.8 m -74.37 -41.43 50.12 Favored 'Isoleucine or valine' 0 C--O 1.255 1.368 0 C-N-CA 119.189 -1.004 . . . . 0.0 111.27 -179.474 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -60.39 -47.84 84.31 Favored 'General case' 0 CA--C 1.511 -0.535 0 C-N-CA 119.066 -1.054 . . . . 0.0 109.682 177.337 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -63.75 -34.72 78.51 Favored 'General case' 0 CA--C 1.501 -0.931 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.972 177.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.537 ' O ' ' HB2' ' B' ' 21' ' ' LYS . . . -58.03 -51.69 68.63 Favored 'General case' 0 N--CA 1.434 -1.262 0 C-N-CA 118.42 -1.312 . . . . 0.0 109.577 -178.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.485 ' CD2' ' HG ' ' B' ' 36' ' ' LEU . 25.2 m-70 -79.02 -53.42 7.04 Favored 'General case' 0 C--O 1.241 0.623 0 N-CA-C 114.606 1.336 . . . . 0.0 114.606 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.462 ' OG ' ' O ' ' B' ' 25' ' ' LYS . 26.0 t -57.82 -39.99 78.91 Favored 'General case' 0 C--O 1.232 0.182 0 C-N-CA 118.713 -1.195 . . . . 0.0 108.535 -179.395 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.25 -43.55 88.61 Favored Glycine 0 C--N 1.341 0.807 0 CA-C-N 115.23 -0.895 . . . . 0.0 111.557 178.027 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' LYS . . . . . 0.537 ' HB2' ' O ' ' B' ' 17' ' ' ALA . 5.9 ttpm? -59.5 -42.25 91.73 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.232 -0.587 . . . . 0.0 112.352 -179.01 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -128.76 148.94 50.89 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 113.968 1.099 . . . . 0.0 113.968 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.23 -133.72 50.97 Favored Glycine 0 CA--C 1.524 0.635 0 CA-C-N 115.02 -0.991 . . . . 0.0 113.238 176.752 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -79.56 127.97 32.8 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 114.728 -0.736 . . . . 0.0 109.844 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.462 ' O ' ' OG ' ' B' ' 19' ' ' SER . 33.2 mtmt -57.9 -31.87 67.18 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.252 -0.886 . . . . 0.0 112.947 -177.051 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.597 ' OH ' ' CE3' ' A' ' 90' ' ' TRP . 98.9 m-85 -106.18 19.73 20.07 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 113.178 0.807 . . . . 0.0 113.178 -178.002 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.432 ' CG ' ' OE2' ' B' ' 68' ' ' GLU . 16.8 tptm -140.07 143.41 36.3 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 179.276 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 13.1 tp -116.3 130.48 56.8 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.984 -176.433 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 35.2 t -102.21 162.3 13.02 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 122.839 0.456 . . . . 0.0 111.112 -179.482 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 23.6 ttpt -52.02 -46.33 64.94 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-O 121.177 0.513 . . . . 0.0 111.185 -178.28 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.609 ' HG3' ' N ' ' B' ' 32' ' ' GLU . 54.6 pttt -60.49 -48.58 81.13 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.891 -178.586 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.609 ' N ' ' HG3' ' B' ' 31' ' ' LYS . 93.6 mt-10 -64.12 -52.13 60.64 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.261 -178.092 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 2.0 pp -60.41 -36.37 77.98 Favored 'General case' 0 CA--C 1.499 -1.004 0 C-N-CA 119.236 -0.986 . . . . 0.0 110.759 -179.045 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 10.7 tptm -55.83 -36.32 67.36 Favored 'General case' 0 N--CA 1.432 -1.338 0 C-N-CA 117.723 -1.591 . . . . 0.0 107.984 178.647 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.76 ' O ' HG23 ' B' ' 39' ' ' THR . 96.8 mt-10 -75.25 -40.46 58.93 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 112.754 0.649 . . . . 0.0 112.754 179.281 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.746 ' O ' HD23 ' B' ' 36' ' ' LEU . 3.0 tt -65.54 -46.06 81.03 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 120.328 -0.549 . . . . 0.0 111.495 -177.364 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.581 ' O ' ' N ' ' B' ' 41' ' ' LEU . 1.2 mm? -64.44 -41.94 96.28 Favored 'General case' 0 CA--C 1.52 -0.184 0 C-N-CA 118.881 -1.127 . . . . 0.0 110.762 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -64.05 -39.75 94.78 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 120.381 -0.528 . . . . 0.0 111.972 179.58 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.76 HG23 ' O ' ' B' ' 35' ' ' GLU . 70.1 p -71.09 -38.49 72.41 Favored 'General case' 0 N--CA 1.461 0.099 0 C-N-CA 119.979 -0.688 . . . . 0.0 111.585 -179.779 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -91.14 -50.75 5.67 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.689 -0.404 . . . . 0.0 112.008 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.602 HD22 ' OE2' ' A' ' 5' ' ' GLU . 29.3 mt -107.31 143.14 36.0 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.321 0.581 . . . . 0.0 111.617 -179.175 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.15 -66.47 1.08 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.193 178.805 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.34 -37.86 92.54 Favored Glycine 0 CA--C 1.533 1.179 0 CA-C-N 115.721 -0.672 . . . . 0.0 113.828 -179.024 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -60.01 -52.63 64.57 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 118.086 0.943 . . . . 0.0 112.199 -178.002 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -74.2 -40.99 62.11 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 120.307 -0.557 . . . . 0.0 111.088 178.337 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -61.26 -33.6 73.79 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.634 -0.712 . . . . 0.0 112.056 -179.529 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.57 -32.86 69.32 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -177.588 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 94.8 mm-40 -60.76 -33.79 73.48 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.143 -0.623 . . . . 0.0 109.85 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 37.6 tttp 71.14 -35.73 0.34 Allowed 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.482 -0.781 . . . . 0.0 112.191 179.327 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -70.28 142.64 52.25 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.218 -0.593 . . . . 0.0 111.177 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 4.7 m -72.63 -30.13 32.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.861 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -86.6 5.3 36.39 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.23 0.538 . . . . 0.0 110.084 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.624 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -56.59 -38.84 72.56 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.835 -178.693 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.601 HG13 ' N ' ' B' ' 55' ' ' ASP . 7.2 p -60.21 -43.78 94.04 Favored 'Isoleucine or valine' 0 C--O 1.242 0.704 0 C-N-CA 119.783 -0.767 . . . . 0.0 110.173 179.211 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.601 ' N ' HG13 ' B' ' 54' ' ' VAL . 91.7 m-20 -61.49 -43.27 99.16 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.043 179.379 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -62.62 -37.57 86.79 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.101 -0.64 . . . . 0.0 109.757 178.36 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.624 HG23 ' O ' ' B' ' 53' ' ' ALA . 68.2 t -64.16 -45.77 95.44 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 CA-C-N 115.738 -0.665 . . . . 0.0 112.745 -178.827 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.496 ' CE ' ' O ' ' B' ' 67' ' ' GLY . 2.2 ptp -66.57 -33.68 76.2 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 118.821 -1.152 . . . . 0.0 113.162 -178.751 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 35.7 mmtt -59.28 -42.01 90.25 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 119.357 -0.937 . . . . 0.0 112.047 -178.092 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -66.19 -41.42 90.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.486 0.66 . . . . 0.0 110.887 179.28 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.44 ' O ' ' CD ' ' B' ' 73' ' ' GLU . 78.4 mt -68.8 -32.2 71.75 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.869 -1.06 . . . . 0.0 112.701 -179.328 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.604 ' OD2' ' N ' ' B' ' 66' ' ' ASP . 50.8 t0 -74.24 94.11 2.44 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 113.087 0.773 . . . . 0.0 113.087 -175.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 78.7 tt0 -65.76 -46.9 77.07 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-O 122.645 1.212 . . . . 0.0 110.505 175.607 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 31.5 m120 -59.38 -35.33 73.71 Favored 'General case' 0 C--N 1.305 -1.361 0 CA-C-N 112.513 -2.13 . . . . 0.0 112.298 -178.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.501 ' H ' ' CG ' ' B' ' 62' ' ' ASP . . . 86.08 14.9 65.91 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 108.975 -1.65 . . . . 0.0 108.975 -177.683 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.604 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 27.0 p-10 -87.61 6.45 34.5 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 115.151 -0.524 . . . . 0.0 112.358 -179.088 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.498 ' N ' ' OD2' ' B' ' 62' ' ' ASP . . . 64.82 -2.51 2.6 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.091 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.463 ' H ' ' C ' ' B' ' 66' ' ' ASP . 82.5 tt0 -112.79 144.28 42.6 Favored 'General case' 0 C--O 1.24 0.566 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 46.1 t -102.4 133.0 47.29 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.717 0 C-N-CA 120.622 -0.431 . . . . 0.0 111.22 -176.454 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.493 ' OD1' ' C ' ' B' ' 70' ' ' ASP . 39.5 p30 -100.16 171.61 7.7 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 121.251 0.548 . . . . 0.0 110.353 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -54.49 -45.49 73.26 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.7 -178.494 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -61.86 -41.2 97.55 Favored 'General case' 0 C--O 1.244 0.8 0 C-N-CA 120.084 -0.646 . . . . 0.0 112.099 -179.387 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.44 ' CD ' ' O ' ' B' ' 61' ' ' LEU . 96.7 mt-10 -64.88 -41.55 95.54 Favored 'General case' 0 C--O 1.242 0.697 0 CA-C-O 122.092 0.949 . . . . 0.0 109.864 179.226 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -63.45 -41.27 98.65 Favored 'General case' 0 C--O 1.242 0.694 0 CA-C-O 122.219 1.009 . . . . 0.0 110.265 178.057 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.617 HG13 ' HB1' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -60.18 -47.64 91.29 Favored 'Isoleucine or valine' 0 C--O 1.249 1.037 0 CA-C-N 113.858 -1.519 . . . . 0.0 110.047 -179.055 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.44 HG22 ' O ' ' B' ' 73' ' ' GLU . 13.4 m -67.75 -34.42 67.59 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 C-N-CA 117.835 -1.546 . . . . 0.0 109.29 178.716 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.559 ' O ' HD13 ' B' ' 81' ' ' LEU . 32.5 tp -56.68 -50.76 71.18 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 118.62 -1.232 . . . . 0.0 111.638 178.061 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 35.2 m -68.5 -36.54 75.17 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 C-N-CA 118.359 -1.336 . . . . 0.0 111.746 -179.009 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.712 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . . . -68.49 -48.23 64.99 Favored 'General case' 0 C--O 1.251 1.169 0 C-N-CA 119.092 -1.043 . . . . 0.0 111.914 -179.401 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.81 -39.81 95.42 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.597 -0.728 . . . . 0.0 109.042 179.591 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.559 HD13 ' O ' ' B' ' 77' ' ' LEU . 9.2 mp -65.24 -35.3 80.61 Favored 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 119.272 -0.971 . . . . 0.0 109.963 176.755 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 35.6 m -62.31 -50.57 71.13 Favored 'General case' 0 C--O 1.249 1.045 0 C-N-CA 119.634 -0.826 . . . . 0.0 111.343 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 13.6 p -63.58 -38.23 81.69 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 C-N-CA 119.188 -1.005 . . . . 0.0 110.536 178.646 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.46 -31.34 72.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.273 178.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 4.8 t -69.97 -55.05 10.62 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.87 -179.538 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -56.84 -40.82 76.76 Favored 'General case' 0 C--O 1.241 0.646 0 C-N-CA 117.923 -1.511 . . . . 0.0 109.007 179.343 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 87' ' ' ASN . . . . . 0.653 ' ND2' ' OE1' ' B' ' 91' ' ' GLU . 14.0 t30 -60.54 -37.73 82.17 Favored 'General case' 0 C--O 1.201 -1.464 0 N-CA-C 107.75 -1.204 . . . . 0.0 107.75 178.251 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.514 ' O ' ' O ' ' B' ' 91' ' ' GLU . 67.3 t80 -60.17 -41.7 93.41 Favored 'General case' 0 C--N 1.313 -0.985 0 C-N-CA 118.783 -1.167 . . . . 0.0 109.49 179.441 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -65.87 -59.66 3.64 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 112.897 0.703 . . . . 0.0 112.897 -178.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 90' ' ' TRP . . . . . 0.595 ' CE3' ' OH ' ' A' ' 26' ' ' TYR . 20.3 t-105 -69.47 -46.19 67.26 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-O 121.774 0.797 . . . . 0.0 111.601 179.651 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 91' ' ' GLU . . . . . 0.653 ' OE1' ' ND2' ' B' ' 87' ' ' ASN . 36.4 mt-10 . . . . . 0 C--N 1.317 -0.842 0 CA-C-N 114.151 -1.386 . . . . 0.0 111.184 179.274 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 . . . . . 0 C--O 1.233 0.207 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.629 ' O ' HD23 ' A' ' 4' ' ' LEU . 5.3 tt -63.65 -41.98 98.15 Favored 'General case' 0 C--O 1.24 0.556 0 C-N-CA 119.299 -0.96 . . . . 0.0 108.681 -179.304 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.445 ' OE1' ' C ' ' A' ' 5' ' ' GLU . 6.1 tm-20 -63.87 -40.0 95.52 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 114.698 -1.137 . . . . 0.0 109.267 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 44.5 m -60.27 -40.44 90.38 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.305 178.69 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.43 -44.13 95.43 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.04 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 98.8 mtp -59.34 -40.69 87.2 Favored 'General case' 0 C--O 1.248 1.007 0 CA-C-O 121.732 0.777 . . . . 0.0 109.288 178.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -64.82 -35.91 82.63 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.048 177.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 50.9 m -64.22 -43.21 95.66 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 119.779 -0.769 . . . . 0.0 110.167 179.586 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 38.0 mt -62.04 -42.65 99.4 Favored 'General case' 0 C--O 1.243 0.714 0 C-N-CA 119.243 -0.983 . . . . 0.0 109.058 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.561 HG23 ' ND2' ' B' ' 86' ' ' ASN . 97.8 mt -61.99 -45.93 97.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.428 178.596 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -61.98 -41.18 97.74 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 -178.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.8 m -73.31 -41.33 57.61 Favored 'Isoleucine or valine' 0 C--O 1.255 1.355 0 C-N-CA 119.2 -1.0 . . . . 0.0 111.398 -179.452 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -59.94 -47.5 85.52 Favored 'General case' 0 CA--C 1.512 -0.487 0 C-N-CA 118.962 -1.095 . . . . 0.0 109.768 177.427 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -63.31 -35.46 80.43 Favored 'General case' 0 CA--C 1.503 -0.857 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.86 178.204 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.551 ' O ' ' HB2' ' A' ' 21' ' ' LYS . . . -57.2 -51.57 68.8 Favored 'General case' 0 N--CA 1.436 -1.142 0 C-N-CA 118.962 -1.095 . . . . 0.0 109.602 -178.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.47 ' HB2' HD12 ' A' ' 36' ' ' LEU . 46.2 m80 -79.22 -52.3 8.33 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 114.754 1.39 . . . . 0.0 114.754 -179.759 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' A' ' 24' ' ' ASP . 23.1 t -58.34 -40.95 83.51 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 118.864 -1.135 . . . . 0.0 109.184 -179.069 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -71.81 -43.95 49.07 Favored Glycine 0 C--N 1.344 0.979 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.433 178.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.551 ' HB2' ' O ' ' A' ' 17' ' ' ALA . 6.8 ttpm? -58.78 -44.26 90.64 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 120.046 -0.661 . . . . 0.0 112.069 -179.68 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.54 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 84.7 tt0 -135.86 140.47 44.18 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.369 -0.532 . . . . 0.0 111.128 -179.571 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.88 -162.92 52.13 Favored Glycine 0 CA--C 1.521 0.416 0 C-N-CA 120.799 -0.715 . . . . 0.0 111.341 178.451 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.4 ' O ' ' OG ' ' A' ' 19' ' ' SER . 88.3 m-20 -67.4 141.79 56.93 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 178.643 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.499 ' HZ1' ' HH2' ' B' ' 90' ' ' TRP . 32.2 mtmt -60.56 -32.22 71.29 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.075 -0.511 . . . . 0.0 112.201 -177.878 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.6 ' OH ' ' CD2' ' B' ' 90' ' ' TRP . 96.9 m-85 -107.23 19.13 20.78 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 -177.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.3 tptt -137.84 138.15 38.85 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 118.956 -1.098 . . . . 0.0 108.988 178.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.0 tp -113.66 126.28 55.08 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 -178.587 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 87.3 p -98.24 167.63 10.74 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.74 -0.209 . . . . 0.0 110.975 -179.332 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.8 ttpt -53.27 -49.28 67.25 Favored 'General case' 0 C--O 1.241 0.645 0 CA-C-O 121.121 0.486 . . . . 0.0 112.263 -178.023 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.586 ' HG3' ' N ' ' A' ' 32' ' ' GLU . 23.9 pttm -61.48 -48.01 83.06 Favored 'General case' 0 N--CA 1.441 -0.896 0 C-N-CA 120.053 -0.659 . . . . 0.0 110.372 -178.794 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.586 ' N ' ' HG3' ' A' ' 31' ' ' LYS . 94.4 mt-10 -62.69 -49.8 73.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.808 -0.633 . . . . 0.0 112.06 -178.644 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 pp -61.11 -36.68 80.37 Favored 'General case' 0 CA--C 1.499 -1.001 0 C-N-CA 118.673 -1.211 . . . . 0.0 110.095 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.6 tptp -56.0 -36.41 67.89 Favored 'General case' 0 N--CA 1.434 -1.226 0 C-N-CA 118.058 -1.457 . . . . 0.0 108.073 178.389 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.856 ' O ' HG23 ' A' ' 39' ' ' THR . 97.4 mt-10 -73.84 -40.04 63.59 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 112.697 0.628 . . . . 0.0 112.697 179.205 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.755 ' O ' HD23 ' A' ' 36' ' ' LEU . 3.8 tt -65.9 -45.36 82.24 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 119.849 -0.74 . . . . 0.0 111.325 -177.268 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.569 ' O ' ' O ' ' A' ' 41' ' ' LEU . 1.2 mm? -64.48 -43.13 95.15 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 118.76 -1.176 . . . . 0.0 110.937 179.705 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -63.48 -39.32 94.15 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.349 -0.54 . . . . 0.0 111.592 179.461 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.856 HG23 ' O ' ' A' ' 35' ' ' GLU . 66.3 p -71.84 -33.08 68.16 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.726 -0.39 . . . . 0.0 111.558 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -101.65 -60.01 1.6 Allowed 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 -178.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.569 ' O ' ' O ' ' A' ' 37' ' ' LEU . 53.2 mt -99.56 140.73 33.33 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.258 0.552 . . . . 0.0 111.71 -178.83 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -110.72 -60.95 1.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.708 179.52 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.8 -39.52 93.88 Favored Glycine 0 CA--C 1.532 1.107 0 CA-C-N 115.823 -0.626 . . . . 0.0 114.397 -177.744 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -61.54 -52.27 65.16 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 118.124 0.962 . . . . 0.0 112.534 -177.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -73.04 -38.92 66.35 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.292 -0.563 . . . . 0.0 111.55 178.61 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 57.0 t0 -60.46 -30.73 69.85 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.554 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.55 -29.74 62.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 112.098 -177.426 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 90.4 mm-40 -91.41 117.89 30.07 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 119.503 -0.879 . . . . 0.0 110.038 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -63.49 -36.28 83.25 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 -179.013 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -69.89 142.31 53.02 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -177.385 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.3 m -73.93 -26.93 21.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.223 178.492 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -79.75 1.51 26.39 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.18 -0.918 . . . . 0.0 109.612 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.496 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -56.95 -36.72 70.6 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.832 -179.409 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.613 HG13 ' N ' ' A' ' 55' ' ' ASP . 7.7 p -59.75 -44.07 93.02 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 C-N-CA 119.965 -0.694 . . . . 0.0 109.877 178.672 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.613 ' N ' HG13 ' A' ' 54' ' ' VAL . 90.6 m-20 -61.45 -42.3 98.55 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.443 179.133 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 69.2 mttm -60.81 -38.73 86.4 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.003 179.047 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 53' ' ' ALA . 78.2 t -65.11 -44.69 95.56 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.341 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.537 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -69.99 -32.92 71.36 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 114.457 1.28 . . . . 0.0 114.457 -178.642 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 17.0 mtmm -58.41 -41.17 84.36 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 119.714 -0.794 . . . . 0.0 113.064 -177.796 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -72.35 -35.09 68.45 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 119.657 -0.817 . . . . 0.0 110.501 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.468 ' O ' ' CD ' ' A' ' 73' ' ' GLU . 93.0 mt -67.42 -35.08 78.54 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-N 115.78 -0.645 . . . . 0.0 112.567 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.502 ' OD1' ' OD1' ' A' ' 66' ' ' ASP . 47.3 t0 -73.19 90.72 1.6 Allowed 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 118.406 -1.317 . . . . 0.0 111.368 -177.516 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -65.31 -47.52 76.27 Favored 'General case' 0 CA--C 1.509 -0.598 0 CA-C-O 122.676 1.226 . . . . 0.0 111.476 176.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 31.8 m120 -59.61 -34.74 73.15 Favored 'General case' 0 C--N 1.3 -1.564 0 CA-C-N 112.53 -2.123 . . . . 0.0 112.999 -178.126 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 89.19 3.88 75.19 Favored Glycine 0 CA--C 1.529 0.922 0 N-CA-C 107.994 -2.042 . . . . 0.0 107.994 -176.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.638 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 50.1 p30 -61.79 -31.98 72.23 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 113.858 -1.171 . . . . 0.0 112.967 -179.687 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.638 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 99.35 -4.52 58.48 Favored Glycine 0 CA--C 1.521 0.438 0 N-CA-C 109.026 -1.63 . . . . 0.0 109.026 -178.175 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.515 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 55.8 mp0 -112.85 154.84 25.67 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-N 114.493 -0.853 . . . . 0.0 110.908 178.096 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 46.8 t -106.83 131.2 57.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 177.791 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.501 ' C ' ' OD1' ' A' ' 70' ' ' ASP . 24.8 p30 -101.54 171.23 7.69 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 119.842 -0.743 . . . . 0.0 110.565 -178.685 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -53.48 -44.92 69.37 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.094 -178.508 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -62.1 -40.94 97.55 Favored 'General case' 0 C--O 1.241 0.637 0 C-N-CA 120.379 -0.528 . . . . 0.0 112.203 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.468 ' CD ' ' O ' ' A' ' 61' ' ' LEU . 92.4 mt-10 -65.04 -41.44 95.21 Favored 'General case' 0 C--O 1.241 0.611 0 CA-C-O 122.2 1.0 . . . . 0.0 109.658 179.538 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -63.51 -41.45 98.51 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-N 114.68 -1.145 . . . . 0.0 109.985 178.322 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.607 HG13 ' HB1' ' B' ' 79' ' ' ALA . 0.5 OUTLIER -60.31 -47.79 90.88 Favored 'Isoleucine or valine' 0 C--O 1.247 0.925 0 CA-C-N 113.813 -1.54 . . . . 0.0 110.236 -178.945 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.429 HG22 ' O ' ' A' ' 73' ' ' GLU . 13.4 m -68.15 -34.07 64.44 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 C-N-CA 118.021 -1.472 . . . . 0.0 109.229 178.818 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.73 ' O ' HD13 ' A' ' 81' ' ' LEU . 23.9 tp -57.16 -51.09 70.7 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 118.819 -1.152 . . . . 0.0 111.391 178.514 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.411 ' O ' ' OG1' ' A' ' 82' ' ' THR . 34.3 m -68.79 -36.44 74.27 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 C-N-CA 118.6 -1.24 . . . . 0.0 111.781 -179.272 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.706 ' HB2' ' HB2' ' B' ' 79' ' ' ALA . . . -68.47 -49.21 61.45 Favored 'General case' 0 C--O 1.251 1.136 0 C-N-CA 119.113 -1.035 . . . . 0.0 111.882 -179.22 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.01 -38.95 93.23 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 179.457 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.73 HD13 ' O ' ' A' ' 77' ' ' LEU . 10.3 mp -65.57 -34.36 78.07 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 119.152 -1.019 . . . . 0.0 109.713 176.671 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 34.5 m -62.68 -50.56 70.68 Favored 'General case' 0 C--O 1.247 0.934 0 C-N-CA 119.9 -0.72 . . . . 0.0 111.127 179.738 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.4 p -64.06 -39.8 86.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 119.14 -1.024 . . . . 0.0 110.986 179.143 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.91 -30.17 70.72 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 121.044 0.45 . . . . 0.0 110.064 178.657 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 24.3 t -68.48 -55.41 11.86 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.821 -179.547 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.42 HD21 ' C ' ' A' ' 86' ' ' ASN . 0.4 OUTLIER -56.96 -40.61 76.8 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 118.375 -1.33 . . . . 0.0 108.765 179.184 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -59.07 -38.49 79.57 Favored 'General case' 0 CA--C 1.522 -0.124 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.792 178.12 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.546 ' O ' ' O ' ' A' ' 91' ' ' GLU . 67.7 t80 -63.89 -45.87 87.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.312 179.678 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -64.42 -51.65 62.08 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.402 -0.519 . . . . 0.0 111.857 -178.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.591 ' CD2' ' OH ' ' B' ' 26' ' ' TYR . 22.2 t-105 -65.59 -39.81 92.02 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-O 121.216 0.531 . . . . 0.0 112.113 179.504 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.546 ' O ' ' O ' ' A' ' 88' ' ' PHE . 3.7 tm-20 . . . . . 0 C--N 1.321 -0.635 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.835 -176.791 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 . . . . . 0 C--O 1.234 0.256 0 N-CA-C 112.408 0.522 . . . . 0.0 112.408 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.622 ' O ' HD23 ' B' ' 4' ' ' LEU . 5.3 tt -63.57 -42.04 98.35 Favored 'General case' 0 C--O 1.24 0.575 0 C-N-CA 119.388 -0.925 . . . . 0.0 108.714 -179.358 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 5' ' ' GLU . . . . . 0.454 ' C ' ' OE1' ' B' ' 5' ' ' GLU . 6.1 tm-20 -63.85 -39.96 95.46 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 114.654 -1.157 . . . . 0.0 109.23 179.705 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 45.7 m -60.51 -40.14 90.33 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.284 178.781 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.68 -44.09 94.75 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.063 179.498 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 98.7 mtp -59.25 -40.83 87.21 Favored 'General case' 0 C--O 1.248 0.978 0 CA-C-O 121.713 0.768 . . . . 0.0 109.33 178.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -64.79 -36.46 84.38 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.272 -0.876 . . . . 0.0 109.981 178.101 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 48.3 m -63.49 -43.5 97.09 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 119.814 -0.754 . . . . 0.0 110.347 179.304 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 43.1 mt -62.03 -42.55 99.3 Favored 'General case' 0 C--O 1.242 0.661 0 C-N-CA 119.3 -0.96 . . . . 0.0 109.074 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.401 HG23 ' OD1' ' A' ' 86' ' ' ASN . 97.9 mt -61.92 -45.97 97.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.395 -0.821 . . . . 0.0 111.424 178.556 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -62.0 -41.27 97.87 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 -178.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 14.9 m -73.22 -41.37 58.19 Favored 'Isoleucine or valine' 0 C--O 1.256 1.423 0 C-N-CA 119.144 -1.023 . . . . 0.0 111.419 -179.468 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -59.9 -47.49 85.56 Favored 'General case' 0 CA--C 1.512 -0.488 0 C-N-CA 118.929 -1.108 . . . . 0.0 109.867 177.39 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -63.19 -35.54 80.65 Favored 'General case' 0 CA--C 1.503 -0.846 0 CA-C-N 115.241 -0.89 . . . . 0.0 109.798 178.135 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.558 ' O ' ' HB2' ' B' ' 21' ' ' LYS . . . -57.27 -51.47 69.23 Favored 'General case' 0 N--CA 1.437 -1.118 0 C-N-CA 118.875 -1.13 . . . . 0.0 109.641 -178.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.505 ' HB2' HD12 ' B' ' 36' ' ' LEU . 46.0 m80 -79.07 -52.51 8.11 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 114.737 1.384 . . . . 0.0 114.737 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.411 ' OG ' ' O ' ' B' ' 25' ' ' LYS . 23.1 t -58.23 -41.05 83.26 Favored 'General case' 0 C--N 1.34 0.169 0 C-N-CA 118.827 -1.149 . . . . 0.0 109.276 -179.072 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -71.7 -44.04 49.82 Favored Glycine 0 C--N 1.344 0.977 0 CA-C-N 115.497 -0.774 . . . . 0.0 112.461 178.796 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' LYS . . . . . 0.558 ' HB2' ' O ' ' B' ' 17' ' ' ALA . 6.8 ttpm? -58.79 -44.2 90.65 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 120.015 -0.674 . . . . 0.0 112.086 -179.654 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.533 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 84.7 tt0 -135.84 140.57 44.29 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.279 -0.568 . . . . 0.0 111.086 -179.579 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.83 -162.9 52.17 Favored Glycine 0 CA--C 1.521 0.428 0 C-N-CA 120.823 -0.703 . . . . 0.0 111.399 178.411 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -67.39 141.74 56.96 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 178.593 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.412 ' HZ1' ' HH2' ' A' ' 90' ' ' TRP . 32.3 mtmt -60.58 -32.18 71.29 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.105 -0.498 . . . . 0.0 112.194 -177.83 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.591 ' OH ' ' CD2' ' A' ' 90' ' ' TRP . 96.9 m-85 -107.22 19.18 20.72 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 -177.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 28.5 tptt -137.85 138.11 38.8 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 118.943 -1.103 . . . . 0.0 109.032 178.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 14.0 tp -113.55 126.28 55.12 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 -178.632 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 87.2 p -98.29 167.59 10.76 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.507 0.194 . . . . 0.0 110.898 -179.324 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 24.8 ttpt -53.21 -49.29 67.05 Favored 'General case' 0 C--O 1.241 0.632 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -178.009 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.58 ' HG3' ' N ' ' B' ' 32' ' ' GLU . 23.7 pttm -61.55 -48.03 82.86 Favored 'General case' 0 N--CA 1.441 -0.878 0 C-N-CA 120.102 -0.639 . . . . 0.0 110.262 -178.697 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.58 ' N ' ' HG3' ' B' ' 31' ' ' LYS . 94.4 mt-10 -62.64 -49.8 73.73 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.165 -0.614 . . . . 0.0 111.985 -178.628 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 pp -61.19 -36.64 80.42 Favored 'General case' 0 CA--C 1.499 -0.983 0 C-N-CA 118.673 -1.211 . . . . 0.0 110.066 -179.627 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 15.6 tptp -56.02 -36.33 67.84 Favored 'General case' 0 N--CA 1.435 -1.196 0 C-N-CA 118.083 -1.447 . . . . 0.0 108.074 178.421 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.877 ' O ' HG23 ' B' ' 39' ' ' THR . 97.4 mt-10 -73.96 -39.95 63.38 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 179.177 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.746 ' O ' HD23 ' B' ' 36' ' ' LEU . 3.9 tt -65.87 -45.38 82.31 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 119.809 -0.756 . . . . 0.0 111.314 -177.308 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.563 ' O ' ' O ' ' B' ' 41' ' ' LEU . 1.2 mm? -64.53 -43.07 95.17 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 118.682 -1.207 . . . . 0.0 110.942 179.758 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -63.46 -39.23 93.9 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 120.316 -0.554 . . . . 0.0 111.678 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.877 HG23 ' O ' ' B' ' 35' ' ' GLU . 67.7 p -71.91 -33.09 68.02 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.686 -0.405 . . . . 0.0 111.574 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -101.65 -59.99 1.61 Allowed 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 -178.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.563 ' O ' ' O ' ' B' ' 37' ' ' LEU . 53.3 mt -99.55 140.78 33.24 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.317 0.58 . . . . 0.0 111.798 -178.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -110.82 -60.95 1.75 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.679 179.614 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.86 -39.45 93.93 Favored Glycine 0 CA--C 1.531 1.04 0 CA-C-N 115.886 -0.597 . . . . 0.0 114.426 -177.76 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -61.57 -52.23 65.28 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 118.16 0.98 . . . . 0.0 112.539 -178.051 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -73.06 -38.88 66.3 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.321 -0.552 . . . . 0.0 111.544 178.626 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -60.54 -30.73 69.94 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.587 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.46 -29.83 62.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.061 -0.518 . . . . 0.0 112.137 -177.518 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -91.38 118.04 30.19 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 119.453 -0.899 . . . . 0.0 110.023 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -63.59 -36.25 83.19 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 113.796 1.035 . . . . 0.0 113.796 -179.052 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -69.86 142.31 53.07 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -177.409 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 4.4 m -73.94 -26.88 21.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.228 178.501 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -79.82 1.52 26.57 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.531 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.492 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -56.95 -36.74 70.63 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.9 -179.399 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.624 HG13 ' N ' ' B' ' 55' ' ' ASP . 7.8 p -59.7 -43.96 92.58 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 C-N-CA 119.873 -0.731 . . . . 0.0 109.96 178.625 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.624 ' N ' HG13 ' B' ' 54' ' ' VAL . 90.7 m-20 -61.57 -42.25 98.57 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.479 179.138 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -60.85 -38.64 86.21 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.028 179.011 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.492 HG23 ' O ' ' B' ' 53' ' ' ALA . 77.9 t -65.17 -44.71 95.33 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.319 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.514 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -69.96 -32.94 71.44 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 -178.639 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 17.0 mtmm -58.49 -41.13 84.61 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 119.768 -0.773 . . . . 0.0 113.026 -177.71 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -72.35 -35.09 68.44 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 119.616 -0.834 . . . . 0.0 110.493 179.614 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.465 ' O ' ' CD ' ' B' ' 73' ' ' GLU . 92.8 mt -67.38 -35.12 78.69 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.602 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.509 ' OD1' ' OD1' ' B' ' 66' ' ' ASP . 47.1 t0 -73.09 90.64 1.55 Allowed 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 118.412 -1.315 . . . . 0.0 111.393 -177.531 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -65.37 -47.47 76.3 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 122.59 1.186 . . . . 0.0 111.415 176.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 31.8 m120 -59.65 -34.68 73.13 Favored 'General case' 0 C--N 1.3 -1.587 0 CA-C-N 112.565 -2.107 . . . . 0.0 113.036 -178.127 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 89.25 3.73 75.22 Favored Glycine 0 CA--C 1.528 0.896 0 N-CA-C 108.003 -2.039 . . . . 0.0 108.003 -176.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.65 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 50.1 p30 -61.74 -31.96 72.17 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 113.85 -1.175 . . . . 0.0 113.041 -179.673 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.65 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 99.51 -4.71 58.32 Favored Glycine 0 CA--C 1.521 0.442 0 N-CA-C 109.004 -1.638 . . . . 0.0 109.004 -178.189 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.489 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 55.8 mp0 -112.86 154.72 25.87 Favored 'General case' 0 C--O 1.241 0.613 0 CA-C-N 114.531 -0.835 . . . . 0.0 110.965 178.208 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 46.6 t -106.69 131.19 57.16 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 177.8 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.494 ' OD1' ' C ' ' B' ' 70' ' ' ASP . 25.5 p30 -101.34 171.21 7.73 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 119.836 -0.746 . . . . 0.0 110.601 -178.732 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -53.6 -44.77 69.69 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.09 -178.597 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -62.13 -41.05 97.88 Favored 'General case' 0 C--O 1.242 0.669 0 C-N-CA 120.401 -0.52 . . . . 0.0 112.235 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.465 ' CD ' ' O ' ' B' ' 61' ' ' LEU . 92.4 mt-10 -64.95 -41.45 95.49 Favored 'General case' 0 C--O 1.24 0.565 0 CA-C-O 122.253 1.025 . . . . 0.0 109.671 179.529 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 59.7 t80 -63.49 -41.41 98.55 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-N 114.666 -1.152 . . . . 0.0 110.015 178.329 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.606 HG13 ' HB1' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -60.31 -47.84 90.7 Favored 'Isoleucine or valine' 0 C--O 1.247 0.931 0 CA-C-N 113.766 -1.561 . . . . 0.0 110.245 -178.924 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.418 HG22 ' O ' ' B' ' 73' ' ' GLU . 13.1 m -68.04 -34.17 65.33 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 C-N-CA 118.024 -1.47 . . . . 0.0 109.273 178.721 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.738 ' O ' HD13 ' B' ' 81' ' ' LEU . 23.8 tp -57.08 -51.14 70.47 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 118.793 -1.163 . . . . 0.0 111.456 178.537 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 34.3 m -68.77 -36.37 73.99 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 C-N-CA 118.557 -1.257 . . . . 0.0 111.822 -179.306 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.706 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . . . -68.44 -49.24 61.36 Favored 'General case' 0 C--O 1.251 1.144 0 C-N-CA 119.121 -1.032 . . . . 0.0 111.935 -179.279 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.01 -38.85 92.83 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.738 HD13 ' O ' ' B' ' 77' ' ' LEU . 10.2 mp -65.59 -34.5 78.39 Favored 'General case' 0 C--O 1.217 -0.655 0 C-N-CA 119.154 -1.018 . . . . 0.0 109.67 176.643 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 34.2 m -62.59 -50.53 70.91 Favored 'General case' 0 C--O 1.246 0.896 0 C-N-CA 119.872 -0.731 . . . . 0.0 111.075 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 13.2 p -64.11 -39.7 86.43 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 119.135 -1.026 . . . . 0.0 111.029 179.161 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.95 -30.18 70.71 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.062 178.575 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 24.0 t -68.43 -55.47 11.78 Favored 'General case' 0 CA--C 1.509 -0.608 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.836 -179.548 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.561 ' ND2' HG23 ' A' ' 12' ' ' ILE . 53.9 t-20 -56.96 -40.62 76.8 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 118.362 -1.335 . . . . 0.0 108.725 179.204 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -59.18 -38.29 79.43 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.805 178.22 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.545 ' O ' ' O ' ' B' ' 91' ' ' GLU . 67.8 t80 -63.93 -45.91 87.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.289 179.6 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -64.39 -51.75 61.66 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.416 -0.514 . . . . 0.0 111.773 -178.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 90' ' ' TRP . . . . . 0.6 ' CD2' ' OH ' ' A' ' 26' ' ' TYR . 21.9 t-105 -65.61 -39.68 91.78 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-O 121.181 0.515 . . . . 0.0 112.142 179.572 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 91' ' ' GLU . . . . . 0.545 ' O ' ' O ' ' B' ' 88' ' ' PHE . 3.7 tm-20 . . . . . 0 C--N 1.322 -0.618 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.86 -176.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 78.1 tt0 . . . . . 0 C--O 1.245 0.843 0 CA-C-O 120.871 0.367 . . . . 0.0 111.847 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.496 ' O ' HD23 ' A' ' 4' ' ' LEU . 6.3 tt -54.55 -41.2 69.5 Favored 'General case' 0 C--O 1.242 0.683 0 N-CA-C 107.713 -1.217 . . . . 0.0 107.713 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.6 ' OE2' HD22 ' B' ' 41' ' ' LEU . 71.7 mm-40 -64.38 -35.72 81.82 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.349 177.851 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 43.6 m -58.24 -42.1 85.62 Favored 'General case' 0 C--O 1.238 0.481 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 178.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.18 -44.22 92.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.576 178.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 99.2 mtp -59.38 -41.19 88.76 Favored 'General case' 0 C--O 1.249 1.078 0 CA-C-O 121.816 0.817 . . . . 0.0 109.621 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -64.76 -35.55 81.45 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-N 115.133 -0.94 . . . . 0.0 109.459 177.64 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 55.3 m -63.34 -43.44 97.72 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 119.2 -1.0 . . . . 0.0 110.39 179.06 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 38.2 mt -61.03 -42.56 98.71 Favored 'General case' 0 C--O 1.241 0.632 0 C-N-CA 119.101 -1.04 . . . . 0.0 108.459 -179.685 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.9 mt -61.12 -45.55 98.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.261 178.406 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -62.49 -41.52 98.86 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 113.237 0.828 . . . . 0.0 113.237 -178.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.424 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 14.4 m -73.54 -41.99 55.91 Favored 'Isoleucine or valine' 0 C--O 1.26 1.618 0 C-N-CA 119.195 -1.002 . . . . 0.0 110.822 -179.448 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -60.63 -46.59 89.71 Favored 'General case' 0 CA--C 1.509 -0.613 0 C-N-CA 119.39 -0.924 . . . . 0.0 109.381 177.273 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -62.04 -36.42 81.56 Favored 'General case' 0 CA--C 1.503 -0.853 0 CA-C-N 114.997 -1.001 . . . . 0.0 109.756 178.165 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.552 ' O ' ' HB2' ' A' ' 21' ' ' LYS . . . -57.39 -51.27 70.08 Favored 'General case' 0 N--CA 1.435 -1.206 0 C-N-CA 119.065 -1.054 . . . . 0.0 109.598 -178.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.481 ' HB2' HD12 ' A' ' 36' ' ' LEU . 30.4 m80 -79.27 -52.58 7.94 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 114.809 1.411 . . . . 0.0 114.809 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.479 ' OG ' ' O ' ' A' ' 24' ' ' ASP . 20.0 t -58.31 -40.19 81.39 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 119.319 -0.952 . . . . 0.0 109.498 -178.733 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.17 -44.96 27.28 Favored Glycine 0 C--N 1.345 1.07 0 CA-C-N 115.847 -0.615 . . . . 0.0 112.468 178.692 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.552 ' HB2' ' O ' ' A' ' 17' ' ' ALA . 6.7 ttpm? -58.18 -44.07 87.83 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 120.183 -0.607 . . . . 0.0 111.802 -179.64 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.535 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 84.7 tt0 -133.33 137.06 45.76 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.204 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.57 -164.16 53.97 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 178.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.479 ' O ' ' OG ' ' A' ' 19' ' ' SER . 88.3 m-20 -70.08 142.97 52.57 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 178.62 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.451 ' C ' ' OG ' ' A' ' 19' ' ' SER . 51.0 mttm -60.54 -32.95 71.98 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.82 0.819 . . . . 0.0 110.344 -178.785 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.595 ' OH ' ' CE3' ' B' ' 90' ' ' TRP . 97.9 m-85 -102.71 15.9 27.99 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 114.666 -1.152 . . . . 0.0 112.939 -175.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.575 ' NZ ' ' OD2' ' A' ' 66' ' ' ASP . 5.1 tptt -140.8 138.39 34.03 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 118.948 -1.101 . . . . 0.0 109.39 178.745 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.3 tp -113.43 129.55 56.52 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 -178.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.4 t -102.11 159.59 15.25 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.662 -0.245 . . . . 0.0 110.456 -179.133 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.9 ttpt -52.35 -46.78 66.27 Favored 'General case' 0 C--O 1.239 0.541 0 C-N-CA 120.439 -0.504 . . . . 0.0 111.231 -178.172 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.581 ' HG3' ' N ' ' A' ' 32' ' ' GLU . 21.7 pttm -60.36 -48.25 82.55 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.116 -178.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.581 ' N ' ' HG3' ' A' ' 31' ' ' LYS . 94.7 mt-10 -62.97 -48.48 78.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.031 -178.653 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 pp -62.25 -34.3 76.26 Favored 'General case' 0 CA--C 1.497 -1.082 0 C-N-CA 118.699 -1.2 . . . . 0.0 110.368 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.475 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 0.8 OUTLIER -54.92 -36.67 65.5 Favored 'General case' 0 N--CA 1.435 -1.211 0 C-N-CA 117.743 -1.583 . . . . 0.0 107.583 178.25 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.857 ' O ' HG23 ' A' ' 39' ' ' THR . 97.2 mt-10 -75.62 -41.31 54.66 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 178.812 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.75 ' O ' HD23 ' A' ' 36' ' ' LEU . 2.4 tt -66.19 -46.77 76.13 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 120.097 -0.641 . . . . 0.0 111.879 -176.839 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.583 ' N ' ' CD2' ' A' ' 37' ' ' LEU . 1.2 mm? -65.01 -41.75 95.06 Favored 'General case' 0 CA--C 1.52 -0.206 0 C-N-CA 118.611 -1.235 . . . . 0.0 110.872 -179.657 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.475 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 25.7 mt-30 -64.34 -39.78 94.56 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.418 -0.513 . . . . 0.0 111.924 179.425 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.857 HG23 ' O ' ' A' ' 35' ' ' GLU . 63.9 p -70.97 -39.24 72.64 Favored 'General case' 0 C--N 1.334 -0.105 0 C-N-CA 120.215 -0.594 . . . . 0.0 111.568 -179.659 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -90.87 -48.98 6.69 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.69 -0.404 . . . . 0.0 111.908 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.599 HD22 ' OE2' ' B' ' 5' ' ' GLU . 26.3 mt -107.62 142.5 37.47 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.24 0.543 . . . . 0.0 111.377 -179.403 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.7 t -115.87 -65.86 1.14 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.329 178.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.85 -38.03 91.64 Favored Glycine 0 CA--C 1.532 1.104 0 CA-C-N 115.73 -0.668 . . . . 0.0 113.712 -179.082 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -60.77 -53.41 57.69 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 117.954 0.877 . . . . 0.0 112.132 -178.043 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -74.24 -39.71 62.87 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 120.36 -0.536 . . . . 0.0 111.068 178.302 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -61.34 -30.03 70.26 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.503 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.83 -29.29 59.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.118 -0.492 . . . . 0.0 112.012 -177.308 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -90.08 118.96 30.02 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 119.467 -0.893 . . . . 0.0 109.687 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.1 tttp -62.72 -39.69 94.86 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 -178.725 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -70.36 142.41 52.13 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 -177.401 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.6 m -73.01 -27.62 24.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 178.26 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -72.54 -6.27 42.75 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 114.887 -1.051 . . . . 0.0 109.391 179.101 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.422 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -55.44 -37.75 68.11 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.198 -178.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.584 HG13 ' N ' ' A' ' 55' ' ' ASP . 9.9 p -59.95 -42.99 91.3 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 C-N-CA 119.609 -0.836 . . . . 0.0 109.888 178.285 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.584 ' N ' HG13 ' A' ' 54' ' ' VAL . 88.3 m-20 -61.52 -42.36 98.69 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.652 179.485 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 53.4 mttp -60.95 -39.16 88.44 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.254 -0.578 . . . . 0.0 110.237 179.248 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 53' ' ' ALA . 75.0 t -66.15 -45.09 91.15 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.499 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.418 -179.615 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.401 ' HG3' ' N ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER -70.72 -35.86 72.93 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 114.506 1.299 . . . . 0.0 114.506 -178.142 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.401 ' N ' ' HG3' ' A' ' 58' ' ' MET . 28.7 mmtm -60.47 -40.44 91.23 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 119.852 -0.739 . . . . 0.0 112.94 -179.115 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -71.24 -35.76 71.55 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 119.425 -0.91 . . . . 0.0 110.435 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 63' ' ' GLU . 97.6 mt -67.16 -36.14 81.19 Favored 'General case' 0 CA--C 1.509 -0.616 0 CA-C-N 116.001 -0.545 . . . . 0.0 112.028 179.447 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.409 ' CG ' ' H ' ' A' ' 65' ' ' GLY . 44.3 t0 -71.51 71.39 0.68 Allowed 'General case' 0 N--CA 1.444 -0.74 0 C-N-CA 118.312 -1.355 . . . . 0.0 110.634 -178.399 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 61' ' ' LEU . 86.8 tt0 -62.71 -36.99 84.77 Favored 'General case' 0 CA--C 1.497 -1.07 0 N-CA-C 107.15 -1.426 . . . . 0.0 107.15 175.867 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.481 ' OD1' ' OD2' ' A' ' 66' ' ' ASP . 17.7 t-20 -57.31 -39.6 76.15 Favored 'General case' 0 N--CA 1.429 -1.488 0 CA-C-N 111.582 -2.553 . . . . 0.0 111.275 178.834 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.409 ' H ' ' CG ' ' A' ' 62' ' ' ASP . . . 80.07 18.49 71.99 Favored Glycine 0 CA--C 1.529 0.935 0 C-N-CA 121.314 -0.47 . . . . 0.0 112.781 178.069 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.575 ' OD2' ' NZ ' ' A' ' 27' ' ' LYS . 53.8 p30 -88.79 2.02 54.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 117.41 0.605 . . . . 0.0 112.328 -179.716 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 86.46 -2.48 87.41 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.519 -1.033 . . . . 0.0 110.519 178.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.509 ' OE1' ' O ' ' A' ' 66' ' ' ASP . 55.9 mp0 -122.09 161.14 23.61 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 115.38 -0.41 . . . . 0.0 110.398 179.594 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 47.9 t -101.82 130.26 51.8 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 N-CA-C 106.326 -1.731 . . . . 0.0 106.326 176.089 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.524 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 49.6 t0 -99.94 161.88 13.34 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.233 0.54 . . . . 0.0 111.823 -177.133 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.524 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 1.0 OUTLIER -50.36 -44.66 54.7 Favored 'General case' 0 C--O 1.217 -0.654 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.695 -178.451 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.425 ' HG2' HG21 ' B' ' 83' ' ' VAL . 94.3 mt-30 -61.98 -40.37 95.38 Favored 'General case' 0 C--O 1.244 0.814 0 C-N-CA 119.731 -0.788 . . . . 0.0 110.741 178.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.506 ' O ' HG22 ' A' ' 76' ' ' VAL . 76.1 mt-10 -64.15 -42.97 96.55 Favored 'General case' 0 C--O 1.244 0.798 0 CA-C-O 122.53 1.157 . . . . 0.0 109.733 -179.759 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -63.34 -41.02 98.85 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 114.232 -1.349 . . . . 0.0 110.256 178.592 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.636 HG13 ' HB1' ' B' ' 79' ' ' ALA . 0.5 OUTLIER -59.91 -47.72 90.51 Favored 'Isoleucine or valine' 0 C--O 1.247 0.972 0 CA-C-N 113.771 -1.559 . . . . 0.0 109.661 -178.957 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.506 HG22 ' O ' ' A' ' 73' ' ' GLU . 17.1 m -67.13 -34.71 71.34 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.587 0 C-N-CA 117.794 -1.563 . . . . 0.0 109.466 178.563 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.692 ' O ' HD13 ' A' ' 81' ' ' LEU . 25.7 tp -57.59 -50.25 73.73 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 118.826 -1.15 . . . . 0.0 111.866 178.518 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 35.1 m -69.02 -36.0 71.69 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.254 0 C-N-CA 118.658 -1.217 . . . . 0.0 111.587 -179.223 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.725 ' HB2' ' HB2' ' B' ' 79' ' ' ALA . . . -68.48 -48.03 65.54 Favored 'General case' 0 C--O 1.248 0.996 0 C-N-CA 118.996 -1.082 . . . . 0.0 111.691 -179.301 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.26 -39.79 95.57 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.13 179.575 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.692 HD13 ' O ' ' A' ' 77' ' ' LEU . 10.3 mp -65.27 -34.77 79.13 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 119.425 -0.91 . . . . 0.0 109.909 176.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 35.9 m -63.47 -50.3 70.26 Favored 'General case' 0 C--O 1.245 0.852 0 C-N-CA 119.845 -0.742 . . . . 0.0 111.454 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.459 ' O ' ' OD1' ' A' ' 87' ' ' ASN . 13.7 p -63.74 -38.93 83.59 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 C-N-CA 119.042 -1.063 . . . . 0.0 110.524 178.742 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.51 -30.62 71.4 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.832 178.729 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 38.7 t -67.57 -54.31 20.94 Favored 'General case' 0 CA--C 1.51 -0.588 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.43 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -55.9 -41.07 73.96 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 118.635 -1.226 . . . . 0.0 108.563 178.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.459 ' OD1' ' O ' ' A' ' 83' ' ' VAL . 25.1 m120 -59.22 -38.24 79.46 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.768 178.18 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -63.42 -46.97 83.89 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.936 179.616 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -62.87 -49.6 74.23 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -178.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.587 ' CE3' ' OH ' ' B' ' 26' ' ' TYR . 11.0 t-105 -71.75 -51.1 24.47 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-O 121.296 0.569 . . . . 0.0 112.421 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.447 ' OE1' ' C ' ' A' ' 91' ' ' GLU . 7.9 tm-20 . . . . . 0 C--N 1.313 -1.001 0 CA-C-N 115.229 -0.896 . . . . 0.0 112.135 -177.495 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 . . . . . 0 C--O 1.246 0.901 0 CA-C-O 120.792 0.33 . . . . 0.0 111.791 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.494 ' O ' HD23 ' B' ' 4' ' ' LEU . 6.3 tt -54.54 -41.23 69.49 Favored 'General case' 0 C--O 1.243 0.718 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 5' ' ' GLU . . . . . 0.599 ' OE2' HD22 ' A' ' 41' ' ' LEU . 71.5 mm-40 -64.41 -35.67 81.67 Favored 'General case' 0 CA--C 1.512 -0.501 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.426 177.841 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 42.7 m -58.28 -41.9 85.36 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 178.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.36 -44.14 92.36 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.573 178.767 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 99.2 mtp -59.45 -41.17 89.05 Favored 'General case' 0 C--O 1.25 1.107 0 CA-C-O 121.77 0.795 . . . . 0.0 109.642 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -64.69 -36.2 83.52 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.372 177.7 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 54.0 m -62.56 -43.77 97.99 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 119.329 -0.948 . . . . 0.0 110.438 178.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 42.4 mt -60.99 -42.41 98.33 Favored 'General case' 0 C--O 1.241 0.608 0 C-N-CA 119.07 -1.052 . . . . 0.0 108.545 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.8 mt -61.27 -45.51 98.46 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.131 178.5 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -62.46 -41.54 98.83 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -178.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.428 ' O ' ' HB3' ' B' ' 17' ' ' ALA . 14.5 m -73.66 -41.85 55.07 Favored 'Isoleucine or valine' 0 C--O 1.26 1.617 0 C-N-CA 119.17 -1.012 . . . . 0.0 110.793 -179.382 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -60.68 -46.63 89.63 Favored 'General case' 0 CA--C 1.508 -0.636 0 C-N-CA 119.348 -0.941 . . . . 0.0 109.414 177.19 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -61.94 -36.4 81.27 Favored 'General case' 0 CA--C 1.502 -0.878 0 CA-C-N 114.988 -1.005 . . . . 0.0 109.847 178.079 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.558 ' O ' ' HB2' ' B' ' 21' ' ' LYS . . . -57.37 -51.32 69.86 Favored 'General case' 0 N--CA 1.435 -1.185 0 C-N-CA 119.104 -1.038 . . . . 0.0 109.609 -179.063 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.53 ' HA ' ' HZ1' ' B' ' 21' ' ' LYS . 30.3 m80 -79.19 -52.61 7.93 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 114.794 1.405 . . . . 0.0 114.794 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.505 ' OG ' ' O ' ' B' ' 24' ' ' ASP . 20.0 t -58.37 -40.26 81.79 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 119.457 -0.897 . . . . 0.0 109.444 -178.701 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.15 -44.95 27.41 Favored Glycine 0 C--N 1.345 1.053 0 CA-C-N 115.826 -0.625 . . . . 0.0 112.432 178.734 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' LYS . . . . . 0.558 ' HB2' ' O ' ' B' ' 17' ' ' ALA . 6.7 ttpm? -58.22 -44.05 88.02 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 120.161 -0.616 . . . . 0.0 111.783 -179.567 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.543 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 84.7 tt0 -133.31 137.14 45.84 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.503 -0.479 . . . . 0.0 110.172 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.49 -164.13 54.03 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 178.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' ASP . . . . . 0.505 ' O ' ' OG ' ' B' ' 19' ' ' SER . 88.6 m-20 -70.14 142.94 52.47 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 178.7 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.456 ' C ' ' OG ' ' B' ' 19' ' ' SER . 51.0 mttm -60.51 -32.97 71.96 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.682 0.753 . . . . 0.0 110.275 -178.781 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.587 ' OH ' ' CE3' ' A' ' 90' ' ' TRP . 97.8 m-85 -102.62 15.9 27.94 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 114.704 -1.135 . . . . 0.0 112.954 -175.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.554 ' NZ ' ' OD2' ' B' ' 66' ' ' ASP . 5.0 tptt -140.75 138.44 34.16 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 118.909 -1.117 . . . . 0.0 109.483 178.758 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 15.3 tp -113.55 129.43 56.56 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 -178.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 24.2 t -102.06 159.59 15.24 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.495 -179.06 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 23.0 ttpt -52.33 -46.72 66.17 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-O 121.205 0.526 . . . . 0.0 111.319 -178.17 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.574 ' HG3' ' N ' ' B' ' 32' ' ' GLU . 21.7 pttm -60.53 -48.1 83.27 Favored 'General case' 0 N--CA 1.44 -0.975 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.018 -178.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.574 ' N ' ' HG3' ' B' ' 31' ' ' LYS . 94.7 mt-10 -63.07 -48.52 78.3 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.963 -178.63 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 pp -62.2 -34.32 76.24 Favored 'General case' 0 CA--C 1.498 -1.051 0 C-N-CA 118.755 -1.178 . . . . 0.0 110.398 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.479 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 0.8 OUTLIER -54.93 -36.68 65.53 Favored 'General case' 0 N--CA 1.435 -1.19 0 C-N-CA 117.729 -1.588 . . . . 0.0 107.574 178.249 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.875 ' O ' HG23 ' B' ' 39' ' ' THR . 97.3 mt-10 -75.59 -41.31 54.88 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 178.755 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.752 ' O ' HD23 ' B' ' 36' ' ' LEU . 2.5 tt -66.19 -46.79 76.08 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 120.155 -0.618 . . . . 0.0 111.901 -176.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.584 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 1.1 mm? -64.91 -41.82 95.26 Favored 'General case' 0 CA--C 1.52 -0.211 0 C-N-CA 118.74 -1.184 . . . . 0.0 110.891 -179.727 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.479 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 25.7 mt-30 -64.4 -39.79 94.53 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.405 -0.518 . . . . 0.0 111.85 179.485 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.875 HG23 ' O ' ' B' ' 35' ' ' GLU . 63.0 p -70.95 -39.26 72.7 Favored 'General case' 0 C--O 1.232 0.158 0 C-N-CA 120.21 -0.596 . . . . 0.0 111.594 -179.63 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -90.84 -49.04 6.66 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.752 -0.379 . . . . 0.0 111.938 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.6 HD22 ' OE2' ' A' ' 5' ' ' GLU . 26.3 mt -107.47 142.51 37.23 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.17 0.509 . . . . 0.0 111.409 -179.448 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 6.7 t -115.96 -65.8 1.15 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.268 178.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.87 -38.01 91.73 Favored Glycine 0 CA--C 1.531 1.066 0 CA-C-N 115.84 -0.618 . . . . 0.0 113.71 -179.036 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -60.74 -53.52 56.34 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 117.991 0.895 . . . . 0.0 112.145 -178.101 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -74.06 -39.83 63.22 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 120.427 -0.509 . . . . 0.0 111.121 178.23 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -61.23 -30.05 70.21 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.609 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.83 -29.25 59.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.041 -0.527 . . . . 0.0 112.052 -177.367 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 90.4 mm-40 -90.2 119.0 30.15 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 119.488 -0.885 . . . . 0.0 109.725 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 37.1 tttp -62.77 -39.6 94.69 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 -178.629 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -70.38 142.42 52.1 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -177.456 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 4.6 m -73.01 -27.63 24.98 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 178.252 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -72.56 -6.18 42.22 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 114.889 -1.05 . . . . 0.0 109.378 179.112 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.419 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -55.43 -37.76 68.1 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.137 -178.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.574 HG13 ' N ' ' B' ' 55' ' ' ASP . 9.9 p -59.97 -43.0 91.44 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 C-N-CA 119.573 -0.851 . . . . 0.0 109.827 178.354 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.574 ' N ' HG13 ' B' ' 54' ' ' VAL . 88.3 m-20 -61.5 -42.32 98.62 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.67 179.561 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 53.5 mttp -60.93 -39.21 88.55 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.248 -0.581 . . . . 0.0 110.265 179.228 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.419 HG23 ' O ' ' B' ' 53' ' ' ALA . 75.1 t -66.08 -45.19 91.16 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.488 0 CA-C-N 115.87 -0.605 . . . . 0.0 112.422 -179.621 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.401 ' HG3' ' N ' ' B' ' 59' ' ' LYS . 0.2 OUTLIER -70.67 -35.84 73.04 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 114.517 1.303 . . . . 0.0 114.517 -178.132 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 59' ' ' LYS . . . . . 0.401 ' N ' ' HG3' ' B' ' 58' ' ' MET . 28.7 mmtm -60.55 -40.43 91.55 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 119.777 -0.769 . . . . 0.0 112.965 -179.114 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -71.22 -35.7 71.6 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 119.412 -0.915 . . . . 0.0 110.475 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' B' ' 63' ' ' GLU . 97.7 mt -67.2 -36.15 81.13 Favored 'General case' 0 CA--C 1.509 -0.635 0 CA-C-N 116.044 -0.525 . . . . 0.0 112.069 179.407 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.409 ' CG ' ' H ' ' B' ' 65' ' ' GLY . 44.4 t0 -71.48 71.38 0.67 Allowed 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 118.312 -1.355 . . . . 0.0 110.56 -178.37 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 63' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' B' ' 61' ' ' LEU . 86.8 tt0 -62.62 -37.21 85.4 Favored 'General case' 0 CA--C 1.498 -1.026 0 N-CA-C 107.078 -1.453 . . . . 0.0 107.078 175.863 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.482 ' OD1' ' OD2' ' B' ' 66' ' ' ASP . 17.7 t-20 -57.21 -39.53 75.63 Favored 'General case' 0 N--CA 1.429 -1.484 0 CA-C-N 111.515 -2.584 . . . . 0.0 111.388 178.797 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.409 ' H ' ' CG ' ' B' ' 62' ' ' ASP . . . 80.06 18.4 72.23 Favored Glycine 0 CA--C 1.529 0.958 0 C-N-CA 121.391 -0.433 . . . . 0.0 112.808 177.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.554 ' OD2' ' NZ ' ' B' ' 27' ' ' LYS . 54.2 p30 -88.6 1.94 54.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 117.373 0.586 . . . . 0.0 112.309 -179.742 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 86.47 -2.58 87.41 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.538 -1.025 . . . . 0.0 110.538 179.02 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.514 ' OE1' ' O ' ' B' ' 66' ' ' ASP . 55.9 mp0 -122.08 161.18 23.53 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 115.371 -0.414 . . . . 0.0 110.381 179.608 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 48.0 t -101.83 130.29 51.75 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 N-CA-C 106.337 -1.727 . . . . 0.0 106.337 176.17 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.542 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 49.0 t0 -99.83 161.82 13.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.267 0.556 . . . . 0.0 111.809 -177.058 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.542 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 1.0 OUTLIER -50.48 -44.62 55.85 Favored 'General case' 0 C--O 1.217 -0.64 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.598 -178.509 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.423 ' HG2' HG21 ' A' ' 83' ' ' VAL . 94.3 mt-30 -61.9 -40.33 95.06 Favored 'General case' 0 C--O 1.246 0.901 0 C-N-CA 119.733 -0.787 . . . . 0.0 110.799 178.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.504 ' O ' HG22 ' B' ' 76' ' ' VAL . 76.1 mt-10 -64.24 -43.07 96.03 Favored 'General case' 0 C--O 1.243 0.746 0 CA-C-O 122.518 1.151 . . . . 0.0 109.614 -179.685 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -63.17 -41.11 99.18 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.281 -1.327 . . . . 0.0 110.252 178.581 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.634 HG13 ' HB1' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -59.97 -47.66 90.83 Favored 'Isoleucine or valine' 0 C--O 1.248 0.978 0 CA-C-N 113.805 -1.543 . . . . 0.0 109.663 -178.898 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.504 HG22 ' O ' ' B' ' 73' ' ' GLU . 17.2 m -67.23 -34.62 70.4 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.584 0 C-N-CA 117.722 -1.591 . . . . 0.0 109.473 178.488 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.702 ' O ' HD13 ' B' ' 81' ' ' LEU . 25.7 tp -57.56 -50.36 73.36 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 118.886 -1.125 . . . . 0.0 111.791 178.467 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 34.9 m -68.88 -36.14 72.68 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 C-N-CA 118.78 -1.168 . . . . 0.0 111.596 -179.225 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.725 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . . . -68.4 -48.03 65.74 Favored 'General case' 0 C--O 1.25 1.084 0 C-N-CA 118.965 -1.094 . . . . 0.0 111.814 -179.371 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.23 -39.8 95.63 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.65 -0.704 . . . . 0.0 109.163 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.702 HD13 ' O ' ' B' ' 77' ' ' LEU . 10.2 mp -65.3 -34.81 79.22 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 119.509 -0.877 . . . . 0.0 109.881 176.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 36.8 m -63.43 -50.3 70.32 Favored 'General case' 0 C--O 1.246 0.908 0 C-N-CA 119.803 -0.759 . . . . 0.0 111.39 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.467 ' O ' ' OD1' ' B' ' 87' ' ' ASN . 13.8 p -63.7 -38.96 83.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 C-N-CA 119.057 -1.057 . . . . 0.0 110.535 178.801 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.45 -30.66 71.47 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.82 178.745 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 38.6 t -67.53 -54.47 19.72 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.384 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -55.82 -41.03 73.6 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 118.63 -1.228 . . . . 0.0 108.651 178.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 87' ' ' ASN . . . . . 0.467 ' OD1' ' O ' ' B' ' 83' ' ' VAL . 25.1 m120 -59.19 -38.33 79.59 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.816 178.141 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -63.39 -47.0 83.86 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.888 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -62.85 -49.6 74.25 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -178.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 90' ' ' TRP . . . . . 0.595 ' CE3' ' OH ' ' A' ' 26' ' ' TYR . 10.9 t-105 -71.84 -50.99 24.65 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-O 121.24 0.543 . . . . 0.0 112.388 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 91' ' ' GLU . . . . . 0.45 ' C ' ' OE1' ' B' ' 91' ' ' GLU . 7.9 tm-20 . . . . . 0 C--N 1.313 -1.012 0 CA-C-N 115.284 -0.871 . . . . 0.0 112.197 -177.579 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 55.7 mp0 . . . . . 0 C--O 1.241 0.636 0 N-CA-C 111.838 0.311 . . . . 0.0 111.838 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.516 HD22 HD21 ' B' ' 41' ' ' LEU . 5.7 tt -60.24 -40.12 89.13 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 107.583 -1.265 . . . . 0.0 107.583 -179.344 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.47 -37.43 87.49 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.002 178.285 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.1 m -59.12 -41.91 89.32 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 179.252 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.61 -45.07 88.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.549 179.157 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 99.2 mtp -59.65 -41.3 90.22 Favored 'General case' 0 C--O 1.248 0.991 0 CA-C-O 121.584 0.707 . . . . 0.0 109.733 179.562 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.84 -35.74 82.09 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.839 177.536 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 41.5 m -63.77 -43.23 97.01 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 119.523 -0.871 . . . . 0.0 110.145 179.326 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 37.4 mt -61.57 -42.53 98.98 Favored 'General case' 0 C--O 1.242 0.702 0 C-N-CA 119.295 -0.962 . . . . 0.0 108.821 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 99.5 mt -61.81 -46.78 95.78 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 C-N-CA 119.509 -0.876 . . . . 0.0 110.85 178.742 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -61.91 -40.78 96.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.885 -179.248 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.0 m -72.9 -39.78 59.06 Favored 'Isoleucine or valine' 0 C--O 1.246 0.888 0 C-N-CA 118.726 -1.19 . . . . 0.0 111.067 -179.428 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -60.88 -48.17 83.03 Favored 'General case' 0 C--N 1.345 0.374 0 C-N-CA 118.577 -1.249 . . . . 0.0 110.163 177.571 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -63.06 -36.0 82.11 Favored 'General case' 0 CA--C 1.504 -0.817 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.052 178.084 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.592 ' O ' ' HB2' ' A' ' 21' ' ' LYS . . . -55.37 -50.57 69.35 Favored 'General case' 0 CA--C 1.492 -1.27 0 C-N-CA 118.781 -1.168 . . . . 0.0 108.623 -179.213 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 1.056 ' ND1' HD11 ' A' ' 28' ' ' LEU . 13.4 t-80 -76.81 -55.54 5.39 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 116.256 1.947 . . . . 0.0 116.256 -177.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.43 ' OG ' ' O ' ' A' ' 25' ' ' LYS . 23.0 t -58.79 -41.21 86.15 Favored 'General case' 0 CA--C 1.509 -0.608 0 N-CA-C 107.88 -1.156 . . . . 0.0 107.88 -179.046 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.55 -43.41 94.64 Favored Glycine 0 C--N 1.349 1.258 0 O-C-N 124.642 1.214 . . . . 0.0 111.182 177.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.592 ' HB2' ' O ' ' A' ' 17' ' ' ALA . 5.4 ttpm? -60.08 -44.13 95.01 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 -178.822 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -131.97 141.84 49.42 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 113.709 1.004 . . . . 0.0 113.709 -177.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 63.83 -131.47 40.12 Favored Glycine 0 CA--C 1.524 0.603 0 CA-C-N 115.093 -0.958 . . . . 0.0 112.992 177.68 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -79.41 125.16 29.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.066 -0.567 . . . . 0.0 110.251 -179.598 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.43 ' O ' ' OG ' ' A' ' 19' ' ' SER . 35.3 mtmt -58.53 -32.46 68.88 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.38 -0.827 . . . . 0.0 112.914 -177.512 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.607 ' OH ' ' CH2' ' B' ' 90' ' ' TRP . 97.3 m-85 -107.85 19.71 19.72 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 -178.034 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.407 ' NZ ' ' OD2' ' A' ' 66' ' ' ASP . 34.6 tptt -143.23 145.56 32.87 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 119.154 -1.018 . . . . 0.0 109.447 179.231 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 1.056 HD11 ' ND1' ' A' ' 18' ' ' HIS . 5.7 tp -112.29 128.95 56.42 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 119.977 -0.689 . . . . 0.0 109.996 -177.593 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.8 t -103.66 156.9 17.44 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.4 ttpm? -53.75 -47.17 70.92 Favored 'General case' 0 C--O 1.244 0.789 0 CA-C-O 121.43 0.633 . . . . 0.0 111.948 -177.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.603 ' HG3' ' N ' ' A' ' 32' ' ' GLU . 55.1 pttt -59.41 -47.57 84.95 Favored 'General case' 0 N--CA 1.44 -0.939 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.367 -178.668 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.671 ' O ' ' NE2' ' A' ' 18' ' ' HIS . 94.8 mt-10 -62.7 -48.83 77.57 Favored 'General case' 0 C--O 1.244 0.8 0 CA-C-N 115.035 -0.984 . . . . 0.0 112.158 -178.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.8 pp -62.25 -33.47 74.67 Favored 'General case' 0 CA--C 1.499 -1.015 0 C-N-CA 118.462 -1.295 . . . . 0.0 110.424 -179.248 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -53.54 -36.93 62.35 Favored 'General case' 0 N--CA 1.439 -1.025 0 C-N-CA 117.458 -1.697 . . . . 0.0 107.718 177.433 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.866 ' O ' HG23 ' A' ' 39' ' ' THR . 97.0 mt-10 -74.63 -42.84 57.87 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 178.697 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.817 ' O ' HD23 ' A' ' 36' ' ' LEU . 3.3 tt -63.21 -45.66 90.63 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 118.599 -1.24 . . . . 0.0 111.057 -177.642 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.588 ' O ' ' O ' ' A' ' 41' ' ' LEU . 1.3 mm? -61.71 -43.54 98.66 Favored 'General case' 0 CA--C 1.515 -0.401 0 C-N-CA 118.694 -1.202 . . . . 0.0 110.997 -179.024 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -62.89 -37.65 87.77 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.16 -0.616 . . . . 0.0 111.088 178.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.866 HG23 ' O ' ' A' ' 35' ' ' GLU . 72.6 p -71.02 -34.03 70.93 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 120.648 -0.421 . . . . 0.0 112.032 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -102.51 -59.0 1.77 Allowed 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 113.048 0.758 . . . . 0.0 113.048 -179.378 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.588 ' O ' ' O ' ' A' ' 37' ' ' LEU . 31.3 mt -98.29 142.53 29.83 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.358 0.599 . . . . 0.0 111.163 -178.702 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.549 ' OG ' ' N ' ' A' ' 43' ' ' GLY . 83.0 p -110.8 -77.02 0.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.146 179.78 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.549 ' N ' ' OG ' ' A' ' 42' ' ' SER . . . -56.63 -35.73 68.4 Favored Glycine 0 CA--C 1.53 1.028 0 CA-C-N 115.691 -0.686 . . . . 0.0 113.899 -178.413 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -61.25 -59.09 5.84 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 118.144 0.972 . . . . 0.0 112.731 -177.533 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.564 ' O ' HD13 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -71.96 -39.47 69.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.544 0.688 . . . . 0.0 109.789 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.437 ' CB ' ' O ' ' A' ' 42' ' ' SER . 59.2 t0 -62.45 -27.13 68.9 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.923 179.067 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.51 ' HB2' ' O ' ' A' ' 43' ' ' GLY . . . -53.21 -26.54 18.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.203 -0.453 . . . . 0.0 112.028 -176.881 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 91.5 mm-40 -85.72 117.34 24.54 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 119.334 -0.946 . . . . 0.0 109.765 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -63.01 -35.81 81.47 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 113.715 1.005 . . . . 0.0 113.715 -179.085 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -69.36 142.33 54.0 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 -177.511 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.3 m -74.04 -27.72 22.63 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.123 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.67 178.694 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -80.7 2.79 24.5 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 115.333 -0.849 . . . . 0.0 109.325 179.511 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.544 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -56.93 -37.61 71.73 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.197 -0.91 . . . . 0.0 109.741 -179.431 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.565 HG13 ' N ' ' A' ' 55' ' ' ASP . 10.6 p -60.85 -42.86 94.13 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 C-N-CA 119.718 -0.793 . . . . 0.0 110.293 178.557 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.565 ' N ' HG13 ' A' ' 54' ' ' VAL . 87.0 m-20 -60.41 -44.31 95.86 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 120.009 -0.676 . . . . 0.0 109.189 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 69.3 mttm -63.8 -39.43 94.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.473 179.046 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 53' ' ' ALA . 67.9 t -65.41 -46.87 88.87 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.206 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 -177.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.7 ppp? -67.0 -34.22 77.28 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 113.693 0.997 . . . . 0.0 113.693 -178.6 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 36.3 mmtt -60.51 -40.45 91.49 Favored 'General case' 0 N--CA 1.465 0.275 0 C-N-CA 119.27 -0.972 . . . . 0.0 111.07 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -64.56 -40.45 95.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.211 0.529 . . . . 0.0 110.804 179.215 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 63' ' ' GLU . 79.6 mt -68.31 -34.68 76.57 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.379 -0.828 . . . . 0.0 112.399 -179.325 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.441 ' CG ' ' H ' ' A' ' 65' ' ' GLY . 44.6 t0 -69.94 72.01 0.39 Allowed 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 118.525 -1.27 . . . . 0.0 110.288 -178.228 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 61' ' ' LEU . 87.6 tt0 -63.78 -38.4 90.96 Favored 'General case' 0 CA--C 1.498 -1.034 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 176.211 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.46 ' OD1' ' CG ' ' A' ' 66' ' ' ASP . 18.8 t-20 -58.21 -39.79 79.96 Favored 'General case' 0 C--N 1.304 -1.389 0 CA-C-N 111.618 -2.537 . . . . 0.0 111.371 178.431 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.441 ' H ' ' CG ' ' A' ' 62' ' ' ASP . . . 80.8 18.6 69.87 Favored Glycine 0 CA--C 1.53 1.028 0 C-N-CA 121.452 -0.404 . . . . 0.0 112.949 178.134 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.501 ' O ' ' OE1' ' A' ' 68' ' ' GLU . 57.0 p30 -89.4 2.48 54.39 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 117.646 0.723 . . . . 0.0 112.489 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 88.71 -4.28 85.01 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.582 -1.007 . . . . 0.0 110.582 178.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.501 ' OE1' ' O ' ' A' ' 66' ' ' ASP . 53.9 mp0 -122.62 160.06 26.54 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.239 0.543 . . . . 0.0 110.868 179.594 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.414 ' HA ' ' OE1' ' A' ' 73' ' ' GLU . 74.5 t -104.14 129.68 56.02 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.632 0 N-CA-C 106.621 -1.622 . . . . 0.0 106.621 176.469 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.499 ' C ' ' OD1' ' A' ' 70' ' ' ASP . 21.6 p30 -103.44 173.32 6.36 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 120.031 -0.668 . . . . 0.0 111.155 -177.157 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -53.78 -45.66 70.74 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.156 -179.112 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -62.23 -40.81 97.37 Favored 'General case' 0 C--O 1.243 0.757 0 C-N-CA 120.248 -0.581 . . . . 0.0 111.682 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.468 ' O ' HG22 ' A' ' 76' ' ' VAL . 72.1 mt-10 -64.64 -42.01 95.75 Favored 'General case' 0 C--O 1.242 0.697 0 CA-C-O 122.329 1.062 . . . . 0.0 109.525 179.61 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.401 ' CE1' HD13 ' A' ' 36' ' ' LEU . 68.8 t80 -63.08 -41.3 99.38 Favored 'General case' 0 C--O 1.241 0.613 0 CA-C-N 114.404 -1.271 . . . . 0.0 110.169 178.537 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.611 HG13 ' HB1' ' B' ' 79' ' ' ALA . 0.5 OUTLIER -60.64 -47.59 92.3 Favored 'Isoleucine or valine' 0 C--O 1.246 0.902 0 CA-C-N 113.652 -1.613 . . . . 0.0 110.086 -178.937 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.468 HG22 ' O ' ' A' ' 73' ' ' GLU . 15.5 m -67.28 -35.21 73.25 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.512 0 C-N-CA 117.848 -1.541 . . . . 0.0 109.314 178.753 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.591 ' O ' HD13 ' A' ' 81' ' ' LEU . 28.8 tp -56.2 -51.56 67.62 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 118.965 -1.094 . . . . 0.0 111.727 178.181 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.9 m -68.9 -35.89 71.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 C-N-CA 118.487 -1.285 . . . . 0.0 111.894 -178.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.698 ' HB2' ' HB2' ' B' ' 79' ' ' ALA . . . -68.45 -48.65 63.99 Favored 'General case' 0 C--O 1.249 1.051 0 C-N-CA 119.028 -1.069 . . . . 0.0 111.889 -179.437 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.14 -40.18 96.82 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.111 -0.699 . . . . 0.0 109.111 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.591 HD13 ' O ' ' A' ' 77' ' ' LEU . 10.2 mp -65.09 -34.45 78.45 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 119.354 -0.939 . . . . 0.0 109.871 176.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 37.5 m -63.33 -50.54 69.63 Favored 'General case' 0 C--O 1.248 1.0 0 C-N-CA 119.772 -0.771 . . . . 0.0 111.382 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.8 p -63.55 -39.15 84.28 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 C-N-CA 119.13 -1.028 . . . . 0.0 110.75 178.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.484 ' O ' ' CD2' ' A' ' 88' ' ' PHE . . . -65.02 -34.78 79.24 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 120.296 -0.562 . . . . 0.0 109.85 178.703 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 42.1 t -62.35 -54.75 35.91 Favored 'General case' 0 CA--C 1.506 -0.744 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.366 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 25.8 t30 -56.38 -40.25 74.3 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 118.717 -1.193 . . . . 0.0 109.178 179.079 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -59.18 -40.61 86.19 Favored 'General case' 0 CA--C 1.527 0.079 0 C-N-CA 120.34 -0.544 . . . . 0.0 111.004 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.529 ' O ' ' O ' ' A' ' 91' ' ' GLU . 63.2 m-85 -68.19 -40.76 82.14 Favored 'General case' 0 CA--C 1.523 -0.095 0 C-N-CA 120.054 -0.658 . . . . 0.0 111.507 178.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -63.38 -53.45 52.32 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 119.729 -0.788 . . . . 0.0 111.408 -179.065 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.604 ' CZ3' ' OH ' ' B' ' 26' ' ' TYR . 28.9 t-105 -67.16 -40.24 86.61 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 121.011 0.434 . . . . 0.0 112.134 178.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.529 ' O ' ' O ' ' A' ' 88' ' ' PHE . 2.9 tm-20 . . . . . 0 C--N 1.324 -0.506 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.564 -177.234 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 55.6 mp0 . . . . . 0 C--O 1.241 0.651 0 CA-C-O 120.777 0.322 . . . . 0.0 111.843 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.498 HD22 HD21 ' A' ' 41' ' ' LEU . 5.7 tt -60.32 -40.07 89.3 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 -179.319 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.48 -37.5 87.74 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.013 178.251 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 44.8 m -59.06 -41.8 88.8 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.237 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.72 -45.02 88.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.503 -0.772 . . . . 0.0 110.54 179.152 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 99.3 mtp -59.82 -41.21 90.79 Favored 'General case' 0 C--O 1.248 1.022 0 CA-C-O 121.609 0.718 . . . . 0.0 109.706 179.65 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -64.87 -36.36 84.11 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.773 177.618 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 40.6 m -62.93 -43.51 98.59 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 119.575 -0.85 . . . . 0.0 110.314 179.056 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 42.9 mt -61.66 -42.34 98.78 Favored 'General case' 0 C--O 1.243 0.738 0 C-N-CA 119.316 -0.953 . . . . 0.0 108.866 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 99.5 mt -61.81 -46.86 95.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 C-N-CA 119.624 -0.83 . . . . 0.0 110.836 178.639 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -61.87 -40.78 96.56 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.918 0.71 . . . . 0.0 112.918 -179.269 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 13.9 m -72.9 -39.74 59.02 Favored 'Isoleucine or valine' 0 C--O 1.247 0.921 0 C-N-CA 118.746 -1.182 . . . . 0.0 111.007 -179.49 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -60.99 -48.14 83.21 Favored 'General case' 0 C--N 1.343 0.288 0 C-N-CA 118.506 -1.277 . . . . 0.0 110.204 177.558 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -62.97 -36.25 82.87 Favored 'General case' 0 CA--C 1.505 -0.782 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.066 178.062 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.594 ' O ' ' HB2' ' B' ' 21' ' ' LYS . . . -55.2 -50.69 68.73 Favored 'General case' 0 CA--C 1.494 -1.194 0 C-N-CA 118.822 -1.151 . . . . 0.0 108.666 -179.354 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 1.043 ' ND1' HD11 ' B' ' 28' ' ' LEU . 14.0 t-80 -76.64 -55.52 5.43 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 116.166 1.913 . . . . 0.0 116.166 -177.743 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.427 ' OG ' ' O ' ' B' ' 25' ' ' LYS . 23.1 t -58.96 -41.22 86.97 Favored 'General case' 0 CA--C 1.512 -0.511 0 C-N-CA 118.91 -1.116 . . . . 0.0 107.999 -179.152 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.54 -43.44 94.61 Favored Glycine 0 C--N 1.347 1.187 0 O-C-N 124.814 1.321 . . . . 0.0 111.189 178.005 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' LYS . . . . . 0.594 ' HB2' ' O ' ' B' ' 17' ' ' ALA . 5.4 ttpm? -60.05 -44.14 94.9 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 -178.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -131.88 141.87 49.51 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 -177.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 63.79 -131.49 40.26 Favored Glycine 0 CA--C 1.524 0.641 0 CA-C-N 115.148 -0.933 . . . . 0.0 112.948 177.657 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -79.27 125.11 29.06 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.043 -0.578 . . . . 0.0 110.272 -179.627 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.427 ' O ' ' OG ' ' B' ' 19' ' ' SER . 35.3 mtmt -58.56 -32.32 68.8 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.307 -0.86 . . . . 0.0 112.922 -177.589 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.604 ' OH ' ' CZ3' ' A' ' 90' ' ' TRP . 97.3 m-85 -107.96 19.7 19.69 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 -178.117 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.424 ' NZ ' ' OD2' ' B' ' 66' ' ' ASP . 34.9 tptt -143.21 145.66 32.97 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 119.064 -1.054 . . . . 0.0 109.444 179.176 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 1.043 HD11 ' ND1' ' B' ' 18' ' ' HIS . 5.7 tp -112.32 128.9 56.41 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 119.967 -0.693 . . . . 0.0 110.036 -177.598 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 23.5 t -103.69 156.93 17.42 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 5.3 ttpm? -53.77 -47.19 70.98 Favored 'General case' 0 C--O 1.245 0.848 0 CA-C-O 121.392 0.615 . . . . 0.0 111.912 -177.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.598 ' CG ' ' N ' ' B' ' 32' ' ' GLU . 54.8 pttt -59.42 -47.55 85.04 Favored 'General case' 0 N--CA 1.441 -0.912 0 C-N-CA 119.893 -0.723 . . . . 0.0 109.434 -178.75 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.672 ' O ' ' NE2' ' B' ' 18' ' ' HIS . 94.8 mt-10 -62.66 -48.8 77.74 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 115.042 -0.981 . . . . 0.0 112.166 -178.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.8 pp -62.23 -33.48 74.67 Favored 'General case' 0 CA--C 1.499 -1.006 0 C-N-CA 118.513 -1.275 . . . . 0.0 110.386 -179.183 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.455 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 1.1 tptp -53.52 -37.0 62.38 Favored 'General case' 0 N--CA 1.439 -0.995 0 C-N-CA 117.466 -1.694 . . . . 0.0 107.636 177.524 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.878 ' O ' HG23 ' B' ' 39' ' ' THR . 97.1 mt-10 -74.66 -42.85 57.74 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 178.71 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.813 ' O ' HD23 ' B' ' 36' ' ' LEU . 3.8 tt -62.99 -45.84 90.5 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 118.681 -1.207 . . . . 0.0 110.889 -177.549 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.586 ' O ' ' O ' ' B' ' 41' ' ' LEU . 1.3 mm? -61.74 -43.61 98.53 Favored 'General case' 0 CA--C 1.514 -0.42 0 C-N-CA 118.787 -1.165 . . . . 0.0 111.073 -178.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.455 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 25.7 mt-30 -62.83 -37.7 87.84 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.118 -0.633 . . . . 0.0 111.031 178.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.878 HG23 ' O ' ' B' ' 35' ' ' GLU . 72.9 p -70.89 -34.04 71.17 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 120.648 -0.421 . . . . 0.0 112.038 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -102.59 -58.98 1.78 Allowed 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 113.032 0.752 . . . . 0.0 113.032 -179.333 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.586 ' O ' ' O ' ' B' ' 37' ' ' LEU . 31.4 mt -98.24 142.59 29.71 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.321 0.581 . . . . 0.0 111.133 -178.73 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.547 ' OG ' ' N ' ' B' ' 43' ' ' GLY . 82.9 p -110.89 -76.98 0.59 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.199 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 43' ' ' GLY . . . . . 0.547 ' N ' ' OG ' ' B' ' 42' ' ' SER . . . -56.74 -35.61 68.4 Favored Glycine 0 CA--C 1.529 0.958 0 CA-C-N 115.683 -0.69 . . . . 0.0 113.923 -178.402 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -61.28 -59.09 5.83 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 118.144 0.972 . . . . 0.0 112.649 -177.464 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.55 HD13 ' O ' ' B' ' 45' ' ' LEU . 0.2 OUTLIER -72.02 -39.49 69.14 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 121.5 0.667 . . . . 0.0 109.706 -179.898 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.448 ' CB ' ' O ' ' B' ' 42' ' ' SER . 59.1 t0 -62.4 -27.14 68.88 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 114.885 -1.052 . . . . 0.0 111.945 179.078 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 47' ' ' ALA . . . . . 0.51 ' HB2' ' O ' ' B' ' 43' ' ' GLY . . . -53.21 -26.59 18.13 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.164 -0.471 . . . . 0.0 112.024 -176.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -85.7 117.4 24.56 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 119.296 -0.962 . . . . 0.0 109.717 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -62.96 -35.88 81.62 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 -179.259 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -69.36 142.33 53.99 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -177.414 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 4.4 m -74.13 -27.63 22.28 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.136 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.625 178.677 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -80.71 2.78 24.58 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.354 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.542 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -56.89 -37.51 71.48 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 115.142 -0.935 . . . . 0.0 109.848 -179.525 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.566 HG13 ' N ' ' B' ' 55' ' ' ASP . 10.5 p -60.91 -42.88 94.41 Favored 'Isoleucine or valine' 0 C--O 1.242 0.664 0 C-N-CA 119.799 -0.761 . . . . 0.0 110.31 178.485 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.566 ' N ' HG13 ' B' ' 54' ' ' VAL . 86.8 m-20 -60.44 -44.3 95.95 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 120.009 -0.676 . . . . 0.0 109.218 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 69.3 mttm -63.77 -39.45 94.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.487 179.045 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.542 HG23 ' O ' ' B' ' 53' ' ' ALA . 67.6 t -65.34 -47.05 88.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 -177.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 1.6 ppp? -66.98 -34.17 77.16 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 -178.535 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 36.3 mmtt -60.63 -40.41 91.86 Favored 'General case' 0 N--CA 1.463 0.184 0 C-N-CA 119.281 -0.968 . . . . 0.0 111.095 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -64.59 -40.41 95.48 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.728 179.196 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' B' ' 63' ' ' GLU . 79.6 mt -68.29 -34.7 76.63 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.476 -0.784 . . . . 0.0 112.41 -179.325 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.439 ' CG ' ' H ' ' B' ' 65' ' ' GLY . 44.5 t0 -69.99 72.05 0.4 Allowed 'General case' 0 N--CA 1.446 -0.647 0 C-N-CA 118.51 -1.276 . . . . 0.0 110.327 -178.254 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 63' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' B' ' 61' ' ' LEU . 87.6 tt0 -63.7 -38.47 91.25 Favored 'General case' 0 CA--C 1.498 -1.038 0 CA-C-O 123.104 1.431 . . . . 0.0 107.155 176.18 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.464 ' OD1' ' CG ' ' B' ' 66' ' ' ASP . 18.8 t-20 -58.21 -39.74 79.8 Favored 'General case' 0 N--CA 1.43 -1.426 0 CA-C-N 111.605 -2.543 . . . . 0.0 111.41 178.465 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.439 ' H ' ' CG ' ' B' ' 62' ' ' ASP . . . 80.8 18.49 70.14 Favored Glycine 0 CA--C 1.531 1.056 0 C-N-CA 121.362 -0.446 . . . . 0.0 112.964 178.088 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.5 ' O ' ' OE1' ' B' ' 68' ' ' GLU . 57.3 p30 -89.28 2.46 54.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 117.652 0.726 . . . . 0.0 112.503 -179.704 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 88.72 -4.35 85.0 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.558 -1.017 . . . . 0.0 110.558 178.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.5 ' OE1' ' O ' ' B' ' 66' ' ' ASP . 53.9 mp0 -122.51 160.07 26.38 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-O 121.212 0.529 . . . . 0.0 110.945 179.554 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.407 ' HA ' ' OE1' ' B' ' 73' ' ' GLU . 73.8 t -104.07 129.85 55.64 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.591 0 N-CA-C 106.702 -1.592 . . . . 0.0 106.702 176.368 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.487 ' OD1' ' C ' ' B' ' 70' ' ' ASP . 21.1 p30 -103.76 173.14 6.43 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 120.083 -0.647 . . . . 0.0 111.274 -177.213 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -53.64 -45.59 70.24 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.205 -179.022 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -62.41 -40.72 97.43 Favored 'General case' 0 C--O 1.243 0.732 0 C-N-CA 120.164 -0.614 . . . . 0.0 111.639 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.457 ' O ' HG22 ' B' ' 76' ' ' VAL . 72.3 mt-10 -64.67 -41.96 95.72 Favored 'General case' 0 C--O 1.241 0.646 0 CA-C-O 122.322 1.058 . . . . 0.0 109.551 179.573 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 68.8 t80 -63.16 -41.21 99.21 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-N 114.375 -1.284 . . . . 0.0 110.145 178.534 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.603 HG13 ' HB1' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -60.77 -47.53 92.78 Favored 'Isoleucine or valine' 0 C--O 1.246 0.881 0 CA-C-N 113.666 -1.606 . . . . 0.0 110.126 -178.938 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.457 HG22 ' O ' ' B' ' 73' ' ' GLU . 15.5 m -67.34 -35.24 73.16 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 C-N-CA 117.886 -1.526 . . . . 0.0 109.244 178.708 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.593 ' O ' HD13 ' B' ' 81' ' ' LEU . 28.3 tp -56.16 -51.52 67.7 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 118.919 -1.112 . . . . 0.0 111.772 178.197 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.404 ' O ' ' OG1' ' B' ' 82' ' ' THR . 33.9 m -68.93 -35.79 70.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 C-N-CA 118.396 -1.322 . . . . 0.0 111.905 -178.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.698 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . . . -68.55 -48.58 63.92 Favored 'General case' 0 C--O 1.249 1.035 0 C-N-CA 119.015 -1.074 . . . . 0.0 111.872 -179.422 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.18 -40.09 96.53 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.593 HD13 ' O ' ' B' ' 77' ' ' LEU . 10.1 mp -65.01 -34.6 78.82 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 119.358 -0.937 . . . . 0.0 109.861 176.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.404 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 38.5 m -63.3 -50.48 69.93 Favored 'General case' 0 C--O 1.248 0.998 0 C-N-CA 119.752 -0.779 . . . . 0.0 111.342 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 13.9 p -63.58 -39.2 84.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 119.138 -1.025 . . . . 0.0 110.74 178.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.484 ' O ' ' CD2' ' B' ' 88' ' ' PHE . . . -65.03 -34.73 79.13 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 120.282 -0.567 . . . . 0.0 109.793 178.71 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 42.1 t -62.37 -54.64 37.43 Favored 'General case' 0 CA--C 1.505 -0.776 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.432 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 25.7 t30 -56.48 -40.27 74.63 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 118.733 -1.187 . . . . 0.0 109.135 179.053 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -59.23 -40.55 86.23 Favored 'General case' 0 C--O 1.231 0.098 0 C-N-CA 120.283 -0.567 . . . . 0.0 111.033 179.656 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.54 ' O ' ' O ' ' B' ' 91' ' ' GLU . 63.3 m-85 -68.13 -40.81 82.37 Favored 'General case' 0 CA--C 1.523 -0.093 0 C-N-CA 120.106 -0.638 . . . . 0.0 111.478 178.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -63.42 -53.38 53.28 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 119.71 -0.796 . . . . 0.0 111.381 -178.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 90' ' ' TRP . . . . . 0.607 ' CH2' ' OH ' ' A' ' 26' ' ' TYR . 28.7 t-105 -67.19 -40.27 86.51 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-O 120.987 0.422 . . . . 0.0 112.122 178.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 91' ' ' GLU . . . . . 0.54 ' O ' ' O ' ' B' ' 88' ' ' PHE . 2.9 tm-20 . . . . . 0 C--N 1.323 -0.545 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.622 -177.256 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 . . . . . 0 N--CA 1.462 0.166 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.588 ' O ' HD23 ' A' ' 4' ' ' LEU . 5.6 tt -65.76 -42.04 91.36 Favored 'General case' 0 C--O 1.242 0.681 0 C-N-CA 118.127 -1.429 . . . . 0.0 108.061 179.753 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.443 ' OE1' ' C ' ' A' ' 5' ' ' GLU . 6.1 tm-20 -63.9 -40.05 95.59 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 114.342 -1.299 . . . . 0.0 109.277 179.52 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 43.4 m -60.23 -40.36 89.92 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.463 178.781 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.73 -44.76 92.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.081 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 98.4 mtp -59.52 -41.19 89.4 Favored 'General case' 0 C--O 1.248 1.019 0 CA-C-O 121.736 0.779 . . . . 0.0 109.453 179.141 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -64.75 -35.68 81.85 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.139 178.018 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 54.3 m -64.42 -43.07 95.54 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 119.744 -0.782 . . . . 0.0 110.257 179.475 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 36.8 mt -62.07 -42.29 99.05 Favored 'General case' 0 C--O 1.242 0.699 0 C-N-CA 119.053 -1.059 . . . . 0.0 108.734 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.481 HG23 ' ND2' ' B' ' 86' ' ' ASN . 98.0 mt -61.72 -45.69 98.14 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 C-N-CA 119.682 -0.807 . . . . 0.0 111.216 178.51 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -62.02 -41.4 98.03 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 -178.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.8 m -73.36 -41.24 57.26 Favored 'Isoleucine or valine' 0 C--O 1.256 1.414 0 C-N-CA 119.267 -0.973 . . . . 0.0 111.185 -179.336 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -60.39 -47.57 85.49 Favored 'General case' 0 CA--C 1.512 -0.488 0 C-N-CA 119.107 -1.037 . . . . 0.0 109.84 177.189 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -62.7 -35.47 79.8 Favored 'General case' 0 CA--C 1.5 -0.953 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.615 178.124 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.552 ' O ' ' HB2' ' A' ' 21' ' ' LYS . . . -57.4 -51.36 69.73 Favored 'General case' 0 N--CA 1.435 -1.223 0 C-N-CA 118.753 -1.179 . . . . 0.0 109.599 -179.128 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.486 ' HB2' HD12 ' A' ' 36' ' ' LEU . 33.8 m80 -78.39 -54.04 6.62 Favored 'General case' 0 C--O 1.245 0.861 0 N-CA-C 114.895 1.443 . . . . 0.0 114.895 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.506 ' OG ' ' O ' ' A' ' 25' ' ' LYS . 23.1 t -57.86 -41.91 83.4 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 118.393 -1.323 . . . . 0.0 108.739 -178.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.15 -43.87 92.31 Favored Glycine 0 C--N 1.342 0.914 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.722 178.246 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.552 ' HB2' ' O ' ' A' ' 17' ' ' ALA . 7.4 ttpm? -59.77 -42.66 93.79 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 113.302 0.853 . . . . 0.0 113.302 -179.004 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.529 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 84.8 tt0 -129.72 142.76 50.65 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 -177.773 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.49 -130.1 49.74 Favored Glycine 0 CA--C 1.523 0.564 0 CA-C-N 115.209 -0.905 . . . . 0.0 113.406 177.066 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -79.27 124.99 28.9 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 114.868 -0.666 . . . . 0.0 110.119 -179.552 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.506 ' O ' ' OG ' ' A' ' 19' ' ' SER . 34.4 mtmt -58.36 -31.27 67.45 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.212 -0.904 . . . . 0.0 112.842 -177.563 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.621 ' OH ' ' CD2' ' B' ' 90' ' ' TRP . 93.2 m-85 -105.93 18.31 22.3 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 -177.496 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.3 tptt -140.45 139.44 35.2 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 119.662 -0.815 . . . . 0.0 109.236 178.124 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.9 tp -108.67 128.37 54.8 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.371 -177.507 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 95.1 p -103.35 165.55 10.96 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.016 -179.446 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -53.2 -46.83 69.18 Favored 'General case' 0 C--O 1.24 0.568 0 CA-C-O 120.936 0.398 . . . . 0.0 111.936 -178.045 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.434 ' HG3' ' N ' ' A' ' 32' ' ' GLU . 14.8 ptpt -60.69 -39.56 88.91 Favored 'General case' 0 N--CA 1.439 -1.011 0 C-N-CA 119.576 -0.849 . . . . 0.0 109.7 -178.729 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.529 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 96.9 mt-10 -68.2 -52.46 34.02 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 119.679 -0.808 . . . . 0.0 112.275 -179.493 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.402 HD22 HG21 ' A' ' 69' ' ' VAL . 0.2 OUTLIER -58.78 -36.34 74.25 Favored 'General case' 0 CA--C 1.503 -0.843 0 C-N-CA 118.316 -1.353 . . . . 0.0 110.074 -179.517 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.43 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 0.3 OUTLIER -55.76 -37.69 68.85 Favored 'General case' 0 N--CA 1.435 -1.216 0 C-N-CA 117.87 -1.532 . . . . 0.0 108.425 179.725 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.851 ' O ' HG23 ' A' ' 39' ' ' THR . 97.3 mt-10 -76.2 -41.17 50.36 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 178.763 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.74 ' O ' HD23 ' A' ' 36' ' ' LEU . 3.4 tt -66.88 -46.3 75.39 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 120.256 -0.578 . . . . 0.0 112.129 -176.544 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.563 ' N ' ' CD2' ' A' ' 37' ' ' LEU . 1.2 mm? -64.79 -43.11 94.27 Favored 'General case' 0 CA--C 1.518 -0.252 0 C-N-CA 118.798 -1.161 . . . . 0.0 110.867 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.43 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 25.8 mt-30 -64.42 -40.04 94.99 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.6 -0.44 . . . . 0.0 112.132 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.851 HG23 ' O ' ' A' ' 35' ' ' GLU . 62.5 p -72.39 -38.21 68.52 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 120.292 -0.563 . . . . 0.0 112.292 -179.231 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -92.65 -55.28 3.44 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 113.042 0.756 . . . . 0.0 113.042 -179.362 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.555 ' O ' ' O ' ' A' ' 37' ' ' LEU . 53.6 mt -101.47 142.85 32.23 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.255 0.55 . . . . 0.0 111.433 -179.011 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.4 t -112.91 -62.1 1.64 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.531 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.63 -38.84 92.44 Favored Glycine 0 CA--C 1.533 1.163 0 CA-C-N 116.079 -0.51 . . . . 0.0 114.346 -178.006 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -61.8 -53.29 57.95 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 118.117 0.959 . . . . 0.0 112.694 -177.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -73.08 -37.59 66.73 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 120.32 -0.552 . . . . 0.0 111.533 178.582 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 58.3 t0 -59.26 -30.34 68.21 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.962 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.8 -32.08 63.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.785 -177.656 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -96.78 116.93 29.98 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 119.32 -0.952 . . . . 0.0 109.268 179.32 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -63.79 -37.47 87.47 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 114.244 1.201 . . . . 0.0 114.244 -178.654 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -72.43 142.59 48.65 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -177.266 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.467 ' O ' HG12 ' A' ' 54' ' ' VAL . 4.9 m -72.26 -28.27 28.64 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 177.46 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -60.74 -24.41 65.7 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 114.298 -1.319 . . . . 0.0 108.912 178.065 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.424 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -51.85 -35.47 44.82 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.672 -1.149 . . . . 0.0 110.764 -178.13 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.614 HG13 ' N ' ' A' ' 55' ' ' ASP . 7.3 p -58.85 -44.84 91.46 Favored 'Isoleucine or valine' 0 C--O 1.236 0.393 0 C-N-CA 119.259 -0.977 . . . . 0.0 109.567 178.681 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.614 ' N ' HG13 ' A' ' 54' ' ' VAL . 92.4 m-20 -62.98 -42.07 99.73 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.923 178.614 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -59.67 -39.48 84.61 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.019 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 53' ' ' ALA . 72.0 t -65.35 -44.92 94.59 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 C-N-CA 120.412 -0.515 . . . . 0.0 110.397 179.202 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -71.14 -33.05 69.7 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 114.473 1.286 . . . . 0.0 114.473 -178.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.3 mtmm -58.21 -40.91 82.83 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 119.704 -0.798 . . . . 0.0 113.006 -177.727 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -71.25 -34.74 71.01 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 119.667 -0.813 . . . . 0.0 110.186 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.449 ' O ' ' CD ' ' A' ' 73' ' ' GLU . 88.1 mt -67.49 -34.71 77.7 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-N 115.508 -0.769 . . . . 0.0 112.291 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.483 ' OD1' ' OD1' ' A' ' 66' ' ' ASP . 49.2 t0 -72.08 84.65 1.0 Allowed 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 118.561 -1.255 . . . . 0.0 111.279 -177.566 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -63.51 -47.41 81.78 Favored 'General case' 0 CA--C 1.505 -0.766 0 CA-C-O 122.52 1.152 . . . . 0.0 110.738 176.69 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 31.9 m120 -59.33 -35.48 73.92 Favored 'General case' 0 C--N 1.3 -1.559 0 CA-C-N 112.656 -2.065 . . . . 0.0 111.336 -179.313 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.78 17.32 70.66 Favored Glycine 0 CA--C 1.521 0.408 0 N-CA-C 108.429 -1.869 . . . . 0.0 108.429 -177.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.525 ' O ' ' OE1' ' A' ' 68' ' ' GLU . 24.5 p-10 -86.49 0.97 53.12 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 -178.414 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 82.62 2.45 90.63 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 178.457 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.525 ' OE1' ' O ' ' A' ' 66' ' ' ASP . 53.0 mp0 -120.0 156.69 30.38 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-O 121.513 0.673 . . . . 0.0 112.083 179.719 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.402 HG21 HD22 ' A' ' 33' ' ' LEU . 45.5 t -106.63 131.51 56.25 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.497 0 N-CA-C 107.216 -1.402 . . . . 0.0 107.216 176.783 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.546 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 51.3 t0 -101.28 160.82 14.09 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.088 0.47 . . . . 0.0 111.325 -178.169 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.546 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 1.0 OUTLIER -50.3 -44.48 54.07 Favored 'General case' 0 C--O 1.218 -0.594 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.451 -178.393 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -62.22 -40.62 96.74 Favored 'General case' 0 C--O 1.245 0.861 0 C-N-CA 119.898 -0.721 . . . . 0.0 111.011 178.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.473 ' O ' HG22 ' A' ' 76' ' ' VAL . 86.5 mt-10 -64.4 -42.21 96.21 Favored 'General case' 0 C--O 1.241 0.643 0 CA-C-O 122.375 1.084 . . . . 0.0 109.531 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -63.32 -41.36 98.91 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-N 114.352 -1.295 . . . . 0.0 110.222 178.699 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.629 HG13 ' HB1' ' B' ' 79' ' ' ALA . 0.5 OUTLIER -60.28 -48.08 89.66 Favored 'Isoleucine or valine' 0 C--O 1.248 0.977 0 CA-C-N 113.684 -1.598 . . . . 0.0 109.816 -178.841 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.473 HG22 ' O ' ' A' ' 73' ' ' GLU . 15.8 m -67.33 -34.49 69.25 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.557 0 C-N-CA 117.911 -1.515 . . . . 0.0 109.366 178.59 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.716 ' O ' HD13 ' A' ' 81' ' ' LEU . 24.8 tp -57.29 -50.78 71.84 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 118.903 -1.119 . . . . 0.0 111.651 178.73 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.401 ' O ' ' OG1' ' A' ' 82' ' ' THR . 33.5 m -69.43 -35.85 68.89 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.286 0 C-N-CA 118.718 -1.193 . . . . 0.0 111.678 -179.122 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.734 ' HB2' ' HB2' ' B' ' 79' ' ' ALA . . . -68.57 -48.97 62.86 Favored 'General case' 0 C--O 1.25 1.084 0 C-N-CA 118.987 -1.085 . . . . 0.0 111.765 -179.395 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.09 -39.36 94.49 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.037 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.716 HD13 ' O ' ' A' ' 77' ' ' LEU . 10.1 mp -65.7 -34.33 77.95 Favored 'General case' 0 C--O 1.219 -0.533 0 C-N-CA 119.299 -0.96 . . . . 0.0 109.84 176.802 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 38.2 m -63.36 -50.21 70.85 Favored 'General case' 0 C--O 1.248 0.976 0 C-N-CA 119.723 -0.791 . . . . 0.0 111.399 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.478 ' O ' ' OD1' ' A' ' 87' ' ' ASN . 12.9 p -63.88 -39.22 84.62 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 119.127 -1.029 . . . . 0.0 110.64 178.787 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.78 -30.12 70.71 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-O 121.092 0.472 . . . . 0.0 109.904 178.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 34.1 t -68.36 -55.29 12.54 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 115.514 -0.767 . . . . 0.0 109.748 -179.65 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.425 HD21 ' C ' ' A' ' 86' ' ' ASN . 0.4 OUTLIER -56.66 -40.23 75.12 Favored 'General case' 0 C--O 1.24 0.586 0 C-N-CA 118.262 -1.375 . . . . 0.0 108.496 178.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.691 ' O ' ' HB2' ' A' ' 91' ' ' GLU . 23.9 m120 -58.86 -40.37 84.11 Favored 'General case' 0 C--O 1.2 -1.509 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 177.614 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.56 ' O ' ' O ' ' A' ' 91' ' ' GLU . 68.4 t80 -63.56 -40.58 97.36 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 118.31 -1.356 . . . . 0.0 110.502 178.742 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -64.23 -60.76 2.81 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 120.026 -0.67 . . . . 0.0 112.294 -178.364 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.62 ' CD2' ' OH ' ' B' ' 26' ' ' TYR . 20.3 t-105 -69.03 -43.98 73.63 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 119.748 -0.781 . . . . 0.0 111.449 179.058 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.691 ' HB2' ' O ' ' A' ' 87' ' ' ASN . 93.8 mt-10 . . . . . 0 C--N 1.318 -0.777 0 CA-C-N 114.306 -1.315 . . . . 0.0 111.663 -179.648 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 . . . . . 0 C--O 1.233 0.228 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.578 ' O ' HD23 ' B' ' 4' ' ' LEU . 5.6 tt -65.65 -42.13 91.75 Favored 'General case' 0 C--O 1.241 0.629 0 C-N-CA 118.166 -1.413 . . . . 0.0 108.046 179.755 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 5' ' ' GLU . . . . . 0.448 ' C ' ' OE1' ' B' ' 5' ' ' GLU . 6.1 tm-20 -63.93 -39.99 95.42 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 114.274 -1.33 . . . . 0.0 109.231 179.616 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 44.2 m -60.3 -40.24 89.82 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.439 178.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.81 -44.75 92.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.059 179.483 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 98.3 mtp -59.6 -41.16 89.69 Favored 'General case' 0 C--O 1.248 1.016 0 CA-C-O 121.76 0.79 . . . . 0.0 109.529 179.114 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -64.62 -36.52 84.53 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.004 178.05 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 50.7 m -63.48 -43.44 97.28 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 119.852 -0.739 . . . . 0.0 110.387 179.35 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 41.3 mt -61.98 -42.29 98.98 Favored 'General case' 0 C--O 1.242 0.667 0 C-N-CA 119.163 -1.015 . . . . 0.0 108.727 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 98.0 mt -61.54 -45.8 97.89 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 C-N-CA 119.681 -0.808 . . . . 0.0 111.284 178.467 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -62.01 -41.37 98.0 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.956 0.724 . . . . 0.0 112.956 -178.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 15.0 m -73.41 -41.22 56.92 Favored 'Isoleucine or valine' 0 C--O 1.256 1.396 0 C-N-CA 119.261 -0.975 . . . . 0.0 111.143 -179.285 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -60.4 -47.58 85.49 Favored 'General case' 0 CA--C 1.513 -0.48 0 C-N-CA 119.074 -1.05 . . . . 0.0 109.856 177.139 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -62.74 -35.35 79.48 Favored 'General case' 0 CA--C 1.501 -0.934 0 CA-C-N 115.219 -0.9 . . . . 0.0 109.582 178.157 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.555 ' O ' ' HB2' ' B' ' 21' ' ' LYS . . . -57.48 -51.32 69.91 Favored 'General case' 0 N--CA 1.436 -1.133 0 C-N-CA 118.72 -1.192 . . . . 0.0 109.562 -179.148 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.498 ' HB2' HD12 ' B' ' 36' ' ' LEU . 33.7 m80 -78.32 -54.12 6.55 Favored 'General case' 0 C--O 1.245 0.833 0 N-CA-C 114.881 1.437 . . . . 0.0 114.881 -179.677 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.493 ' OG ' ' O ' ' B' ' 25' ' ' LYS . 23.1 t -57.82 -42.01 83.43 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 118.389 -1.324 . . . . 0.0 108.739 -178.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.14 -43.88 92.31 Favored Glycine 0 C--N 1.343 0.968 0 CA-C-N 115.185 -0.916 . . . . 0.0 111.666 178.371 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' LYS . . . . . 0.555 ' HB2' ' O ' ' B' ' 17' ' ' ALA . 7.4 ttpm? -59.68 -42.77 93.65 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 -179.002 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.532 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 84.7 tt0 -129.68 142.82 50.65 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 113.981 1.104 . . . . 0.0 113.981 -177.755 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.48 -130.19 49.9 Favored Glycine 0 CA--C 1.523 0.567 0 CA-C-N 115.222 -0.899 . . . . 0.0 113.364 177.036 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -79.18 124.99 28.86 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 114.894 -0.653 . . . . 0.0 110.082 -179.537 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.493 ' O ' ' OG ' ' B' ' 19' ' ' SER . 34.5 mtmt -58.34 -31.25 67.4 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.139 -0.937 . . . . 0.0 112.863 -177.636 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.62 ' OH ' ' CD2' ' A' ' 90' ' ' TRP . 93.2 m-85 -105.87 18.28 22.36 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 -177.525 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 35.7 tptt -140.39 139.55 35.34 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 119.599 -0.84 . . . . 0.0 109.343 178.131 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 18.0 tp -108.84 128.36 54.83 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.289 -177.526 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 94.3 p -103.33 165.63 10.91 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.935 -179.476 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -53.2 -46.87 69.21 Favored 'General case' 0 C--O 1.241 0.612 0 CA-C-O 120.903 0.382 . . . . 0.0 111.928 -178.038 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.438 ' HG3' ' N ' ' B' ' 32' ' ' GLU . 14.8 ptpt -60.65 -39.65 89.1 Favored 'General case' 0 N--CA 1.439 -1.001 0 C-N-CA 119.605 -0.838 . . . . 0.0 109.692 -178.725 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.532 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 96.9 mt-10 -68.05 -52.58 33.76 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 119.81 -0.756 . . . . 0.0 112.282 -179.548 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.4 HD22 HG21 ' B' ' 69' ' ' VAL . 0.2 OUTLIER -58.74 -36.36 74.2 Favored 'General case' 0 CA--C 1.504 -0.818 0 C-N-CA 118.312 -1.355 . . . . 0.0 110.08 -179.5 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.425 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 0.3 OUTLIER -55.81 -37.63 68.9 Favored 'General case' 0 N--CA 1.434 -1.23 0 C-N-CA 117.787 -1.565 . . . . 0.0 108.42 179.77 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.853 ' O ' HG23 ' B' ' 39' ' ' THR . 97.3 mt-10 -76.16 -41.25 50.42 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 113.0 0.741 . . . . 0.0 113.0 178.809 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.734 ' O ' HD23 ' B' ' 36' ' ' LEU . 3.5 tt -66.86 -46.29 75.48 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 120.238 -0.585 . . . . 0.0 112.075 -176.493 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.571 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 1.2 mm? -64.91 -42.98 94.26 Favored 'General case' 0 CA--C 1.52 -0.194 0 C-N-CA 118.761 -1.176 . . . . 0.0 110.878 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.425 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 25.8 mt-30 -64.55 -40.0 94.79 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.485 -0.486 . . . . 0.0 112.114 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.853 HG23 ' O ' ' B' ' 35' ' ' GLU . 63.4 p -72.3 -38.23 68.79 Favored 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 120.364 -0.534 . . . . 0.0 112.33 -179.325 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -92.66 -55.29 3.43 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 113.041 0.756 . . . . 0.0 113.041 -179.302 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.556 ' O ' ' O ' ' B' ' 37' ' ' LEU . 54.4 mt -101.5 142.94 32.12 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.225 0.536 . . . . 0.0 111.383 -179.023 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 7.4 t -112.95 -62.12 1.63 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.55 179.596 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.59 -38.93 92.55 Favored Glycine 0 CA--C 1.532 1.151 0 CA-C-N 115.939 -0.573 . . . . 0.0 114.358 -178.075 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -61.75 -53.35 57.25 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 118.11 0.955 . . . . 0.0 112.689 -177.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -73.07 -37.52 66.77 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 120.346 -0.541 . . . . 0.0 111.5 178.594 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 58.3 t0 -59.36 -30.26 68.28 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.999 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.81 -32.1 63.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.796 -177.698 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 82.6 mm-40 -96.75 116.9 29.92 Favored 'General case' 0 C--O 1.232 0.142 0 C-N-CA 119.404 -0.919 . . . . 0.0 109.343 179.238 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -63.77 -37.57 87.85 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 114.192 1.182 . . . . 0.0 114.192 -178.618 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -72.24 142.55 48.97 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 113.237 0.828 . . . . 0.0 113.237 -177.308 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 51' ' ' VAL . . . . . 0.459 ' O ' HG12 ' B' ' 54' ' ' VAL . 4.8 m -72.26 -28.28 28.64 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.13 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 177.421 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -60.69 -24.45 65.64 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 114.232 -1.349 . . . . 0.0 108.933 178.001 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.434 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -51.93 -35.38 45.53 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 114.704 -1.134 . . . . 0.0 110.775 -178.078 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.617 HG13 ' N ' ' B' ' 55' ' ' ASP . 7.4 p -58.88 -44.79 91.5 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 C-N-CA 119.284 -0.966 . . . . 0.0 109.583 178.632 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.617 ' N ' HG13 ' B' ' 54' ' ' VAL . 92.4 m-20 -63.11 -41.93 99.47 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.911 178.655 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -59.84 -39.42 85.08 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.995 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.434 HG23 ' O ' ' B' ' 53' ' ' ALA . 72.3 t -65.45 -44.78 94.23 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 C-N-CA 120.385 -0.526 . . . . 0.0 110.4 179.188 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -71.1 -33.15 69.9 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 114.561 1.319 . . . . 0.0 114.561 -179.116 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 12.4 mtmm -58.16 -40.92 82.63 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 119.631 -0.828 . . . . 0.0 113.041 -177.763 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -71.22 -34.75 71.11 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 119.67 -0.812 . . . . 0.0 110.178 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.455 ' O ' ' CD ' ' B' ' 73' ' ' GLU . 88.1 mt -67.5 -34.7 77.67 Favored 'General case' 0 CA--C 1.511 -0.552 0 CA-C-N 115.509 -0.769 . . . . 0.0 112.291 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.495 ' OD1' ' OD1' ' B' ' 66' ' ' ASP . 49.3 t0 -72.14 84.65 1.02 Allowed 'General case' 0 N--CA 1.445 -0.718 0 C-N-CA 118.537 -1.265 . . . . 0.0 111.301 -177.531 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -63.49 -47.42 81.81 Favored 'General case' 0 CA--C 1.506 -0.744 0 CA-C-O 122.517 1.151 . . . . 0.0 110.727 176.732 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 31.9 m120 -59.29 -35.58 74.01 Favored 'General case' 0 C--N 1.3 -1.552 0 CA-C-N 112.692 -2.049 . . . . 0.0 111.281 -179.343 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.82 17.33 70.54 Favored Glycine 0 CA--C 1.521 0.442 0 N-CA-C 108.487 -1.845 . . . . 0.0 108.487 -177.79 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.522 ' O ' ' OE1' ' B' ' 68' ' ' GLU . 24.4 p-10 -86.54 1.04 53.03 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 112.794 0.664 . . . . 0.0 112.794 -178.367 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 82.64 2.38 90.63 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 178.45 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.522 ' OE1' ' O ' ' B' ' 66' ' ' ASP . 52.8 mp0 -119.98 156.79 30.17 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-O 121.448 0.642 . . . . 0.0 112.125 179.702 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.4 HG21 HD22 ' B' ' 33' ' ' LEU . 45.1 t -106.55 131.56 56.03 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.546 0 N-CA-C 107.335 -1.357 . . . . 0.0 107.335 176.719 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.538 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 50.2 t0 -100.88 160.81 14.06 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.083 0.468 . . . . 0.0 111.283 -178.123 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.538 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 1.0 OUTLIER -50.44 -44.49 55.41 Favored 'General case' 0 C--O 1.218 -0.588 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.387 -178.778 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -62.28 -40.56 96.65 Favored 'General case' 0 C--O 1.244 0.778 0 C-N-CA 119.876 -0.73 . . . . 0.0 111.051 178.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.47 ' O ' HG22 ' B' ' 76' ' ' VAL . 86.5 mt-10 -64.44 -42.08 96.2 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-O 122.422 1.106 . . . . 0.0 109.615 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -63.49 -41.19 98.57 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-N 114.333 -1.303 . . . . 0.0 110.231 178.712 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.637 HG13 ' HB1' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -60.45 -47.88 90.74 Favored 'Isoleucine or valine' 0 C--O 1.248 0.995 0 CA-C-N 113.725 -1.579 . . . . 0.0 109.843 -178.899 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.47 HG22 ' O ' ' B' ' 73' ' ' GLU . 15.9 m -67.54 -34.36 67.83 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 C-N-CA 117.88 -1.528 . . . . 0.0 109.343 178.587 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.728 ' O ' HD13 ' B' ' 81' ' ' LEU . 25.1 tp -57.37 -50.76 71.94 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 118.902 -1.119 . . . . 0.0 111.627 178.725 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 33.6 m -69.38 -35.93 69.52 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.263 0 C-N-CA 118.775 -1.17 . . . . 0.0 111.664 -179.153 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.734 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . . . -68.54 -49.01 62.78 Favored 'General case' 0 C--O 1.25 1.129 0 C-N-CA 118.981 -1.088 . . . . 0.0 111.759 -179.378 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.02 -39.3 94.34 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.115 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.728 HD13 ' O ' ' B' ' 77' ' ' LEU . 10.1 mp -65.66 -34.43 78.2 Favored 'General case' 0 C--O 1.218 -0.571 0 C-N-CA 119.31 -0.956 . . . . 0.0 109.828 176.813 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 37.8 m -63.21 -50.35 70.64 Favored 'General case' 0 C--O 1.246 0.911 0 C-N-CA 119.756 -0.778 . . . . 0.0 111.327 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.494 ' O ' ' OD1' ' B' ' 87' ' ' ASN . 12.9 p -63.9 -39.19 84.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 119.069 -1.052 . . . . 0.0 110.679 178.84 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.68 -30.13 70.78 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 121.099 0.476 . . . . 0.0 109.993 178.632 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 34.0 t -68.36 -55.31 12.47 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.691 -179.628 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.481 ' ND2' HG23 ' A' ' 12' ' ' ILE . 53.7 t-20 -56.73 -40.21 75.31 Favored 'General case' 0 C--O 1.24 0.575 0 C-N-CA 118.372 -1.331 . . . . 0.0 108.479 179.011 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 87' ' ' ASN . . . . . 0.668 ' O ' ' HB2' ' B' ' 91' ' ' GLU . 24.0 m120 -58.89 -40.37 84.25 Favored 'General case' 0 C--O 1.198 -1.616 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 177.618 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.564 ' O ' ' O ' ' B' ' 91' ' ' GLU . 68.4 t80 -63.57 -40.51 97.15 Favored 'General case' 0 C--N 1.302 -1.474 0 C-N-CA 118.23 -1.388 . . . . 0.0 110.528 178.753 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -64.23 -60.8 2.77 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 120.007 -0.677 . . . . 0.0 112.317 -178.396 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 90' ' ' TRP . . . . . 0.621 ' CD2' ' OH ' ' A' ' 26' ' ' TYR . 20.1 t-105 -68.97 -44.02 73.76 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 119.701 -0.8 . . . . 0.0 111.434 179.012 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 91' ' ' GLU . . . . . 0.668 ' HB2' ' O ' ' B' ' 87' ' ' ASN . 93.7 mt-10 . . . . . 0 C--N 1.319 -0.747 0 CA-C-N 114.317 -1.31 . . . . 0.0 111.634 -179.557 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 . . . . . 0 C--O 1.231 0.096 0 N-CA-C 113.199 0.815 . . . . 0.0 113.199 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.723 ' O ' HD23 ' A' ' 4' ' ' LEU . 5.1 tt -64.23 -42.08 96.71 Favored 'General case' 0 C--O 1.241 0.653 0 C-N-CA 119.201 -1.0 . . . . 0.0 108.716 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.453 ' OE1' ' C ' ' A' ' 5' ' ' GLU . 6.4 tm-20 -63.72 -40.49 96.89 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 114.617 -1.174 . . . . 0.0 109.127 179.508 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 44.3 m -60.4 -39.59 87.91 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.179 178.553 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.59 -43.51 96.72 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.934 179.499 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 97.7 mtp -59.21 -41.3 88.26 Favored 'General case' 0 C--O 1.248 1.017 0 CA-C-O 121.924 0.869 . . . . 0.0 109.079 178.756 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -64.76 -35.35 80.78 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 114.917 -1.038 . . . . 0.0 110.151 178.025 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 50.3 m -64.52 -43.59 93.55 Favored 'General case' 0 N--CA 1.445 -0.681 0 C-N-CA 120.001 -0.679 . . . . 0.0 110.292 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 38.6 mt -62.24 -42.87 99.7 Favored 'General case' 0 C--O 1.24 0.565 0 C-N-CA 119.317 -0.953 . . . . 0.0 108.984 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.19 -46.18 97.04 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.118 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.49 178.781 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -61.98 -41.18 97.74 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 -178.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.1 m -73.51 -41.06 56.21 Favored 'Isoleucine or valine' 0 C--O 1.254 1.329 0 C-N-CA 119.138 -1.025 . . . . 0.0 111.317 -179.381 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -60.24 -47.06 87.6 Favored 'General case' 0 CA--C 1.514 -0.441 0 C-N-CA 119.28 -0.968 . . . . 0.0 109.491 177.586 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -63.33 -35.25 79.74 Favored 'General case' 0 CA--C 1.504 -0.79 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.649 177.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.56 ' O ' ' HB2' ' A' ' 21' ' ' LYS . . . -57.59 -51.2 70.48 Favored 'General case' 0 N--CA 1.436 -1.128 0 C-N-CA 118.835 -1.146 . . . . 0.0 109.621 -178.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.499 ' HB2' HD12 ' A' ' 36' ' ' LEU . 47.6 m80 -79.13 -52.86 7.61 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 114.687 1.366 . . . . 0.0 114.687 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.453 ' OG ' ' O ' ' A' ' 24' ' ' ASP . 22.7 t -57.99 -40.5 80.86 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 118.979 -1.089 . . . . 0.0 108.917 -179.081 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -71.66 -43.33 52.21 Favored Glycine 0 C--N 1.341 0.821 0 CA-C-N 115.324 -0.853 . . . . 0.0 112.486 178.65 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.56 ' HB2' ' O ' ' A' ' 17' ' ' ALA . 7.0 ttpm? -58.46 -44.24 89.17 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 119.941 -0.704 . . . . 0.0 111.705 -179.651 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.525 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 84.8 tt0 -135.91 139.3 43.19 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.178 -0.609 . . . . 0.0 110.832 -179.72 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.96 -163.15 52.2 Favored Glycine 0 CA--C 1.521 0.433 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 178.536 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.453 ' O ' ' OG ' ' A' ' 19' ' ' SER . 89.2 m-20 -67.99 142.45 55.94 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 178.729 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.434 ' HZ1' ' HH2' ' B' ' 90' ' ' TRP . 26.3 mtmt -61.1 -32.52 72.19 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.574 -0.739 . . . . 0.0 112.678 -177.808 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.604 ' OH ' ' CE3' ' B' ' 90' ' ' TRP . 98.8 m-85 -106.6 18.16 22.28 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 113.045 0.758 . . . . 0.0 113.045 -177.705 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.424 ' CG ' ' OE2' ' A' ' 68' ' ' GLU . 38.7 tptt -140.49 140.7 35.37 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 119.065 -1.054 . . . . 0.0 108.91 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.4 tp -117.17 131.42 56.88 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.277 -175.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 87.2 p -99.24 165.64 11.6 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 116.751 -0.204 . . . . 0.0 111.064 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.0 ttpm? -54.24 -48.39 71.17 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-O 121.226 0.536 . . . . 0.0 111.857 -177.586 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.586 ' HG3' ' N ' ' A' ' 32' ' ' GLU . 24.8 pttm -61.31 -47.87 83.95 Favored 'General case' 0 N--CA 1.439 -0.987 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.292 -178.722 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.586 ' N ' ' HG3' ' A' ' 31' ' ' LYS . 95.7 mt-10 -62.84 -48.91 77.01 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 120.054 -0.658 . . . . 0.0 112.09 -178.854 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.1 pp -61.66 -35.82 79.05 Favored 'General case' 0 CA--C 1.501 -0.929 0 C-N-CA 118.53 -1.268 . . . . 0.0 109.85 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.522 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 1.1 tptm -55.96 -36.61 68.0 Favored 'General case' 0 N--CA 1.434 -1.226 0 C-N-CA 118.584 -1.246 . . . . 0.0 108.041 178.154 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.859 ' O ' HG23 ' A' ' 39' ' ' THR . 77.1 mm-40 -74.26 -40.41 62.37 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 179.162 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.744 ' O ' HD23 ' A' ' 36' ' ' LEU . 4.1 tt -65.7 -45.57 82.28 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 119.774 -0.77 . . . . 0.0 111.384 -177.225 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.573 ' O ' ' O ' ' A' ' 41' ' ' LEU . 1.3 mm? -64.25 -43.61 94.37 Favored 'General case' 0 N--CA 1.462 0.148 0 C-N-CA 118.941 -1.104 . . . . 0.0 111.049 179.792 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.522 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 25.5 mt-30 -63.64 -39.25 93.87 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 120.454 -0.498 . . . . 0.0 111.612 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.859 HG23 ' O ' ' A' ' 35' ' ' GLU . 64.1 p -71.36 -32.87 69.03 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.571 -0.451 . . . . 0.0 111.2 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -101.86 -59.61 1.67 Allowed 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -178.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.573 ' O ' ' O ' ' A' ' 37' ' ' LEU . 51.3 mt -99.43 141.82 31.72 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.213 0.53 . . . . 0.0 111.521 -179.146 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.6 t -113.09 -59.97 1.95 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.674 179.618 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.92 -39.31 93.89 Favored Glycine 0 CA--C 1.531 1.088 0 CA-C-N 116.018 -0.537 . . . . 0.0 114.215 -178.044 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -62.02 -52.52 63.65 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 118.029 0.914 . . . . 0.0 112.729 -178.072 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -73.03 -38.57 66.49 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.444 -0.502 . . . . 0.0 111.769 178.705 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 57.0 t0 -60.2 -30.13 69.17 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.54 -179.584 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.17 -29.12 60.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.093 -0.503 . . . . 0.0 112.275 -177.312 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 90.2 mm-40 -90.66 121.37 32.51 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 119.442 -0.903 . . . . 0.0 110.169 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -62.66 -39.16 93.03 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 113.68 0.993 . . . . 0.0 113.68 -179.158 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -69.69 142.35 53.38 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -177.421 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.3 m -74.25 -27.82 22.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.422 178.521 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -81.98 3.83 25.06 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.213 179.399 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.525 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -55.84 -36.97 68.11 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.542 -179.599 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.541 HG13 ' N ' ' A' ' 55' ' ' ASP . 8.4 p -60.79 -42.01 90.68 Favored 'Isoleucine or valine' 0 C--O 1.243 0.749 0 C-N-CA 120.106 -0.638 . . . . 0.0 109.558 178.421 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.541 ' N ' HG13 ' A' ' 54' ' ' VAL . 21.8 t70 -59.89 -42.69 94.36 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.478 -0.783 . . . . 0.0 108.986 179.004 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -63.0 -37.7 88.21 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.171 -0.922 . . . . 0.0 110.239 178.395 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 53' ' ' ALA . 70.9 t -63.46 -45.08 98.84 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.107 0 CA-C-N 116.065 -0.516 . . . . 0.0 112.053 -178.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.554 ' CE ' ' O ' ' A' ' 67' ' ' GLY . 1.5 ptp -65.24 -31.91 73.31 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 -178.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.1 mtmm -57.85 -42.41 84.4 Favored 'General case' 0 C--O 1.231 0.118 0 C-N-CA 119.65 -0.82 . . . . 0.0 112.298 -177.31 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -66.79 -39.74 87.89 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.408 0.623 . . . . 0.0 110.677 178.749 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 65.9 mt -68.24 -33.36 74.26 Favored 'General case' 0 CA--C 1.513 -0.47 0 CA-C-N 114.842 -1.072 . . . . 0.0 112.948 -178.715 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.578 ' OD2' ' N ' ' A' ' 66' ' ' ASP . 40.3 t0 -77.62 99.04 5.63 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 119.005 -1.078 . . . . 0.0 112.553 -176.604 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -67.26 -47.36 70.94 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-O 122.643 1.211 . . . . 0.0 111.221 176.085 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 31.4 m120 -58.8 -34.86 71.96 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-N 112.41 -2.177 . . . . 0.0 113.126 -177.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.488 ' C ' ' OD2' ' A' ' 62' ' ' ASP . . . 91.74 2.33 69.78 Favored Glycine 0 CA--C 1.528 0.855 0 N-CA-C 108.35 -1.9 . . . . 0.0 108.35 -177.128 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.67 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 47.4 p30 -62.59 -33.95 76.02 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 114.214 -0.993 . . . . 0.0 112.544 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.67 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 95.57 -2.15 64.62 Favored Glycine 0 C--O 1.226 -0.353 0 N-CA-C 109.356 -1.498 . . . . 0.0 109.356 -178.806 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.447 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 81.8 tt0 -113.55 143.34 44.71 Favored 'General case' 0 C--O 1.243 0.754 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 179.457 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 47.2 t -97.98 135.07 33.93 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.44 0 CA-C-N 116.137 -0.483 . . . . 0.0 112.036 -175.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.563 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 53.9 t0 -100.24 158.59 15.76 Favored 'General case' 0 N--CA 1.462 0.125 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.21 -179.588 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.563 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 1.0 OUTLIER -50.63 -43.96 57.2 Favored 'General case' 0 C--O 1.217 -0.62 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.63 -178.563 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.413 ' HG2' HG21 ' B' ' 83' ' ' VAL . 94.2 mt-30 -61.51 -40.33 94.21 Favored 'General case' 0 C--O 1.244 0.766 0 C-N-CA 119.712 -0.795 . . . . 0.0 110.69 179.096 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.443 ' O ' HG22 ' A' ' 76' ' ' VAL . 92.2 mt-10 -65.07 -42.11 94.46 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-O 122.111 0.958 . . . . 0.0 109.925 179.745 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -63.22 -40.97 98.98 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-N 114.9 -1.046 . . . . 0.0 109.837 178.458 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.62 HG13 ' HB1' ' B' ' 79' ' ' ALA . 0.5 OUTLIER -60.37 -48.02 90.04 Favored 'Isoleucine or valine' 0 C--O 1.248 0.975 0 CA-C-N 113.686 -1.597 . . . . 0.0 110.135 -179.066 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.443 HG22 ' O ' ' A' ' 73' ' ' GLU . 14.4 m -67.47 -34.87 71.22 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.495 0 C-N-CA 117.747 -1.581 . . . . 0.0 109.25 178.855 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.627 ' O ' HD13 ' A' ' 81' ' ' LEU . 30.0 tp -56.21 -52.19 65.33 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 118.765 -1.174 . . . . 0.0 111.677 178.224 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 34.4 m -68.03 -36.61 76.12 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 C-N-CA 118.487 -1.285 . . . . 0.0 111.852 -179.022 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.718 ' HB2' ' HB2' ' B' ' 79' ' ' ALA . . . -68.9 -49.32 59.19 Favored 'General case' 0 C--O 1.248 1.007 0 C-N-CA 119.072 -1.051 . . . . 0.0 112.24 -179.109 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.92 -39.92 96.02 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.627 HD13 ' O ' ' A' ' 77' ' ' LEU . 10.7 mp -65.05 -34.48 78.53 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 119.213 -0.995 . . . . 0.0 109.71 176.837 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 40.0 m -62.95 -50.05 72.34 Favored 'General case' 0 C--O 1.243 0.754 0 C-N-CA 119.71 -0.796 . . . . 0.0 111.479 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.417 HG21 ' HG2' ' B' ' 72' ' ' GLN . 13.7 p -64.16 -39.3 85.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 119.188 -1.005 . . . . 0.0 110.693 178.827 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.563 ' O ' ' CD1' ' A' ' 88' ' ' PHE . . . -65.58 -30.58 71.33 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 121.1 0.476 . . . . 0.0 109.892 178.781 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 45.2 t -68.05 -54.42 18.42 Favored 'General case' 0 CA--C 1.511 -0.521 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.478 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 34.7 t30 -56.44 -41.1 75.89 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 118.744 -1.183 . . . . 0.0 108.721 179.029 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -59.49 -38.24 80.35 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.945 178.362 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.563 ' CD1' ' O ' ' A' ' 84' ' ' ALA . 4.5 m-30 -66.31 -41.23 90.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.864 179.394 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -64.59 -52.31 58.21 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.191 -0.604 . . . . 0.0 111.408 -179.348 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.591 ' CE3' ' OH ' ' B' ' 26' ' ' TYR . 22.8 t-105 -66.65 -39.48 88.26 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-O 121.232 0.539 . . . . 0.0 112.023 179.155 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.54 ' O ' ' O ' ' A' ' 88' ' ' PHE . 4.8 tm-20 . . . . . 0 C--N 1.321 -0.659 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.935 -176.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 . . . . . 0 C--O 1.231 0.12 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.733 ' O ' HD23 ' B' ' 4' ' ' LEU . 5.1 tt -64.26 -42.02 96.67 Favored 'General case' 0 C--O 1.24 0.601 0 C-N-CA 119.222 -0.991 . . . . 0.0 108.72 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 5' ' ' GLU . . . . . 0.452 ' C ' ' OE1' ' B' ' 5' ' ' GLU . 6.4 tm-20 -63.79 -40.48 96.77 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 114.586 -1.188 . . . . 0.0 109.034 179.526 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 44.3 m -60.42 -39.53 87.78 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.208 178.624 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.51 -43.54 96.9 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.964 179.439 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 97.7 mtp -59.35 -41.25 88.77 Favored 'General case' 0 C--O 1.25 1.101 0 CA-C-O 121.81 0.814 . . . . 0.0 109.07 178.791 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -64.74 -36.17 83.42 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.009 178.067 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 50.3 m -63.65 -43.78 95.76 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 119.922 -0.711 . . . . 0.0 110.455 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 43.8 mt -62.31 -42.75 99.63 Favored 'General case' 0 C--O 1.24 0.589 0 C-N-CA 119.367 -0.933 . . . . 0.0 108.995 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.18 -46.11 97.19 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.481 178.755 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -61.97 -41.26 97.81 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -178.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 14.1 m -73.49 -40.99 56.32 Favored 'Isoleucine or valine' 0 C--O 1.254 1.321 0 C-N-CA 119.092 -1.043 . . . . 0.0 111.275 -179.4 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -60.33 -47.08 87.59 Favored 'General case' 0 CA--C 1.512 -0.491 0 C-N-CA 119.322 -0.951 . . . . 0.0 109.444 177.616 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -63.38 -35.09 79.26 Favored 'General case' 0 CA--C 1.502 -0.866 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.692 177.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.549 ' O ' ' HB2' ' B' ' 21' ' ' LYS . . . -57.64 -51.17 70.62 Favored 'General case' 0 N--CA 1.437 -1.111 0 C-N-CA 118.832 -1.147 . . . . 0.0 109.62 -178.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.536 ' HB2' HD12 ' B' ' 36' ' ' LEU . 47.4 m80 -79.12 -52.95 7.5 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 114.671 1.36 . . . . 0.0 114.671 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.424 ' OG ' ' O ' ' B' ' 24' ' ' ASP . 22.6 t -57.86 -40.61 80.58 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 119.022 -1.071 . . . . 0.0 108.989 -179.164 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -71.61 -43.35 52.56 Favored Glycine 0 C--N 1.341 0.81 0 CA-C-N 115.336 -0.847 . . . . 0.0 112.47 178.643 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' LYS . . . . . 0.549 ' HB2' ' O ' ' B' ' 17' ' ' ALA . 7.0 ttpm? -58.58 -44.13 89.67 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 119.95 -0.7 . . . . 0.0 111.638 -179.575 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.534 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 84.7 tt0 -135.93 139.25 43.12 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.303 -0.559 . . . . 0.0 110.962 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.93 -163.06 52.17 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 178.606 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' ASP . . . . . 0.424 ' O ' ' OG ' ' B' ' 19' ' ' SER . 88.9 m-20 -68.05 142.47 55.86 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 178.711 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 26.2 mtmt -61.17 -32.54 72.28 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.54 -0.755 . . . . 0.0 112.588 -177.755 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.591 ' OH ' ' CE3' ' A' ' 90' ' ' TRP . 98.7 m-85 -106.47 18.15 22.35 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 -177.75 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.422 ' CG ' ' OE2' ' B' ' 68' ' ' GLU . 39.6 tptt -140.41 140.82 35.54 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 119.083 -1.047 . . . . 0.0 109.044 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 14.5 tp -117.29 131.5 56.8 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.184 -175.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 87.4 p -99.35 165.64 11.57 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 116.792 -0.185 . . . . 0.0 111.078 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 5.0 ttpm? -54.28 -48.41 71.28 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 121.218 0.532 . . . . 0.0 111.908 -177.557 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.579 ' HG3' ' N ' ' B' ' 32' ' ' GLU . 24.8 pttm -61.34 -47.82 84.14 Favored 'General case' 0 N--CA 1.439 -0.999 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.263 -178.753 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.579 ' N ' ' HG3' ' B' ' 31' ' ' LYS . 95.7 mt-10 -62.74 -49.02 76.67 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 120.01 -0.676 . . . . 0.0 112.097 -178.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.1 pp -61.55 -35.94 79.2 Favored 'General case' 0 CA--C 1.5 -0.959 0 C-N-CA 118.53 -1.268 . . . . 0.0 109.841 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.531 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 1.0 OUTLIER -55.82 -36.63 67.67 Favored 'General case' 0 N--CA 1.434 -1.263 0 C-N-CA 118.597 -1.241 . . . . 0.0 108.198 178.146 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.875 ' O ' HG23 ' B' ' 39' ' ' THR . 77.2 mm-40 -74.27 -40.41 62.35 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 179.118 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.746 ' O ' HD23 ' B' ' 36' ' ' LEU . 4.2 tt -65.62 -45.64 82.35 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 119.773 -0.771 . . . . 0.0 111.428 -177.215 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.574 ' O ' ' O ' ' B' ' 41' ' ' LEU . 1.3 mm? -64.25 -43.57 94.48 Favored 'General case' 0 N--CA 1.462 0.175 0 C-N-CA 118.89 -1.124 . . . . 0.0 111.083 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.531 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 25.5 mt-30 -63.62 -39.27 93.93 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.486 -0.486 . . . . 0.0 111.648 179.671 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.875 HG23 ' O ' ' B' ' 35' ' ' GLU . 64.6 p -71.38 -32.87 68.98 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.578 -0.449 . . . . 0.0 111.181 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -101.8 -59.65 1.67 Allowed 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 113.361 0.875 . . . . 0.0 113.361 -178.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.574 ' O ' ' O ' ' B' ' 37' ' ' LEU . 51.8 mt -99.52 141.73 31.93 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.271 0.558 . . . . 0.0 111.506 -179.075 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 2.6 t -112.99 -59.92 1.95 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.73 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.96 -39.36 94.06 Favored Glycine 0 CA--C 1.531 1.051 0 CA-C-N 115.973 -0.558 . . . . 0.0 114.136 -178.047 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -62.11 -52.41 63.99 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 118.052 0.926 . . . . 0.0 112.726 -177.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -73.04 -38.58 66.46 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 120.394 -0.522 . . . . 0.0 111.727 178.687 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 57.0 t0 -60.21 -30.04 69.13 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.617 -179.622 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.22 -29.14 60.57 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.338 0.495 . . . . 0.0 112.338 -177.369 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 90.2 mm-40 -90.55 121.35 32.41 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 119.439 -0.905 . . . . 0.0 110.179 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -62.66 -39.18 93.1 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 -179.149 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -69.7 142.34 53.36 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -177.404 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 4.4 m -74.3 -27.72 21.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.39 178.579 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -82.01 3.81 25.23 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.214 179.396 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.527 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -55.88 -36.9 68.15 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.519 -179.541 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.543 HG13 ' N ' ' B' ' 55' ' ' ASP . 8.4 p -60.72 -41.99 90.38 Favored 'Isoleucine or valine' 0 C--O 1.244 0.787 0 C-N-CA 120.144 -0.622 . . . . 0.0 109.605 178.328 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.543 ' N ' HG13 ' B' ' 54' ' ' VAL . 21.9 t70 -59.92 -42.79 94.68 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.466 -0.788 . . . . 0.0 108.917 179.012 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -62.81 -37.89 88.52 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.175 178.467 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.527 HG23 ' O ' ' B' ' 53' ' ' ALA . 71.0 t -63.48 -45.02 98.98 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.054 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.039 -178.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.542 ' CE ' ' O ' ' B' ' 67' ' ' GLY . 1.5 ptp -65.39 -31.75 73.02 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 113.345 0.869 . . . . 0.0 113.345 -178.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 19.2 mtmm -57.87 -42.43 84.55 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 119.694 -0.803 . . . . 0.0 112.27 -177.335 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -66.83 -39.62 87.72 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.455 0.645 . . . . 0.0 110.724 178.751 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 65.9 mt -68.3 -33.39 74.24 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 114.928 -1.033 . . . . 0.0 112.948 -178.733 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.581 ' OD2' ' N ' ' B' ' 66' ' ' ASP . 40.3 t0 -77.56 98.99 5.56 Favored 'General case' 0 C--N 1.319 -0.748 0 C-N-CA 119.04 -1.064 . . . . 0.0 112.535 -176.578 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -67.26 -47.27 71.22 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-O 122.646 1.213 . . . . 0.0 111.221 176.07 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 31.4 m120 -58.92 -34.82 72.14 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-N 112.45 -2.159 . . . . 0.0 113.029 -177.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.483 ' C ' ' OD2' ' B' ' 62' ' ' ASP . . . 91.63 2.39 69.99 Favored Glycine 0 CA--C 1.528 0.845 0 N-CA-C 108.332 -1.907 . . . . 0.0 108.332 -177.064 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.666 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 47.2 p30 -62.64 -33.93 76.02 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 114.24 -0.98 . . . . 0.0 112.514 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.666 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 95.58 -2.18 64.62 Favored Glycine 0 C--O 1.226 -0.347 0 N-CA-C 109.337 -1.505 . . . . 0.0 109.337 -178.76 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.425 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 82.0 tt0 -113.55 143.38 44.64 Favored 'General case' 0 C--O 1.243 0.73 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.531 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 47.4 t -98.01 135.03 34.14 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.392 0 CA-C-N 116.155 -0.475 . . . . 0.0 112.023 -175.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.562 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 53.3 t0 -99.99 158.62 15.69 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.131 -179.559 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.562 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 1.0 OUTLIER -50.77 -43.98 58.6 Favored 'General case' 0 C--O 1.217 -0.62 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.57 -178.743 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.417 ' HG2' HG21 ' A' ' 83' ' ' VAL . 94.2 mt-30 -61.42 -40.37 94.19 Favored 'General case' 0 C--O 1.243 0.753 0 C-N-CA 119.691 -0.803 . . . . 0.0 110.727 179.046 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.444 ' O ' HG22 ' B' ' 76' ' ' VAL . 92.3 mt-10 -65.04 -42.13 94.58 Favored 'General case' 0 C--O 1.243 0.711 0 CA-C-O 122.139 0.971 . . . . 0.0 109.902 179.775 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -63.2 -41.0 99.1 Favored 'General case' 0 C--O 1.241 0.626 0 CA-C-N 114.854 -1.066 . . . . 0.0 109.82 178.529 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.602 HG13 ' HB1' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -60.36 -48.08 89.78 Favored 'Isoleucine or valine' 0 C--O 1.248 0.99 0 CA-C-N 113.689 -1.596 . . . . 0.0 110.174 -179.084 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.444 HG22 ' O ' ' B' ' 73' ' ' GLU . 14.5 m -67.37 -34.88 71.6 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.544 0 C-N-CA 117.762 -1.575 . . . . 0.0 109.324 178.751 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.632 ' O ' HD13 ' B' ' 81' ' ' LEU . 30.3 tp -56.24 -52.18 65.38 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 118.758 -1.177 . . . . 0.0 111.619 178.239 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 34.5 m -68.07 -36.61 76.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 118.413 -1.315 . . . . 0.0 111.828 -178.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.718 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . . . -68.85 -49.28 59.69 Favored 'General case' 0 C--O 1.248 0.975 0 C-N-CA 118.975 -1.09 . . . . 0.0 112.3 -179.135 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.92 -39.86 95.85 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.632 HD13 ' O ' ' B' ' 77' ' ' LEU . 10.7 mp -65.06 -34.52 78.62 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 119.204 -0.998 . . . . 0.0 109.751 176.69 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 40.3 m -63.0 -49.95 72.66 Favored 'General case' 0 C--O 1.244 0.803 0 C-N-CA 119.678 -0.809 . . . . 0.0 111.438 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.413 HG21 ' HG2' ' A' ' 72' ' ' GLN . 13.7 p -64.21 -39.2 84.67 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 119.167 -1.013 . . . . 0.0 110.751 178.794 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.574 ' O ' ' CD1' ' B' ' 88' ' ' PHE . . . -65.58 -30.58 71.33 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 121.13 0.491 . . . . 0.0 109.96 178.717 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 44.8 t -68.06 -54.45 18.22 Favored 'General case' 0 CA--C 1.511 -0.526 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.495 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 34.7 t30 -56.37 -41.13 75.67 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 118.713 -1.195 . . . . 0.0 108.697 178.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -59.5 -38.22 80.34 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.939 178.447 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.574 ' CD1' ' O ' ' B' ' 84' ' ' ALA . 4.5 m-30 -66.42 -41.14 89.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.866 179.423 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -64.59 -52.35 58.0 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.214 -0.594 . . . . 0.0 111.404 -179.372 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 90' ' ' TRP . . . . . 0.604 ' CE3' ' OH ' ' A' ' 26' ' ' TYR . 22.9 t-105 -66.66 -39.33 88.13 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 121.153 0.501 . . . . 0.0 111.998 179.161 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 91' ' ' GLU . . . . . 0.554 ' O ' ' O ' ' B' ' 88' ' ' PHE . 4.8 tm-20 . . . . . 0 C--N 1.321 -0.64 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.842 -176.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 42.7 tp10 . . . . . 0 C--O 1.237 0.437 0 CA-C-O 121.119 0.485 . . . . 0.0 109.743 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.735 ' O ' HD23 ' A' ' 4' ' ' LEU . 4.8 tt -59.67 -39.82 85.73 Favored 'General case' 0 C--O 1.238 0.493 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 178.781 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.448 ' OE1' ' C ' ' A' ' 5' ' ' GLU . 5.6 tm-20 -61.63 -39.91 93.0 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 114.571 -1.195 . . . . 0.0 108.993 179.171 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 41.7 m -60.4 -40.84 92.37 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 108.96 -0.755 . . . . 0.0 108.96 178.586 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.07 -40.42 97.61 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 120.113 -0.635 . . . . 0.0 109.887 179.092 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 98.4 mtp -59.53 -41.28 89.64 Favored 'General case' 0 C--O 1.251 1.181 0 CA-C-O 122.133 0.968 . . . . 0.0 108.596 178.677 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -64.0 -35.44 80.72 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 114.63 -1.168 . . . . 0.0 109.662 177.779 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 73.6 m -63.86 -44.1 94.13 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 120.211 -0.596 . . . . 0.0 110.879 179.491 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 35.8 mt -62.18 -42.16 99.02 Favored 'General case' 0 C--O 1.239 0.538 0 C-N-CA 119.34 -0.944 . . . . 0.0 108.463 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.7 mt -61.76 -45.44 98.67 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.4 178.396 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -62.22 -41.98 98.88 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 -178.677 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.5 m -74.12 -41.24 51.91 Favored 'Isoleucine or valine' 0 C--O 1.253 1.288 0 C-N-CA 119.152 -1.019 . . . . 0.0 111.494 -179.434 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -60.82 -46.96 88.48 Favored 'General case' 0 CA--C 1.51 -0.586 0 C-N-CA 119.261 -0.976 . . . . 0.0 109.393 177.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -63.34 -35.69 81.23 Favored 'General case' 0 CA--C 1.5 -0.968 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.951 177.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.544 ' O ' ' HB2' ' A' ' 21' ' ' LYS . . . -57.75 -51.47 69.42 Favored 'General case' 0 N--CA 1.434 -1.266 0 C-N-CA 118.753 -1.179 . . . . 0.0 109.632 -178.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.493 ' CD2' ' HG ' ' A' ' 36' ' ' LEU . 29.9 m-70 -79.11 -52.5 8.1 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.479 ' O ' ' O ' ' A' ' 22' ' ' GLU . 23.1 t -58.09 -40.72 81.84 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 119.232 -0.987 . . . . 0.0 109.222 -179.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -70.63 -43.62 59.78 Favored Glycine 0 C--N 1.345 1.072 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.137 178.068 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.544 ' HB2' ' O ' ' A' ' 17' ' ' ALA . 6.1 ttpm? -58.46 -42.38 87.32 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 119.816 -0.754 . . . . 0.0 111.317 -179.515 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.479 ' O ' ' O ' ' A' ' 19' ' ' SER . 77.2 mm-40 -129.97 150.17 51.37 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 120.808 -0.357 . . . . 0.0 111.63 179.21 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.97 -151.76 25.51 Favored Glycine 0 CA--C 1.524 0.64 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.949 178.062 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.426 ' O ' ' OG ' ' A' ' 19' ' ' SER . 89.2 m-20 -72.68 140.65 48.03 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 121.213 0.53 . . . . 0.0 110.434 179.407 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.447 ' HB2' ' CD2' ' A' ' 26' ' ' TYR . 47.9 mttm -61.37 -32.73 72.64 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.814 -178.806 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.603 ' OH ' ' CG ' ' B' ' 90' ' ' TRP . 98.6 m-85 -103.11 16.0 27.8 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.038 -0.983 . . . . 0.0 113.262 -175.437 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.426 ' CG ' ' OE2' ' A' ' 68' ' ' GLU . 41.1 tptt -143.01 141.85 31.45 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 119.148 -1.021 . . . . 0.0 108.841 179.135 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.7 tp -116.16 132.13 56.75 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 120.709 -0.396 . . . . 0.0 111.165 -176.354 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.2 t -101.86 160.59 14.35 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.827 -179.609 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.1 ttpt -52.46 -45.91 66.28 Favored 'General case' 0 CA--C 1.509 -0.597 0 C-N-CA 120.473 -0.491 . . . . 0.0 111.086 -178.315 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.43 ' HG3' ' N ' ' A' ' 32' ' ' GLU . 1.4 ptpm? -61.28 -40.97 96.11 Favored 'General case' 0 N--CA 1.436 -1.138 0 C-N-CA 119.695 -0.802 . . . . 0.0 110.01 -178.433 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.441 ' OE2' ' C ' ' A' ' 22' ' ' GLU . 94.4 mt-10 -70.48 -53.45 16.25 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 119.888 -0.725 . . . . 0.0 112.46 -178.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.6 pp -59.25 -36.76 76.08 Favored 'General case' 0 CA--C 1.5 -0.958 0 C-N-CA 119.578 -0.849 . . . . 0.0 110.758 -178.753 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.7 tptp -56.42 -37.13 69.78 Favored 'General case' 0 N--CA 1.433 -1.296 0 C-N-CA 118.24 -1.384 . . . . 0.0 108.208 178.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.882 ' O ' HG23 ' A' ' 39' ' ' THR . 97.2 mt-10 -74.99 -40.15 60.84 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 179.259 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.75 ' O ' HD23 ' A' ' 36' ' ' LEU . 4.2 tt -64.95 -45.06 87.3 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 119.75 -0.78 . . . . 0.0 111.025 -177.622 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.559 ' O ' ' O ' ' A' ' 41' ' ' LEU . 1.7 mm? -64.62 -43.53 93.46 Favored 'General case' 0 C--N 1.343 0.284 0 C-N-CA 118.962 -1.095 . . . . 0.0 111.065 179.645 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -62.78 -38.55 91.07 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 120.207 -0.597 . . . . 0.0 111.174 179.378 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.882 HG23 ' O ' ' A' ' 35' ' ' GLU . 62.3 p -71.14 -33.36 70.0 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.556 -0.458 . . . . 0.0 111.268 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -102.15 -60.58 1.51 Allowed 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 113.075 0.769 . . . . 0.0 113.075 -179.286 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.559 ' O ' ' O ' ' A' ' 37' ' ' LEU . 52.2 mt -98.61 141.25 31.68 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.365 0.603 . . . . 0.0 111.727 -178.834 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.2 t -114.37 -57.89 2.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.519 179.412 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.58 -39.69 93.59 Favored Glycine 0 CA--C 1.531 1.033 0 CA-C-N 116.068 -0.515 . . . . 0.0 113.942 -178.258 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -62.79 -53.01 60.78 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 118.001 0.9 . . . . 0.0 112.604 -178.204 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -73.53 -39.37 64.82 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 120.386 -0.525 . . . . 0.0 111.639 178.682 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 58.7 t0 -60.73 -30.33 69.91 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.525 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.24 -29.68 61.37 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.123 -0.49 . . . . 0.0 112.035 -177.378 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.7 mm-40 -91.91 118.65 30.94 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 119.403 -0.919 . . . . 0.0 109.911 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.3 tttt -63.01 -39.39 94.61 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 -178.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -69.69 142.58 53.34 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -177.248 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.5 m -73.49 -27.26 23.2 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.087 178.329 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -76.41 -1.76 28.62 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.419 179.32 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.543 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -56.47 -37.17 69.95 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.026 -179.324 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.59 HG13 ' N ' ' A' ' 55' ' ' ASP . 7.2 p -59.99 -43.92 93.54 Favored 'Isoleucine or valine' 0 C--O 1.241 0.641 0 C-N-CA 120.001 -0.68 . . . . 0.0 110.038 178.651 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.59 ' N ' HG13 ' A' ' 54' ' ' VAL . 94.0 m-20 -61.01 -41.03 95.75 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.116 178.619 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -62.02 -38.08 87.3 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.86 178.439 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 53' ' ' ALA . 76.3 t -65.57 -46.06 90.67 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.11 0 N-CA-C 112.984 0.735 . . . . 0.0 112.984 -178.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.537 ' CE ' ' O ' ' A' ' 67' ' ' GLY . 1.9 ptp -66.69 -34.83 78.73 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 119.235 -0.986 . . . . 0.0 113.224 -177.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 35.9 mmtt -58.93 -41.46 87.41 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 119.277 -0.969 . . . . 0.0 112.131 -178.053 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -66.17 -41.79 89.81 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.001 -0.68 . . . . 0.0 110.922 179.34 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 75.2 mt -68.94 -33.79 74.3 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.083 -0.962 . . . . 0.0 112.778 -179.257 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.658 ' OD2' ' N ' ' A' ' 66' ' ' ASP . 50.8 t0 -79.64 101.3 8.27 Favored 'General case' 0 C--N 1.316 -0.875 0 C-N-CA 119.795 -0.762 . . . . 0.0 112.924 -175.674 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -66.67 -46.23 76.36 Favored 'General case' 0 CA--C 1.51 -0.572 0 CA-C-O 122.713 1.244 . . . . 0.0 111.211 176.043 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -58.33 -33.67 69.76 Favored 'General case' 0 C--N 1.301 -1.543 0 CA-C-N 112.286 -2.234 . . . . 0.0 112.771 -177.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 84.95 16.42 65.29 Favored Glycine 0 CA--C 1.527 0.842 0 N-CA-C 108.689 -1.764 . . . . 0.0 108.689 -177.215 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.658 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 47.0 p30 -85.04 4.45 33.88 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 114.627 -0.786 . . . . 0.0 112.082 -179.075 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.618 ' N ' ' OD2' ' A' ' 62' ' ' ASP . . . 62.5 -4.27 0.68 Allowed Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.716 -0.954 . . . . 0.0 110.716 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.544 ' H ' ' C ' ' A' ' 66' ' ' ASP . 82.8 tt0 -110.43 143.44 40.73 Favored 'General case' 0 C--O 1.243 0.731 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 -179.606 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 62.0 t -100.02 135.1 37.19 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.753 0 CA-C-N 116.188 -0.46 . . . . 0.0 112.061 -176.014 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.55 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 52.9 t0 -99.59 159.33 15.12 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 121.312 0.577 . . . . 0.0 111.238 -179.304 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.55 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 1.0 OUTLIER -50.73 -44.34 58.28 Favored 'General case' 0 C--O 1.22 -0.488 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.76 -178.528 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.423 ' HG2' HG21 ' B' ' 83' ' ' VAL . 94.2 mt-30 -61.6 -40.56 95.22 Favored 'General case' 0 C--O 1.244 0.797 0 C-N-CA 119.752 -0.779 . . . . 0.0 110.763 179.045 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.461 ' O ' HG22 ' A' ' 76' ' ' VAL . 92.3 mt-10 -64.81 -42.15 95.23 Favored 'General case' 0 C--O 1.242 0.7 0 CA-C-O 122.229 1.014 . . . . 0.0 110.0 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -63.21 -41.05 99.1 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-N 114.718 -1.128 . . . . 0.0 109.816 178.307 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.621 HG13 ' HB1' ' B' ' 79' ' ' ALA . 0.5 OUTLIER -59.96 -48.16 88.88 Favored 'Isoleucine or valine' 0 C--O 1.248 1.003 0 CA-C-N 113.589 -1.641 . . . . 0.0 110.132 -179.138 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.461 HG22 ' O ' ' A' ' 73' ' ' GLU . 15.3 m -67.26 -35.15 73.16 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.563 0 C-N-CA 117.83 -1.548 . . . . 0.0 109.406 178.758 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.569 ' O ' HD13 ' A' ' 81' ' ' LEU . 33.1 tp -56.3 -51.97 66.25 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 118.813 -1.155 . . . . 0.0 111.861 178.194 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 34.4 m -68.75 -36.2 73.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 C-N-CA 118.415 -1.314 . . . . 0.0 111.952 -178.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.711 ' HB2' ' HB2' ' B' ' 79' ' ' ALA . . . -68.73 -48.79 62.92 Favored 'General case' 0 C--O 1.249 1.048 0 C-N-CA 118.951 -1.1 . . . . 0.0 112.108 -179.432 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.89 -40.44 97.55 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 179.634 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.569 HD13 ' O ' ' A' ' 77' ' ' LEU . 10.6 mp -65.37 -33.81 76.84 Favored 'General case' 0 C--O 1.216 -0.692 0 C-N-CA 119.141 -1.024 . . . . 0.0 109.913 176.745 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 43.9 m -62.81 -50.18 72.02 Favored 'General case' 0 C--O 1.247 0.931 0 C-N-CA 119.646 -0.822 . . . . 0.0 111.171 179.359 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.432 HG21 ' HG2' ' B' ' 72' ' ' GLN . 13.9 p -63.59 -39.41 85.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.575 0 C-N-CA 118.942 -1.103 . . . . 0.0 110.66 178.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.428 ' O ' ' CD2' ' A' ' 88' ' ' PHE . . . -64.62 -33.78 76.73 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 121.145 0.498 . . . . 0.0 109.826 178.806 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 47.3 t -63.54 -54.13 41.05 Favored 'General case' 0 CA--C 1.506 -0.72 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.242 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -55.86 -40.47 72.95 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 118.484 -1.286 . . . . 0.0 108.62 178.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.69 ' O ' ' HB2' ' A' ' 91' ' ' GLU . 41.0 m-20 -59.89 -41.96 92.76 Favored 'General case' 0 C--O 1.202 -1.445 0 C-N-CA 120.162 -0.615 . . . . 0.0 110.55 178.539 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.533 ' O ' ' O ' ' A' ' 91' ' ' GLU . 76.1 m-85 -66.78 -35.39 79.96 Favored 'General case' 0 C--N 1.31 -1.139 0 C-N-CA 117.198 -1.801 . . . . 0.0 110.696 178.72 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -64.68 -61.5 2.15 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 119.657 -0.817 . . . . 0.0 111.832 -178.786 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.615 ' CG ' ' OH ' ' B' ' 26' ' ' TYR . 17.8 t-105 -69.43 -43.59 73.03 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.691 0.757 . . . . 0.0 111.433 178.758 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.69 ' HB2' ' O ' ' A' ' 87' ' ' ASN . 96.2 mt-10 . . . . . 0 C--N 1.32 -0.708 0 CA-C-N 114.344 -1.298 . . . . 0.0 111.475 -178.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 42.5 tp10 . . . . . 0 C--O 1.238 0.464 0 CA-C-O 121.071 0.462 . . . . 0.0 109.757 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.722 ' O ' HD23 ' B' ' 4' ' ' LEU . 4.8 tt -59.7 -39.82 85.85 Favored 'General case' 0 C--O 1.238 0.448 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 178.793 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 5' ' ' GLU . . . . . 0.459 ' C ' ' OE1' ' B' ' 5' ' ' GLU . 5.6 tm-20 -61.64 -39.88 92.9 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 114.548 -1.205 . . . . 0.0 108.99 179.177 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 41.2 m -60.37 -40.76 91.97 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 178.551 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.11 -40.51 97.84 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.915 179.064 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 98.5 mtp -59.47 -41.25 89.3 Favored 'General case' 0 C--O 1.252 1.236 0 CA-C-O 122.088 0.947 . . . . 0.0 108.652 178.651 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -64.0 -36.0 82.56 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 114.704 -1.134 . . . . 0.0 109.533 177.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 71.0 m -63.22 -44.24 95.85 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 120.143 -0.623 . . . . 0.0 111.071 179.328 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 40.4 mt -62.19 -42.14 99.0 Favored 'General case' 0 C--O 1.24 0.56 0 C-N-CA 119.276 -0.97 . . . . 0.0 108.422 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.7 mt -61.71 -45.44 98.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.518 178.399 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -62.21 -41.89 98.8 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 -178.805 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 15.6 m -74.11 -41.34 51.93 Favored 'Isoleucine or valine' 0 C--O 1.253 1.258 0 C-N-CA 119.256 -0.977 . . . . 0.0 111.432 -179.459 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -60.77 -47.05 88.09 Favored 'General case' 0 CA--C 1.512 -0.51 0 C-N-CA 119.257 -0.977 . . . . 0.0 109.397 177.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -63.17 -35.79 81.49 Favored 'General case' 0 CA--C 1.501 -0.932 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.973 177.733 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.54 ' O ' ' HB2' ' B' ' 21' ' ' LYS . . . -57.73 -51.5 69.29 Favored 'General case' 0 N--CA 1.434 -1.272 0 C-N-CA 118.721 -1.191 . . . . 0.0 109.63 -178.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.508 ' HB2' HD12 ' B' ' 36' ' ' LEU . 30.0 m-70 -78.9 -52.66 7.98 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 114.603 1.334 . . . . 0.0 114.603 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.486 ' OG ' ' O ' ' B' ' 24' ' ' ASP . 23.1 t -58.09 -40.76 81.95 Favored 'General case' 0 C--O 1.233 0.209 0 C-N-CA 119.17 -1.012 . . . . 0.0 109.229 -178.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -70.6 -43.62 60.0 Favored Glycine 0 C--N 1.344 1.002 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.031 178.12 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' LYS . . . . . 0.54 ' HB2' ' O ' ' B' ' 17' ' ' ALA . 6.0 ttpm? -58.6 -42.33 87.85 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 119.854 -0.738 . . . . 0.0 111.259 -179.413 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.482 ' O ' ' O ' ' B' ' 19' ' ' SER . 77.3 mm-40 -129.97 150.04 51.42 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 120.818 -0.353 . . . . 0.0 111.749 179.16 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.98 -151.73 25.61 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.892 -0.483 . . . . 0.0 111.892 178.086 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' ASP . . . . . 0.486 ' O ' ' OG ' ' B' ' 19' ' ' SER . 89.2 m-20 -72.63 140.51 48.02 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.155 0.502 . . . . 0.0 110.514 179.425 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.451 ' C ' ' OG ' ' B' ' 19' ' ' SER . 47.9 mttm -61.31 -32.73 72.59 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.853 -178.789 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.615 ' OH ' ' CG ' ' A' ' 90' ' ' TRP . 98.6 m-85 -103.05 15.98 27.91 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.016 -0.993 . . . . 0.0 113.247 -175.511 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.416 ' CG ' ' OE2' ' B' ' 68' ' ' GLU . 41.7 tptt -142.94 141.87 31.56 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 119.133 -1.027 . . . . 0.0 108.874 179.146 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 12.7 tp -116.19 132.09 56.76 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 120.641 -0.424 . . . . 0.0 111.13 -176.41 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 25.9 t -101.81 160.53 14.4 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 -179.68 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 22.1 ttpt -52.37 -45.94 65.99 Favored 'General case' 0 CA--C 1.51 -0.594 0 C-N-CA 120.476 -0.49 . . . . 0.0 111.111 -178.318 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.436 ' HG3' ' N ' ' B' ' 32' ' ' GLU . 1.4 ptpm? -61.38 -40.86 95.9 Favored 'General case' 0 N--CA 1.437 -1.09 0 C-N-CA 119.668 -0.813 . . . . 0.0 109.967 -178.395 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.443 ' OE2' ' C ' ' B' ' 22' ' ' GLU . 94.4 mt-10 -70.61 -53.33 16.34 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 119.99 -0.684 . . . . 0.0 112.417 -178.877 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 2.6 pp -59.33 -36.8 76.32 Favored 'General case' 0 CA--C 1.501 -0.923 0 C-N-CA 119.553 -0.859 . . . . 0.0 110.814 -178.752 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 14.7 tptp -56.35 -37.07 69.52 Favored 'General case' 0 N--CA 1.433 -1.297 0 C-N-CA 118.085 -1.446 . . . . 0.0 108.306 178.703 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.891 ' O ' HG23 ' B' ' 39' ' ' THR . 97.3 mt-10 -75.05 -40.1 60.55 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 179.269 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.742 ' O ' HD23 ' B' ' 36' ' ' LEU . 4.2 tt -64.97 -45.13 86.95 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 119.805 -0.758 . . . . 0.0 110.961 -177.594 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.565 ' O ' ' O ' ' B' ' 41' ' ' LEU . 1.7 mm? -64.54 -43.58 93.55 Favored 'General case' 0 C--N 1.343 0.287 0 C-N-CA 118.937 -1.105 . . . . 0.0 111.13 179.642 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -62.78 -38.53 90.98 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 120.212 -0.595 . . . . 0.0 111.16 179.394 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.891 HG23 ' O ' ' B' ' 35' ' ' GLU . 63.6 p -71.16 -33.26 69.86 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.53 -0.468 . . . . 0.0 111.33 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -102.21 -60.63 1.51 Allowed 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 -179.299 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.565 ' O ' ' O ' ' B' ' 37' ' ' LEU . 51.9 mt -98.63 141.29 31.64 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.306 0.574 . . . . 0.0 111.805 -178.827 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 4.3 t -114.38 -57.92 2.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.457 179.501 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.55 -39.74 93.59 Favored Glycine 0 CA--C 1.531 1.052 0 CA-C-N 116.044 -0.526 . . . . 0.0 113.969 -178.194 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -62.78 -53.02 60.67 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 117.935 0.868 . . . . 0.0 112.564 -178.151 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -73.42 -39.39 65.05 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 120.368 -0.533 . . . . 0.0 111.695 178.642 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -60.7 -30.35 69.9 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.485 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.27 -29.7 61.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.072 -0.513 . . . . 0.0 112.0 -177.319 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 89.7 mm-40 -91.9 118.65 30.93 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 119.43 -0.908 . . . . 0.0 109.974 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 64.5 tttt -62.97 -39.41 94.62 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 113.918 1.081 . . . . 0.0 113.918 -178.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -69.7 142.5 53.33 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 -177.257 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 4.4 m -73.41 -27.28 23.4 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.127 178.344 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -76.3 -1.82 28.54 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.106 -0.952 . . . . 0.0 109.411 179.289 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.549 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -56.38 -37.31 69.92 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.97 -179.277 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.603 HG13 ' N ' ' B' ' 55' ' ' ASP . 7.2 p -60.0 -43.92 93.57 Favored 'Isoleucine or valine' 0 C--O 1.241 0.612 0 C-N-CA 120.005 -0.678 . . . . 0.0 110.007 178.719 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.603 ' N ' HG13 ' B' ' 54' ' ' VAL . 93.9 m-20 -61.02 -41.0 95.71 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.185 178.582 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -62.13 -37.9 86.92 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.884 178.43 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.549 HG23 ' O ' ' B' ' 53' ' ' ALA . 76.3 t -65.72 -45.98 90.39 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.1 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 -178.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.541 ' CE ' ' O ' ' B' ' 67' ' ' GLY . 1.9 ptp -66.65 -34.88 78.84 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 119.271 -0.972 . . . . 0.0 113.21 -178.026 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 36.0 mmtt -58.93 -41.47 87.43 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 119.306 -0.958 . . . . 0.0 112.141 -178.078 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -66.22 -41.69 89.72 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.012 -0.675 . . . . 0.0 110.923 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 74.8 mt -69.05 -33.82 74.19 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.089 -0.959 . . . . 0.0 112.716 -179.212 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.648 ' OD2' ' N ' ' B' ' 66' ' ' ASP . 50.7 t0 -79.58 101.35 8.25 Favored 'General case' 0 C--N 1.316 -0.862 0 C-N-CA 119.767 -0.773 . . . . 0.0 112.961 -175.733 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -66.73 -46.22 76.16 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-O 122.669 1.223 . . . . 0.0 111.224 176.016 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -58.3 -33.63 69.67 Favored 'General case' 0 C--N 1.3 -1.564 0 CA-C-N 112.322 -2.217 . . . . 0.0 112.814 -177.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 84.88 16.46 65.38 Favored Glycine 0 CA--C 1.527 0.818 0 N-CA-C 108.734 -1.746 . . . . 0.0 108.734 -177.188 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.648 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 47.1 p30 -85.08 4.46 34.0 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 114.595 -0.803 . . . . 0.0 112.062 -179.083 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.624 ' N ' ' OD2' ' B' ' 62' ' ' ASP . . . 62.53 -4.2 0.71 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.677 -0.969 . . . . 0.0 110.677 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.543 ' H ' ' C ' ' B' ' 66' ' ' ASP . 82.7 tt0 -110.43 143.54 40.58 Favored 'General case' 0 C--O 1.243 0.716 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 -179.665 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 61.2 t -100.13 135.2 36.94 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.677 0 CA-C-N 116.185 -0.461 . . . . 0.0 112.058 -176.019 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.548 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 51.9 t0 -99.14 159.27 15.1 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-O 121.187 0.518 . . . . 0.0 111.293 -179.314 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.548 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 1.0 OUTLIER -50.85 -44.37 59.43 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.726 -178.834 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.432 ' HG2' HG21 ' A' ' 83' ' ' VAL . 94.2 mt-30 -61.6 -40.62 95.45 Favored 'General case' 0 C--O 1.245 0.817 0 C-N-CA 119.764 -0.774 . . . . 0.0 110.68 179.091 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.457 ' O ' HG22 ' B' ' 76' ' ' VAL . 92.3 mt-10 -64.82 -42.15 95.21 Favored 'General case' 0 C--O 1.243 0.711 0 CA-C-O 122.172 0.986 . . . . 0.0 109.998 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 74' ' ' TYR . . . . . 0.403 ' OH ' ' CD1' ' A' ' 4' ' ' LEU . 60.9 t80 -63.12 -41.02 99.25 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-N 114.78 -1.1 . . . . 0.0 109.868 178.317 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.618 HG13 ' HB1' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -60.04 -48.2 88.84 Favored 'Isoleucine or valine' 0 C--O 1.248 1.003 0 CA-C-N 113.584 -1.644 . . . . 0.0 110.063 -179.079 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.457 HG22 ' O ' ' B' ' 73' ' ' GLU . 15.3 m -67.14 -35.18 73.62 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.503 0 C-N-CA 117.789 -1.564 . . . . 0.0 109.435 178.717 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.574 ' O ' HD13 ' B' ' 81' ' ' LEU . 32.7 tp -56.33 -51.98 66.25 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 118.744 -1.182 . . . . 0.0 111.823 178.276 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 34.4 m -68.73 -36.17 73.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 118.357 -1.337 . . . . 0.0 111.932 -178.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.711 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . . . -68.73 -48.9 62.63 Favored 'General case' 0 C--O 1.25 1.126 0 C-N-CA 118.922 -1.111 . . . . 0.0 112.041 -179.43 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.8 -40.39 97.19 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.574 HD13 ' O ' ' B' ' 77' ' ' LEU . 10.5 mp -65.36 -34.02 77.34 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 119.146 -1.022 . . . . 0.0 109.853 176.718 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 44.3 m -62.69 -50.06 72.65 Favored 'General case' 0 C--O 1.246 0.895 0 C-N-CA 119.638 -0.825 . . . . 0.0 111.21 179.488 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.423 HG21 ' HG2' ' A' ' 72' ' ' GLN . 14.0 p -63.61 -39.41 85.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 118.972 -1.091 . . . . 0.0 110.612 178.857 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.43 ' O ' ' CD2' ' B' ' 88' ' ' PHE . . . -64.76 -33.79 76.81 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 121.075 0.464 . . . . 0.0 109.78 178.866 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 47.6 t -63.39 -54.23 39.99 Favored 'General case' 0 CA--C 1.507 -0.679 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.208 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -55.8 -40.48 72.79 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 118.451 -1.3 . . . . 0.0 108.631 178.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 87' ' ' ASN . . . . . 0.674 ' O ' ' HB2' ' B' ' 91' ' ' GLU . 41.2 m-20 -59.89 -41.97 92.78 Favored 'General case' 0 C--O 1.202 -1.43 0 C-N-CA 120.166 -0.614 . . . . 0.0 110.586 178.544 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.531 ' O ' ' O ' ' B' ' 91' ' ' GLU . 76.4 m-85 -66.75 -35.37 79.94 Favored 'General case' 0 C--N 1.309 -1.163 0 C-N-CA 117.199 -1.801 . . . . 0.0 110.745 178.673 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -64.7 -61.61 2.09 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 119.693 -0.803 . . . . 0.0 111.846 -178.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 90' ' ' TRP . . . . . 0.603 ' CG ' ' OH ' ' A' ' 26' ' ' TYR . 17.8 t-105 -69.34 -43.6 73.34 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.735 0.778 . . . . 0.0 111.462 178.759 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 91' ' ' GLU . . . . . 0.674 ' HB2' ' O ' ' B' ' 87' ' ' ASN . 96.2 mt-10 . . . . . 0 C--N 1.32 -0.694 0 CA-C-N 114.326 -1.306 . . . . 0.0 111.472 -178.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 . . . . . 0 C--O 1.236 0.376 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.485 ' O ' HD23 ' A' ' 4' ' ' LEU . 5.9 tt -62.31 -41.98 98.99 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 117.85 -1.54 . . . . 0.0 107.671 -179.607 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.609 ' OE2' HD22 ' B' ' 41' ' ' LEU . 72.6 mm-40 -66.27 -36.47 83.07 Favored 'General case' 0 C--O 1.219 -0.506 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.797 177.601 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.0 m -58.55 -41.27 85.21 Favored 'General case' 0 C--O 1.237 0.433 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 179.087 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.75 -46.42 82.25 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.464 179.061 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 99.4 mtp -58.87 -40.89 85.69 Favored 'General case' 0 C--O 1.247 0.926 0 CA-C-O 121.63 0.729 . . . . 0.0 109.709 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.44 -36.02 82.66 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.168 177.713 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 52.7 m -63.68 -42.61 98.0 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 119.359 -0.936 . . . . 0.0 109.712 179.113 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 43.2 mt -61.03 -43.27 99.13 Favored 'General case' 0 C--O 1.241 0.61 0 C-N-CA 119.347 -0.941 . . . . 0.0 108.753 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.5 mt -61.51 -45.71 98.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.21 178.722 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -62.22 -41.63 98.56 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -178.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.9 m -73.57 -41.28 55.78 Favored 'Isoleucine or valine' 0 C--O 1.253 1.282 0 C-N-CA 119.169 -1.012 . . . . 0.0 111.383 -179.29 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -60.47 -47.94 83.95 Favored 'General case' 0 CA--C 1.509 -0.603 0 C-N-CA 119.2 -1.0 . . . . 0.0 110.027 177.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -65.21 -34.63 78.82 Favored 'General case' 0 CA--C 1.502 -0.871 0 CA-C-N 115.547 -0.752 . . . . 0.0 110.524 178.264 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.54 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . -58.28 -52.35 65.95 Favored 'General case' 0 N--CA 1.437 -1.117 0 C-N-CA 118.763 -1.175 . . . . 0.0 110.031 -178.6 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.627 ' HA ' ' HZ1' ' A' ' 21' ' ' LYS . 17.4 m-70 -78.89 -48.12 15.22 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 118.846 -1.142 . . . . 0.0 113.815 -179.682 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.3 t -59.0 -44.01 91.58 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 119.278 -0.969 . . . . 0.0 110.468 -179.306 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -73.28 -44.56 34.22 Favored Glycine 0 CA--C 1.525 0.685 0 C-N-CA 120.744 -0.741 . . . . 0.0 111.697 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.627 ' HZ1' ' HA ' ' A' ' 18' ' ' HIS . 7.5 ttpm? -59.42 -39.64 84.12 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 -179.178 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.477 ' C ' ' OE2' ' A' ' 32' ' ' GLU . 96.6 mt-10 -119.75 146.32 45.76 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 -178.404 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 51.66 -140.35 25.59 Favored Glycine 0 C--N 1.334 0.441 0 CA-C-N 114.769 -1.105 . . . . 0.0 112.582 177.355 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -70.52 146.69 50.03 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 114.952 -0.624 . . . . 0.0 110.094 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.8 mtmm -86.35 150.55 24.24 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.484 ' OH ' ' CE3' ' B' ' 90' ' ' TRP . 89.0 m-85 61.06 13.46 4.67 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.5 tptt -138.01 132.33 32.06 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 106.183 -1.784 . . . . 0.0 106.183 175.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.8 tp -110.99 128.27 55.79 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 120.069 -0.653 . . . . 0.0 110.677 -176.719 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 78.8 p -99.81 164.87 11.84 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.0 ttpt -55.41 -47.85 75.28 Favored 'General case' 0 C--O 1.241 0.657 0 C-N-CA 120.273 -0.571 . . . . 0.0 112.065 -177.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.443 ' HG3' ' N ' ' A' ' 32' ' ' GLU . 14.6 ptpt -61.87 -41.4 97.81 Favored 'General case' 0 N--CA 1.442 -0.871 0 C-N-CA 119.61 -0.836 . . . . 0.0 110.191 -178.034 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.477 ' OE2' ' C ' ' A' ' 22' ' ' GLU . 97.4 mt-10 -67.43 -46.63 72.56 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 120.124 -0.631 . . . . 0.0 112.175 -179.32 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.38 -33.65 75.15 Favored 'General case' 0 CA--C 1.5 -0.946 0 C-N-CA 118.338 -1.345 . . . . 0.0 109.046 179.554 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.528 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 0.4 OUTLIER -54.17 -37.39 64.41 Favored 'General case' 0 N--CA 1.437 -1.122 0 C-N-CA 117.938 -1.505 . . . . 0.0 108.029 178.029 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.672 ' O ' HG23 ' A' ' 39' ' ' THR . 77.5 mm-40 -75.52 -42.93 51.36 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 112.921 0.711 . . . . 0.0 112.921 179.421 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.693 ' O ' HD23 ' A' ' 36' ' ' LEU . 1.0 OUTLIER -65.27 -45.97 82.37 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 120.338 -0.545 . . . . 0.0 111.44 -177.326 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.576 ' N ' ' CD2' ' A' ' 37' ' ' LEU . 0.8 OUTLIER -64.25 -42.62 96.42 Favored 'General case' 0 CA--C 1.52 -0.184 0 C-N-CA 119.116 -1.033 . . . . 0.0 111.191 -179.747 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.528 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 27.4 mt-30 -65.0 -39.54 93.6 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.317 -0.553 . . . . 0.0 112.069 179.504 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.672 HG23 ' O ' ' A' ' 35' ' ' GLU . 82.6 p -70.29 -40.03 74.52 Favored 'General case' 0 CA--C 1.523 -0.064 0 C-N-CA 119.676 -0.81 . . . . 0.0 111.707 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -89.65 -47.48 7.92 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.397 -0.521 . . . . 0.0 111.287 179.186 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.6 HD22 ' OE2' ' B' ' 5' ' ' GLU . 29.4 mt -107.8 141.98 38.53 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 121.144 0.497 . . . . 0.0 111.433 -179.436 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.4 m -112.5 -68.55 0.92 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.384 178.59 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.87 -37.41 90.66 Favored Glycine 0 CA--C 1.533 1.172 0 CA-C-N 115.506 -0.77 . . . . 0.0 114.263 -178.616 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -59.79 -53.74 54.44 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 118.203 1.001 . . . . 0.0 112.565 -177.672 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -75.6 -38.8 58.75 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 120.343 -0.543 . . . . 0.0 111.216 178.393 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -60.58 -28.85 68.8 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.404 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.2 -28.6 54.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.147 -0.479 . . . . 0.0 112.095 -177.212 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 90.4 mm-40 -88.82 120.59 30.37 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 119.341 -0.944 . . . . 0.0 109.842 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -63.04 -36.06 82.31 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 113.75 1.018 . . . . 0.0 113.75 -179.059 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -70.01 142.01 52.83 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -177.714 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.4 m -74.13 -27.95 22.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.526 178.624 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -82.38 3.23 28.75 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 115.322 -0.853 . . . . 0.0 109.621 179.55 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.444 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -57.09 -38.03 72.76 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.27 -179.356 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.596 HG13 ' N ' ' A' ' 55' ' ' ASP . 8.7 p -60.53 -42.85 92.96 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 C-N-CA 119.807 -0.757 . . . . 0.0 109.951 178.745 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.596 ' N ' HG13 ' A' ' 54' ' ' VAL . 56.2 t0 -61.42 -42.28 98.49 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 179.131 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 44.4 mttm -61.97 -39.6 92.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.747 179.129 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 53' ' ' ALA . 79.6 t -65.92 -45.7 90.41 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.119 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -179.298 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.6 ppp? -65.96 -33.96 77.0 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 -177.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 29.2 mmtm -60.05 -39.75 87.03 Favored 'General case' 0 CA--C 1.52 -0.19 0 C-N-CA 119.022 -1.071 . . . . 0.0 110.33 179.706 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -64.14 -39.58 94.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.176 0.512 . . . . 0.0 110.665 178.793 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.435 ' O ' ' OE1' ' A' ' 73' ' ' GLU . 75.8 mt -68.09 -35.39 78.09 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-N 115.466 -0.788 . . . . 0.0 112.313 -179.26 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.463 ' CG ' ' H ' ' A' ' 65' ' ' GLY . 44.5 t0 -71.48 73.15 0.73 Allowed 'General case' 0 N--CA 1.446 -0.668 0 C-N-CA 118.521 -1.271 . . . . 0.0 110.487 -178.352 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -63.66 -38.09 89.82 Favored 'General case' 0 CA--C 1.498 -1.041 0 N-CA-C 106.959 -1.497 . . . . 0.0 106.959 176.164 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.482 ' OD1' ' OD2' ' A' ' 66' ' ' ASP . 17.4 t-20 -58.12 -39.7 79.35 Favored 'General case' 0 N--CA 1.43 -1.47 0 CA-C-N 111.617 -2.538 . . . . 0.0 111.34 178.553 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.463 ' H ' ' CG ' ' A' ' 62' ' ' ASP . . . 79.79 19.66 70.07 Favored Glycine 0 CA--C 1.53 0.97 0 C-N-CA 121.469 -0.396 . . . . 0.0 112.803 178.143 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.491 ' O ' ' OE1' ' A' ' 68' ' ' GLU . 54.0 p30 -89.37 2.37 54.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 117.539 0.67 . . . . 0.0 112.649 -179.654 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 88.32 -5.11 85.14 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.38 -1.088 . . . . 0.0 110.38 179.071 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.491 ' OE1' ' O ' ' A' ' 66' ' ' ASP . 53.7 mp0 -121.21 160.42 23.87 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.005 -0.597 . . . . 0.0 110.629 179.335 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.41 ' HA ' ' OE1' ' A' ' 73' ' ' GLU . 38.5 t -104.68 129.57 56.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 105.625 -1.991 . . . . 0.0 105.625 176.326 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.511 ' C ' ' OD1' ' A' ' 70' ' ' ASP . 16.8 p30 -100.62 170.93 8.03 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 119.307 -0.957 . . . . 0.0 110.547 -177.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -53.55 -44.84 69.59 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.934 -178.48 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -61.77 -40.29 94.65 Favored 'General case' 0 C--O 1.242 0.707 0 C-N-CA 120.165 -0.614 . . . . 0.0 111.706 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.474 ' O ' HG22 ' A' ' 76' ' ' VAL . 77.5 mt-10 -64.57 -42.84 95.39 Favored 'General case' 0 C--O 1.242 0.69 0 CA-C-O 122.291 1.043 . . . . 0.0 109.689 179.741 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 69.5 t80 -63.25 -41.24 99.04 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-N 114.448 -1.251 . . . . 0.0 110.173 178.617 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.617 HG13 ' HB1' ' B' ' 79' ' ' ALA . 0.5 OUTLIER -59.91 -47.63 90.86 Favored 'Isoleucine or valine' 0 C--O 1.247 0.958 0 CA-C-N 113.75 -1.568 . . . . 0.0 110.054 -179.018 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.474 HG22 ' O ' ' A' ' 73' ' ' GLU . 16.4 m -67.45 -35.1 72.42 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 C-N-CA 117.875 -1.53 . . . . 0.0 109.323 178.769 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.579 ' O ' HD13 ' A' ' 81' ' ' LEU . 30.6 tp -56.92 -50.39 72.72 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 118.741 -1.184 . . . . 0.0 111.857 178.245 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 35.6 m -68.98 -35.93 71.5 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 C-N-CA 118.606 -1.238 . . . . 0.0 111.676 -179.263 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.726 ' HB2' ' HB2' ' B' ' 79' ' ' ALA . . . -68.42 -48.59 64.24 Favored 'General case' 0 C--O 1.248 0.998 0 C-N-CA 119.081 -1.047 . . . . 0.0 111.805 -179.494 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.24 -39.57 94.99 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.579 HD13 ' O ' ' A' ' 77' ' ' LEU . 9.2 mp -65.08 -34.47 78.5 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 119.376 -0.93 . . . . 0.0 109.733 176.694 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 37.1 m -63.43 -50.21 70.68 Favored 'General case' 0 C--O 1.247 0.948 0 C-N-CA 119.823 -0.751 . . . . 0.0 111.441 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.9 p -63.3 -38.81 83.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 C-N-CA 119.144 -1.022 . . . . 0.0 110.582 178.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.42 ' O ' ' CD2' ' A' ' 88' ' ' PHE . . . -65.27 -35.36 80.79 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 120.326 -0.549 . . . . 0.0 109.926 178.746 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 9.1 t -61.71 -54.99 35.16 Favored 'General case' 0 CA--C 1.507 -0.677 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.259 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 33.8 t30 -56.87 -39.0 73.53 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 118.797 -1.161 . . . . 0.0 108.972 178.725 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 34.8 t30 -57.77 -41.65 82.45 Favored 'General case' 0 C--O 1.219 -0.512 0 C-N-CA 120.127 -0.629 . . . . 0.0 110.43 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.42 ' CD2' ' O ' ' A' ' 84' ' ' ALA . 70.5 m-85 -67.99 -41.0 82.96 Favored 'General case' 0 C--O 1.226 -0.134 0 C-N-CA 119.546 -0.861 . . . . 0.0 110.867 178.819 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -58.78 -45.41 89.9 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.282 -0.567 . . . . 0.0 111.477 -179.086 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.547 ' CD1' ' C ' ' A' ' 90' ' ' TRP . 16.1 t-105 -85.65 -58.51 2.63 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 -179.491 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.453 ' OE1' ' C ' ' A' ' 91' ' ' GLU . 7.6 tm-20 . . . . . 0 C--N 1.321 -0.659 0 N-CA-C 113.407 0.892 . . . . 0.0 113.407 -176.744 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 . . . . . 0 C--O 1.234 0.285 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.489 ' O ' HD23 ' B' ' 4' ' ' LEU . 5.9 tt -62.32 -42.05 99.05 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 117.913 -1.515 . . . . 0.0 107.642 -179.62 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 5' ' ' GLU . . . . . 0.6 ' OE2' HD22 ' A' ' 41' ' ' LEU . 72.7 mm-40 -66.24 -36.56 83.32 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.825 177.565 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 43.6 m -58.5 -41.09 84.56 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 179.006 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.04 -46.3 81.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.416 179.099 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 99.3 mtp -58.91 -40.87 85.8 Favored 'General case' 0 C--O 1.246 0.897 0 CA-C-O 121.635 0.731 . . . . 0.0 109.824 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.36 -36.84 85.24 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.04 177.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 48.7 m -62.75 -42.9 99.89 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 119.375 -0.93 . . . . 0.0 109.901 178.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 49.1 mt -61.14 -43.05 99.49 Favored 'General case' 0 C--O 1.241 0.64 0 C-N-CA 119.283 -0.967 . . . . 0.0 108.797 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.4 mt -61.58 -45.5 98.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.344 178.639 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -62.36 -41.58 98.72 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -178.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 14.6 m -73.53 -41.29 56.06 Favored 'Isoleucine or valine' 0 C--O 1.253 1.246 0 C-N-CA 119.26 -0.976 . . . . 0.0 111.411 -179.364 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -60.55 -48.0 83.72 Favored 'General case' 0 CA--C 1.509 -0.618 0 C-N-CA 119.156 -1.018 . . . . 0.0 109.984 177.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -65.15 -34.63 78.85 Favored 'General case' 0 CA--C 1.503 -0.859 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.436 178.292 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.545 ' O ' ' CB ' ' B' ' 21' ' ' LYS . . . -58.3 -52.38 65.82 Favored 'General case' 0 N--CA 1.436 -1.147 0 C-N-CA 118.76 -1.176 . . . . 0.0 110.078 -178.62 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.607 ' HA ' ' HZ3' ' B' ' 21' ' ' LYS . 17.3 m-70 -78.82 -48.13 15.35 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 118.855 -1.138 . . . . 0.0 113.896 -179.728 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 41.8 t -59.1 -43.89 91.9 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 119.248 -0.981 . . . . 0.0 110.53 -179.367 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -73.31 -44.62 33.77 Favored Glycine 0 CA--C 1.526 0.735 0 C-N-CA 120.831 -0.699 . . . . 0.0 111.647 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' LYS . . . . . 0.607 ' HZ3' ' HA ' ' B' ' 18' ' ' HIS . 7.5 ttpm? -59.41 -39.62 84.01 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 -179.178 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.48 ' C ' ' OE2' ' B' ' 32' ' ' GLU . 96.7 mt-10 -119.75 146.36 45.72 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 -178.426 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 51.63 -140.23 25.71 Favored Glycine 0 CA--C 1.521 0.45 0 CA-C-N 114.891 -1.05 . . . . 0.0 112.693 177.424 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -70.69 146.7 49.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 114.956 -0.622 . . . . 0.0 110.046 179.602 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 26.8 mtmm -86.26 150.45 24.35 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.521 ' OH ' ' CE3' ' A' ' 90' ' ' TRP . 89.1 m-85 61.18 13.37 4.73 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.2 tptt -138.0 132.49 32.33 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 106.153 -1.795 . . . . 0.0 106.153 175.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 15.8 tp -111.14 128.17 55.81 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 120.077 -0.649 . . . . 0.0 110.714 -176.781 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 78.7 p -99.75 164.9 11.84 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 17.0 ttpt -55.46 -47.9 75.36 Favored 'General case' 0 C--O 1.242 0.695 0 C-N-CA 120.203 -0.599 . . . . 0.0 112.071 -177.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.439 ' HG3' ' N ' ' B' ' 32' ' ' GLU . 14.6 ptpt -61.69 -41.48 97.64 Favored 'General case' 0 N--CA 1.442 -0.85 0 C-N-CA 119.671 -0.812 . . . . 0.0 110.266 -178.104 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.48 ' OE2' ' C ' ' B' ' 22' ' ' GLU . 97.3 mt-10 -67.39 -46.64 72.66 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 120.228 -0.589 . . . . 0.0 112.204 -179.335 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.39 -33.58 75.03 Favored 'General case' 0 CA--C 1.5 -0.956 0 C-N-CA 118.346 -1.342 . . . . 0.0 109.121 179.498 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.535 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 0.4 OUTLIER -54.33 -37.39 64.81 Favored 'General case' 0 N--CA 1.437 -1.088 0 C-N-CA 117.897 -1.521 . . . . 0.0 107.944 178.08 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.683 ' O ' HG23 ' B' ' 39' ' ' THR . 77.4 mm-40 -75.56 -42.83 51.24 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 179.424 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.695 ' O ' HD23 ' B' ' 36' ' ' LEU . 1.1 tt -65.21 -45.95 82.65 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 120.37 -0.532 . . . . 0.0 111.539 -177.413 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.581 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 0.8 OUTLIER -64.3 -42.59 96.28 Favored 'General case' 0 CA--C 1.521 -0.142 0 C-N-CA 119.098 -1.041 . . . . 0.0 111.211 -179.798 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.535 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 27.4 mt-30 -64.96 -39.56 93.68 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.3 -0.56 . . . . 0.0 112.072 179.416 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.683 HG23 ' O ' ' B' ' 35' ' ' GLU . 82.8 p -70.27 -40.08 74.57 Favored 'General case' 0 C--N 1.334 -0.096 0 C-N-CA 119.65 -0.82 . . . . 0.0 111.685 -179.748 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -89.6 -47.51 7.91 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.365 -0.534 . . . . 0.0 111.278 179.2 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.609 HD22 ' OE2' ' A' ' 5' ' ' GLU . 29.4 mt -107.83 142.05 38.47 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 121.191 0.52 . . . . 0.0 111.458 -179.436 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 3.4 m -112.51 -68.67 0.91 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.395 178.68 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.81 -37.46 90.4 Favored Glycine 0 CA--C 1.533 1.188 0 CA-C-N 115.448 -0.796 . . . . 0.0 114.243 -178.665 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -59.75 -53.79 53.9 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 118.194 0.997 . . . . 0.0 112.523 -177.647 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -75.67 -38.7 58.52 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 120.279 -0.568 . . . . 0.0 111.201 178.47 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -60.52 -28.84 68.71 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.506 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.26 -28.63 54.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 0.0 112.096 -177.207 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 90.4 mm-40 -88.72 120.56 30.23 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 119.369 -0.933 . . . . 0.0 109.793 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -63.0 -36.15 82.58 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -179.093 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -70.03 142.07 52.79 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -177.642 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 4.3 m -74.21 -27.93 22.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.536 178.696 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -82.35 3.22 28.7 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.673 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.438 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -57.01 -38.14 72.68 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.257 -179.391 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.59 HG13 ' N ' ' B' ' 55' ' ' ASP . 8.8 p -60.5 -42.83 92.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 C-N-CA 119.796 -0.761 . . . . 0.0 109.949 178.803 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.59 ' N ' HG13 ' B' ' 54' ' ' VAL . 56.1 t0 -61.46 -42.24 98.47 Favored 'General case' 0 N--CA 1.447 -0.575 0 C-N-CA 120.1 -0.64 . . . . 0.0 109.32 179.105 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 44.4 mttm -62.0 -39.54 92.57 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.814 179.104 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.438 HG23 ' O ' ' B' ' 53' ' ' ALA . 79.7 t -65.88 -45.77 90.35 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.072 0 N-CA-C 112.338 0.495 . . . . 0.0 112.338 -179.351 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 2.6 ppp? -65.9 -34.03 77.19 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 -177.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 29.3 mmtm -59.93 -39.84 86.84 Favored 'General case' 0 CA--C 1.52 -0.19 0 C-N-CA 119.09 -1.044 . . . . 0.0 110.373 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -64.11 -39.66 94.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.151 0.501 . . . . 0.0 110.599 178.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.439 ' O ' ' OE1' ' B' ' 73' ' ' GLU . 76.1 mt -68.08 -35.27 77.9 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-N 115.466 -0.788 . . . . 0.0 112.397 -179.206 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.469 ' CG ' ' H ' ' B' ' 65' ' ' GLY . 44.6 t0 -71.62 73.28 0.78 Allowed 'General case' 0 N--CA 1.447 -0.622 0 C-N-CA 118.346 -1.342 . . . . 0.0 110.479 -178.387 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 63' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' B' ' 61' ' ' LEU . 87.5 tt0 -63.59 -38.15 90.02 Favored 'General case' 0 CA--C 1.497 -1.086 0 N-CA-C 107.016 -1.476 . . . . 0.0 107.016 176.118 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.477 ' OD1' ' OD2' ' B' ' 66' ' ' ASP . 17.5 t-20 -58.22 -39.63 79.56 Favored 'General case' 0 N--CA 1.43 -1.47 0 CA-C-N 111.531 -2.577 . . . . 0.0 111.284 178.661 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.469 ' H ' ' CG ' ' B' ' 62' ' ' ASP . . . 79.82 19.59 70.13 Favored Glycine 0 CA--C 1.531 1.041 0 C-N-CA 121.4 -0.429 . . . . 0.0 112.825 178.088 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.493 ' O ' ' OE1' ' B' ' 68' ' ' GLU . 54.0 p30 -89.34 2.37 54.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 117.467 0.633 . . . . 0.0 112.679 -179.643 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 88.3 -5.02 85.26 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.369 -1.092 . . . . 0.0 110.369 179.092 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.493 ' OE1' ' O ' ' B' ' 66' ' ' ASP . 53.8 mp0 -121.34 160.32 24.26 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.029 -0.585 . . . . 0.0 110.632 179.368 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.401 ' HA ' ' OE1' ' B' ' 73' ' ' GLU . 38.7 t -104.59 129.65 56.73 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.609 0 N-CA-C 105.8 -1.926 . . . . 0.0 105.8 176.276 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.513 ' OD1' ' C ' ' B' ' 70' ' ' ASP . 17.8 p30 -100.51 170.91 8.06 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 119.336 -0.946 . . . . 0.0 110.565 -177.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -53.57 -44.88 69.68 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.927 -178.541 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -61.71 -40.25 94.36 Favored 'General case' 0 C--O 1.243 0.727 0 C-N-CA 120.063 -0.655 . . . . 0.0 111.836 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.465 ' O ' HG22 ' B' ' 76' ' ' VAL . 77.5 mt-10 -64.55 -42.8 95.47 Favored 'General case' 0 C--O 1.243 0.734 0 CA-C-O 122.358 1.075 . . . . 0.0 109.701 179.66 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 69.8 t80 -63.44 -41.08 98.66 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-N 114.476 -1.238 . . . . 0.0 110.155 178.69 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.611 HG13 ' HB1' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -60.04 -47.54 91.41 Favored 'Isoleucine or valine' 0 C--O 1.247 0.956 0 CA-C-N 113.797 -1.547 . . . . 0.0 110.031 -179.012 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.465 HG22 ' O ' ' B' ' 73' ' ' GLU . 16.3 m -67.48 -35.07 72.18 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.56 0 C-N-CA 117.929 -1.509 . . . . 0.0 109.348 178.699 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.578 ' O ' HD13 ' B' ' 81' ' ' LEU . 30.8 tp -56.95 -50.44 72.61 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 118.872 -1.131 . . . . 0.0 111.754 178.215 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 35.8 m -69.05 -35.91 71.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 118.558 -1.257 . . . . 0.0 111.665 -179.226 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.726 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . . . -68.38 -48.48 64.6 Favored 'General case' 0 C--O 1.248 0.981 0 C-N-CA 119.043 -1.063 . . . . 0.0 111.918 -179.603 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.21 -39.66 95.28 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 179.573 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.578 HD13 ' O ' ' B' ' 77' ' ' LEU . 9.2 mp -64.92 -34.63 78.86 Favored 'General case' 0 N--CA 1.447 -0.59 0 C-N-CA 119.321 -0.951 . . . . 0.0 109.839 176.605 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 37.5 m -63.33 -50.28 70.65 Favored 'General case' 0 C--O 1.246 0.877 0 C-N-CA 119.828 -0.749 . . . . 0.0 111.374 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 13.8 p -63.26 -38.77 83.0 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 C-N-CA 119.118 -1.033 . . . . 0.0 110.63 178.793 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.41 ' O ' ' CD2' ' B' ' 88' ' ' PHE . . . -65.34 -35.24 80.39 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 120.348 -0.541 . . . . 0.0 109.863 178.734 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 9.2 t -61.77 -54.91 36.0 Favored 'General case' 0 CA--C 1.507 -0.696 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.357 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 33.6 t30 -56.91 -39.0 73.63 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 118.724 -1.19 . . . . 0.0 108.989 178.608 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 34.8 t30 -57.82 -41.54 82.47 Favored 'General case' 0 C--O 1.22 -0.455 0 C-N-CA 120.03 -0.668 . . . . 0.0 110.443 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.41 ' CD2' ' O ' ' B' ' 84' ' ' ALA . 70.7 m-85 -68.04 -41.04 82.7 Favored 'General case' 0 C--N 1.333 -0.122 0 C-N-CA 119.639 -0.824 . . . . 0.0 110.834 178.809 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -58.78 -45.28 90.2 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.245 -0.582 . . . . 0.0 111.582 -179.092 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 90' ' ' TRP . . . . . 0.55 ' C ' ' CD1' ' B' ' 90' ' ' TRP . 16.0 t-105 -85.8 -58.34 2.69 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 -179.559 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 91' ' ' GLU . . . . . 0.447 ' C ' ' OE1' ' B' ' 91' ' ' GLU . 7.6 tm-20 . . . . . 0 C--N 1.321 -0.658 0 N-CA-C 113.481 0.919 . . . . 0.0 113.481 -176.778 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 . . . . . 0 C--O 1.236 0.352 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.711 ' O ' HD23 ' A' ' 4' ' ' LEU . 5.0 tt -63.77 -41.98 97.88 Favored 'General case' 0 C--O 1.242 0.682 0 C-N-CA 119.251 -0.98 . . . . 0.0 109.028 -178.849 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.456 ' OE1' ' C ' ' A' ' 5' ' ' GLU . 8.6 tm-20 -63.72 -39.2 93.7 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 114.772 -1.104 . . . . 0.0 109.06 179.275 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.6 m -60.2 -40.29 89.55 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.126 178.585 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.31 -44.15 95.79 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.137 179.451 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 98.7 mtp -59.22 -41.07 87.78 Favored 'General case' 0 C--O 1.249 1.054 0 CA-C-O 121.857 0.837 . . . . 0.0 109.445 178.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -64.99 -35.71 82.06 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.084 178.247 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 51.0 m -64.47 -43.47 94.08 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 119.731 -0.788 . . . . 0.0 110.224 179.553 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 38.1 mt -61.69 -42.74 99.34 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 119.232 -0.987 . . . . 0.0 108.803 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.4 mt -62.12 -45.68 98.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 C-N-CA 119.775 -0.77 . . . . 0.0 111.586 178.688 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -61.83 -41.57 97.96 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -178.827 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.4 m -73.94 -41.13 53.18 Favored 'Isoleucine or valine' 0 C--O 1.255 1.344 0 C-N-CA 119.289 -0.965 . . . . 0.0 111.437 -179.303 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -60.51 -47.93 83.98 Favored 'General case' 0 CA--C 1.513 -0.481 0 C-N-CA 119.254 -0.978 . . . . 0.0 109.757 177.522 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -63.94 -34.88 78.97 Favored 'General case' 0 CA--C 1.502 -0.878 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.974 178.064 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.536 ' O ' ' HB2' ' A' ' 21' ' ' LYS . . . -57.58 -51.91 67.56 Favored 'General case' 0 N--CA 1.434 -1.23 0 C-N-CA 118.587 -1.245 . . . . 0.0 109.527 -178.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.502 ' CD2' ' HG ' ' A' ' 36' ' ' LEU . 35.9 m-70 -79.25 -52.12 8.55 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 114.582 1.327 . . . . 0.0 114.582 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.45 ' OG ' ' O ' ' A' ' 25' ' ' LYS . 22.9 t -58.07 -40.77 81.85 Favored 'General case' 0 C--N 1.34 0.182 0 C-N-CA 118.78 -1.168 . . . . 0.0 108.919 -179.213 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.33 -44.0 67.58 Favored Glycine 0 C--N 1.343 0.928 0 CA-C-N 115.347 -0.842 . . . . 0.0 112.139 178.467 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.536 ' HB2' ' O ' ' A' ' 17' ' ' ALA . 6.2 ttpm? -59.4 -42.26 91.33 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 120.23 -0.588 . . . . 0.0 112.0 -179.372 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.445 ' C ' ' OE2' ' A' ' 32' ' ' GLU . 97.3 mt-10 -129.33 152.08 49.28 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 112.778 0.659 . . . . 0.0 112.778 179.771 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.12 -148.78 28.01 Favored Glycine 0 CA--C 1.523 0.592 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.317 177.743 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -71.15 139.77 50.34 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 179.3 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.45 ' O ' ' OG ' ' A' ' 19' ' ' SER . 7.5 mtmp? -61.41 -32.56 72.51 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.727 -0.67 . . . . 0.0 112.761 -178.173 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.591 ' OH ' ' CD2' ' B' ' 90' ' ' TRP . 99.0 m-85 -106.39 19.57 20.3 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 113.094 0.776 . . . . 0.0 113.094 -177.661 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.2 tptt -138.87 137.17 36.3 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 119.215 -0.994 . . . . 0.0 108.569 178.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.7 tp -110.13 130.19 55.58 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.552 -0.459 . . . . 0.0 109.806 -177.68 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.4 t -100.61 162.67 12.77 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.879 -178.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.3 ttpt -52.19 -47.31 65.63 Favored 'General case' 0 C--O 1.24 0.568 0 CA-C-O 121.239 0.543 . . . . 0.0 111.404 -178.402 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.598 ' HG3' ' N ' ' A' ' 32' ' ' GLU . 25.4 pttm -60.1 -48.44 81.7 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.958 -178.752 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.598 ' N ' ' HG3' ' A' ' 31' ' ' LYS . 93.9 mt-10 -63.61 -51.31 65.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.65 -0.704 . . . . 0.0 112.301 -178.181 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.9 pp -60.26 -36.52 77.98 Favored 'General case' 0 CA--C 1.501 -0.92 0 C-N-CA 119.223 -0.991 . . . . 0.0 110.678 -179.014 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.9 tptp -56.16 -36.72 68.62 Favored 'General case' 0 N--CA 1.436 -1.163 0 C-N-CA 117.912 -1.515 . . . . 0.0 107.983 178.407 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.829 ' O ' HG23 ' A' ' 39' ' ' THR . 96.8 mt-10 -74.98 -40.33 60.76 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 179.618 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.741 ' O ' HD23 ' A' ' 36' ' ' LEU . 4.0 tt -65.5 -45.43 83.61 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 120.174 -0.61 . . . . 0.0 111.058 -177.452 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.558 ' O ' ' O ' ' A' ' 41' ' ' LEU . 1.3 mm? -64.34 -44.06 92.65 Favored 'General case' 0 N--CA 1.463 0.195 0 C-N-CA 119.084 -1.046 . . . . 0.0 111.148 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -63.87 -39.41 94.13 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.454 -0.498 . . . . 0.0 111.876 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.829 HG23 ' O ' ' A' ' 35' ' ' GLU . 61.8 p -72.49 -33.01 66.66 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.688 -0.405 . . . . 0.0 111.737 -179.576 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -100.86 -59.06 1.77 Allowed 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 113.239 0.829 . . . . 0.0 113.239 -179.095 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.558 ' O ' ' O ' ' A' ' 37' ' ' LEU . 56.8 mt -98.65 140.82 32.29 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 120.39 -0.524 . . . . 0.0 111.481 -179.337 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -110.69 -60.77 1.77 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.526 179.596 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.49 -39.52 93.17 Favored Glycine 0 CA--C 1.531 1.09 0 N-CA-C 114.58 0.592 . . . . 0.0 114.58 -177.646 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -62.56 -53.81 49.14 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 118.236 1.018 . . . . 0.0 112.815 -177.826 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -73.97 -38.16 64.28 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 120.26 -0.576 . . . . 0.0 111.954 178.73 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -59.25 -30.6 68.38 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.189 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.98 -31.87 63.39 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.79 -177.81 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 -96.66 116.4 29.05 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 119.445 -0.902 . . . . 0.0 109.47 179.401 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -63.9 -37.26 86.73 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 -178.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -71.6 142.43 49.98 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 113.164 0.802 . . . . 0.0 113.164 -177.212 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.543 ' O ' HG12 ' A' ' 54' ' ' VAL . 5.0 m -72.03 -29.14 31.81 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.146 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 177.198 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -58.87 -24.96 62.85 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 114.279 -1.328 . . . . 0.0 109.01 177.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.502 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -52.24 -36.84 53.54 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 114.674 -1.148 . . . . 0.0 110.665 -178.138 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.573 HG13 ' N ' ' A' ' 55' ' ' ASP . 7.3 p -60.28 -43.7 94.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 C-N-CA 119.189 -1.004 . . . . 0.0 110.024 178.703 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.573 ' N ' HG13 ' A' ' 54' ' ' VAL . 91.7 m-20 -63.0 -43.94 97.39 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.415 179.58 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 57.2 mtmt -60.91 -38.31 85.26 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 119.97 -0.692 . . . . 0.0 110.345 179.292 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 53' ' ' ALA . 79.5 t -64.67 -45.78 94.29 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 120.212 -0.595 . . . . 0.0 110.592 179.331 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -70.96 -34.71 71.71 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 -179.115 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.3 mtmt -59.43 -41.13 88.85 Favored 'General case' 0 N--CA 1.462 0.167 0 C-N-CA 119.441 -0.904 . . . . 0.0 111.796 -178.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -64.14 -40.43 96.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.491 0.662 . . . . 0.0 110.349 179.151 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.472 HD11 HD22 ' A' ' 77' ' ' LEU . 80.6 mt -68.57 -33.21 73.68 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.919 -1.037 . . . . 0.0 112.57 -179.619 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.491 ' OD1' ' OD1' ' A' ' 66' ' ' ASP . 50.7 t0 -72.89 85.99 1.27 Allowed 'General case' 0 N--CA 1.445 -0.678 0 C-N-CA 118.96 -1.096 . . . . 0.0 111.027 -177.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -63.21 -47.22 83.47 Favored 'General case' 0 CA--C 1.505 -0.769 0 CA-C-O 122.515 1.15 . . . . 0.0 111.04 176.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -59.2 -35.58 73.86 Favored 'General case' 0 C--N 1.3 -1.579 0 CA-C-N 112.758 -2.019 . . . . 0.0 111.358 -179.1 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.5 18.54 70.78 Favored Glycine 0 CA--C 1.52 0.379 0 N-CA-C 108.252 -1.939 . . . . 0.0 108.252 -177.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.526 ' O ' ' OE1' ' A' ' 68' ' ' GLU . 24.0 p-10 -86.41 1.5 51.05 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 -178.449 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 82.84 1.51 90.6 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 178.509 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.526 ' OE1' ' O ' ' A' ' 66' ' ' ASP . 52.7 mp0 -120.11 155.87 32.15 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-O 121.507 0.67 . . . . 0.0 112.243 179.629 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 48.7 t -108.26 132.05 57.1 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.485 0 N-CA-C 107.545 -1.279 . . . . 0.0 107.545 176.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.55 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 52.1 t0 -101.89 159.99 14.87 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.125 0.488 . . . . 0.0 111.451 -178.132 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.55 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 1.0 OUTLIER -50.16 -43.79 52.34 Favored 'General case' 0 C--O 1.217 -0.611 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.234 -178.584 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.407 ' HG2' HG21 ' B' ' 83' ' ' VAL . 94.0 mt-30 -61.76 -40.5 95.35 Favored 'General case' 0 C--O 1.246 0.874 0 C-N-CA 119.601 -0.84 . . . . 0.0 110.711 178.814 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.451 ' O ' HG22 ' A' ' 76' ' ' VAL . 86.2 mt-10 -64.72 -41.92 95.62 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-O 122.207 1.003 . . . . 0.0 109.779 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -63.49 -40.82 98.09 Favored 'General case' 0 C--O 1.24 0.587 0 CA-C-N 114.671 -1.15 . . . . 0.0 110.02 178.681 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.615 HG13 ' HB1' ' B' ' 79' ' ' ALA . 0.5 OUTLIER -60.72 -48.2 89.75 Favored 'Isoleucine or valine' 0 C--O 1.247 0.929 0 CA-C-N 113.72 -1.582 . . . . 0.0 109.974 -179.072 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.451 HG22 ' O ' ' A' ' 73' ' ' GLU . 14.6 m -67.48 -34.49 68.85 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 C-N-CA 117.811 -1.556 . . . . 0.0 109.26 178.625 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.472 HD22 HD11 ' A' ' 61' ' ' LEU . 51.6 tp -56.14 -52.98 62.4 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 119.164 -1.014 . . . . 0.0 112.286 178.344 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 34.3 m -69.84 -35.74 66.36 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.242 0 C-N-CA 118.737 -1.185 . . . . 0.0 111.868 -178.821 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.658 ' HB2' ' HB2' ' B' ' 79' ' ' ALA . . . -68.67 -47.96 65.18 Favored 'General case' 0 C--O 1.248 1.016 0 C-N-CA 119.05 -1.06 . . . . 0.0 111.715 -179.459 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.33 -40.14 96.5 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 179.497 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.6 mp -65.37 -34.22 77.8 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 119.258 -0.977 . . . . 0.0 109.694 176.625 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 39.5 m -62.86 -50.2 71.87 Favored 'General case' 0 C--O 1.243 0.752 0 C-N-CA 119.793 -0.763 . . . . 0.0 111.275 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.41 HG21 ' HG2' ' B' ' 72' ' ' GLN . 13.7 p -63.9 -39.02 83.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 119.15 -1.02 . . . . 0.0 110.703 178.719 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.578 ' O ' ' CD1' ' A' ' 88' ' ' PHE . . . -64.93 -31.74 73.12 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 121.17 0.51 . . . . 0.0 109.838 178.849 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 18.1 t -67.53 -54.08 23.1 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.7 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 35.4 t30 -56.56 -41.78 77.47 Favored 'General case' 0 C--O 1.24 0.604 0 C-N-CA 118.633 -1.227 . . . . 0.0 109.089 179.319 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -59.77 -38.24 81.28 Favored 'General case' 0 C--O 1.22 -0.455 0 C-N-CA 120.174 -0.61 . . . . 0.0 109.398 178.615 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.578 ' CD1' ' O ' ' A' ' 84' ' ' ALA . 4.7 m-30 -64.46 -41.34 96.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -66.46 -55.32 16.22 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 120.13 -0.628 . . . . 0.0 111.542 -179.328 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.607 ' CD2' ' OH ' ' B' ' 26' ' ' TYR . 23.7 t-105 -64.84 -40.11 94.64 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.321 0.582 . . . . 0.0 112.313 179.411 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.54 ' O ' ' O ' ' A' ' 88' ' ' PHE . 1.3 tm-20 . . . . . 0 C--N 1.32 -0.715 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.121 -177.654 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 . . . . . 0 C--O 1.236 0.35 0 N-CA-C 112.74 0.644 . . . . 0.0 112.74 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.712 ' O ' HD23 ' B' ' 4' ' ' LEU . 5.0 tt -63.68 -42.05 98.09 Favored 'General case' 0 C--O 1.243 0.718 0 C-N-CA 119.316 -0.954 . . . . 0.0 109.087 -178.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 5' ' ' GLU . . . . . 0.458 ' C ' ' OE1' ' B' ' 5' ' ' GLU . 8.6 tm-20 -63.72 -39.17 93.64 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 114.808 -1.087 . . . . 0.0 109.092 179.245 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 46.3 m -60.25 -40.16 89.31 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.089 178.542 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.41 -44.11 95.57 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.114 179.426 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 98.7 mtp -59.33 -41.16 88.46 Favored 'General case' 0 C--O 1.249 1.055 0 CA-C-O 121.852 0.834 . . . . 0.0 109.393 178.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -64.77 -36.59 84.8 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.008 178.28 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 49.2 m -63.58 -43.7 96.23 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 119.774 -0.77 . . . . 0.0 110.41 179.366 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 42.5 mt -61.76 -42.63 99.23 Favored 'General case' 0 C--O 1.24 0.562 0 C-N-CA 119.191 -1.004 . . . . 0.0 108.815 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.4 mt -62.1 -45.59 98.39 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.135 0 C-N-CA 119.81 -0.756 . . . . 0.0 111.651 178.633 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -61.9 -41.6 98.09 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -178.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 13.1 m -73.88 -41.16 53.59 Favored 'Isoleucine or valine' 0 C--O 1.256 1.397 0 C-N-CA 119.384 -0.926 . . . . 0.0 111.396 -179.31 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -60.53 -47.9 84.15 Favored 'General case' 0 CA--C 1.512 -0.496 0 C-N-CA 119.259 -0.976 . . . . 0.0 109.779 177.554 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -63.93 -34.93 79.09 Favored 'General case' 0 CA--C 1.501 -0.91 0 CA-C-N 115.287 -0.87 . . . . 0.0 109.882 178.033 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.528 ' O ' ' HB2' ' B' ' 21' ' ' LYS . . . -57.7 -51.84 67.88 Favored 'General case' 0 N--CA 1.435 -1.209 0 C-N-CA 118.474 -1.29 . . . . 0.0 109.561 -178.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.495 ' HB2' HD12 ' B' ' 36' ' ' LEU . 36.1 m-70 -79.04 -52.28 8.43 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 114.615 1.339 . . . . 0.0 114.615 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.453 ' OG ' ' O ' ' B' ' 25' ' ' LYS . 23.0 t -58.0 -40.84 81.75 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 118.789 -1.164 . . . . 0.0 108.979 -179.235 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.16 -44.22 67.59 Favored Glycine 0 C--N 1.342 0.904 0 CA-C-N 115.372 -0.831 . . . . 0.0 112.085 178.505 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 21' ' ' LYS . . . . . 0.528 ' HB2' ' O ' ' B' ' 17' ' ' ALA . 6.2 ttpm? -59.34 -42.26 91.09 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 120.199 -0.6 . . . . 0.0 111.993 -179.248 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.446 ' C ' ' OE2' ' B' ' 32' ' ' GLU . 97.3 mt-10 -129.31 152.22 49.11 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.96 -148.7 27.51 Favored Glycine 0 CA--C 1.523 0.585 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.367 177.745 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -71.19 139.72 50.24 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 179.316 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.453 ' O ' ' OG ' ' B' ' 19' ' ' SER . 7.5 mtmp? -61.42 -32.5 72.46 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.766 -178.193 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.607 ' OH ' ' CD2' ' A' ' 90' ' ' TRP . 99.0 m-85 -106.33 19.6 20.26 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.11 0.782 . . . . 0.0 113.11 -177.799 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 26.9 tptt -138.74 137.25 36.57 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 119.197 -1.001 . . . . 0.0 108.643 178.816 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 13.7 tp -110.18 130.21 55.58 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 120.435 -0.506 . . . . 0.0 109.759 -177.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 27.7 t -100.53 162.69 12.76 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.872 -178.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 20.3 ttpt -52.19 -47.36 65.59 Favored 'General case' 0 C--O 1.24 0.585 0 CA-C-O 121.278 0.561 . . . . 0.0 111.452 -178.484 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.609 ' HG3' ' N ' ' B' ' 32' ' ' GLU . 25.4 pttm -60.12 -48.41 81.83 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.932 -178.714 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.609 ' N ' ' HG3' ' B' ' 31' ' ' LYS . 93.9 mt-10 -63.56 -51.34 65.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.253 -178.174 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.9 pp -60.33 -36.48 78.06 Favored 'General case' 0 CA--C 1.5 -0.966 0 C-N-CA 119.21 -0.996 . . . . 0.0 110.703 -178.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 10.9 tptp -56.13 -36.65 68.47 Favored 'General case' 0 N--CA 1.435 -1.193 0 C-N-CA 117.92 -1.512 . . . . 0.0 108.102 178.299 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.831 ' O ' HG23 ' B' ' 39' ' ' THR . 96.8 mt-10 -74.99 -40.38 60.73 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 179.484 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.739 ' O ' HD23 ' B' ' 36' ' ' LEU . 4.0 tt -65.55 -45.32 83.81 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 120.108 -0.637 . . . . 0.0 111.084 -177.458 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.546 ' O ' ' O ' ' B' ' 41' ' ' LEU . 1.3 mm? -64.34 -44.0 92.85 Favored 'General case' 0 C--N 1.34 0.195 0 C-N-CA 119.153 -1.019 . . . . 0.0 111.165 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -63.96 -39.46 94.18 Favored 'General case' 0 C--N 1.333 -0.138 0 C-N-CA 120.508 -0.477 . . . . 0.0 111.839 179.675 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.831 HG23 ' O ' ' B' ' 35' ' ' GLU . 61.8 p -72.39 -33.03 66.9 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.778 -179.625 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -100.87 -59.05 1.77 Allowed 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -179.059 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.546 ' O ' ' O ' ' B' ' 37' ' ' LEU . 56.4 mt -98.61 140.81 32.27 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.181 0.515 . . . . 0.0 111.498 -179.389 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -110.67 -60.69 1.78 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.648 179.495 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.51 -39.48 93.16 Favored Glycine 0 CA--C 1.532 1.114 0 CA-C-N 115.828 -0.623 . . . . 0.0 114.556 -177.712 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -62.56 -53.81 49.08 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 118.172 0.986 . . . . 0.0 112.796 -177.742 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -73.9 -38.2 64.42 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 120.36 -0.536 . . . . 0.0 111.97 178.706 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -59.25 -30.58 68.38 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.279 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.0 -31.87 63.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.768 -177.777 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -96.76 116.38 29.05 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 119.509 -0.876 . . . . 0.0 109.471 179.447 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -63.81 -37.27 86.75 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 114.177 1.176 . . . . 0.0 114.177 -178.787 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -71.63 142.49 49.94 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 -177.16 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 51' ' ' VAL . . . . . 0.552 ' O ' HG12 ' B' ' 54' ' ' VAL . 5.0 m -72.04 -29.13 31.72 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.16 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 177.15 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -58.86 -25.08 62.97 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 114.216 -1.357 . . . . 0.0 108.968 177.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.5 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -52.13 -36.83 52.44 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 114.679 -1.146 . . . . 0.0 110.72 -178.1 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.591 HG13 ' N ' ' B' ' 55' ' ' ASP . 7.4 p -60.32 -43.68 94.18 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 C-N-CA 119.208 -0.997 . . . . 0.0 109.952 178.759 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.591 ' N ' HG13 ' B' ' 54' ' ' VAL . 91.7 m-20 -63.03 -43.95 97.25 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.439 179.575 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 57.2 mtmt -60.9 -38.26 85.11 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 119.958 -0.697 . . . . 0.0 110.394 179.223 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.5 HG23 ' O ' ' B' ' 53' ' ' ALA . 79.5 t -64.65 -45.73 94.5 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 C-N-CA 120.201 -0.6 . . . . 0.0 110.644 179.262 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -70.97 -34.76 71.74 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 113.944 1.09 . . . . 0.0 113.944 -179.101 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 13.3 mtmt -59.39 -41.11 88.64 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 119.28 -0.968 . . . . 0.0 111.894 -178.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -64.19 -40.43 96.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.481 0.658 . . . . 0.0 110.379 179.154 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.477 HD11 HD22 ' B' ' 77' ' ' LEU . 80.4 mt -68.61 -32.99 73.27 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.892 -1.049 . . . . 0.0 112.634 -179.724 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.479 ' OD1' ' OD1' ' B' ' 66' ' ' ASP . 50.7 t0 -73.04 86.1 1.33 Allowed 'General case' 0 N--CA 1.446 -0.653 0 C-N-CA 118.854 -1.138 . . . . 0.0 111.05 -177.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -63.23 -47.27 83.19 Favored 'General case' 0 CA--C 1.503 -0.83 0 CA-C-O 122.53 1.157 . . . . 0.0 110.991 177.024 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -59.17 -35.61 73.84 Favored 'General case' 0 C--N 1.3 -1.567 0 CA-C-N 112.819 -1.992 . . . . 0.0 111.348 -179.061 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.43 18.58 70.87 Favored Glycine 0 CA--C 1.521 0.417 0 N-CA-C 108.322 -1.911 . . . . 0.0 108.322 -177.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.518 ' O ' ' OE1' ' B' ' 68' ' ' GLU . 23.9 p-10 -86.31 1.37 51.26 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 114.956 -0.622 . . . . 0.0 112.665 -178.456 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 82.88 1.54 90.62 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 178.563 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.518 ' OE1' ' O ' ' B' ' 66' ' ' ASP . 52.6 mp0 -120.17 155.86 32.26 Favored 'General case' 0 C--O 1.239 0.548 0 CA-C-O 121.635 0.731 . . . . 0.0 112.202 179.605 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 48.6 t -108.17 132.02 57.05 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 176.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.548 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 50.9 t0 -101.3 160.01 14.78 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.073 0.463 . . . . 0.0 111.421 -178.08 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.548 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 1.0 OUTLIER -50.42 -43.8 54.97 Favored 'General case' 0 C--O 1.218 -0.604 0 CA-C-N 115.538 -0.756 . . . . 0.0 109.172 -178.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.41 ' HG2' HG21 ' A' ' 83' ' ' VAL . 93.9 mt-30 -61.74 -40.57 95.55 Favored 'General case' 0 C--O 1.246 0.898 0 C-N-CA 119.663 -0.815 . . . . 0.0 110.709 178.841 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.443 ' O ' HG22 ' B' ' 76' ' ' VAL . 86.3 mt-10 -64.7 -41.77 95.79 Favored 'General case' 0 C--O 1.24 0.57 0 CA-C-O 122.172 0.987 . . . . 0.0 109.875 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -63.48 -40.91 98.35 Favored 'General case' 0 C--O 1.24 0.593 0 CA-C-N 114.686 -1.143 . . . . 0.0 110.013 178.645 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.616 HG13 ' HB1' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -60.72 -48.27 89.49 Favored 'Isoleucine or valine' 0 C--O 1.247 0.951 0 CA-C-N 113.736 -1.575 . . . . 0.0 109.921 -179.01 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.443 HG22 ' O ' ' B' ' 73' ' ' GLU . 14.6 m -67.49 -34.4 68.27 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.497 0 C-N-CA 117.855 -1.538 . . . . 0.0 109.262 178.646 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.477 HD22 HD11 ' B' ' 61' ' ' LEU . 51.5 tp -56.12 -53.02 62.08 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 119.237 -0.985 . . . . 0.0 112.263 178.293 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 34.3 m -69.94 -35.67 65.56 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.215 0 C-N-CA 118.681 -1.208 . . . . 0.0 111.851 -178.797 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.658 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . . . -68.63 -48.03 65.12 Favored 'General case' 0 C--O 1.248 1.019 0 C-N-CA 119.068 -1.053 . . . . 0.0 111.701 -179.512 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.22 -40.2 96.8 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 179.489 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 5.5 mp -65.38 -34.18 77.7 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 119.219 -0.992 . . . . 0.0 109.741 176.589 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 39.6 m -62.84 -50.13 72.16 Favored 'General case' 0 C--O 1.244 0.814 0 C-N-CA 119.803 -0.759 . . . . 0.0 111.242 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.407 HG21 ' HG2' ' A' ' 72' ' ' GLN . 13.7 p -63.98 -39.11 84.26 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 119.133 -1.027 . . . . 0.0 110.626 178.744 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.585 ' O ' ' CD1' ' B' ' 88' ' ' PHE . . . -64.89 -31.7 73.05 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-O 121.21 0.528 . . . . 0.0 109.84 178.879 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 18.1 t -67.53 -54.06 23.16 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.691 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -56.59 -41.8 77.6 Favored 'General case' 0 C--O 1.24 0.585 0 C-N-CA 118.588 -1.245 . . . . 0.0 109.124 179.336 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -59.76 -38.2 81.12 Favored 'General case' 0 C--O 1.22 -0.499 0 C-N-CA 120.187 -0.605 . . . . 0.0 109.438 178.596 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.585 ' CD1' ' O ' ' B' ' 84' ' ' ALA . 4.7 m-30 -64.51 -41.33 96.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -66.4 -55.39 16.04 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.183 -0.607 . . . . 0.0 111.609 -179.385 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 90' ' ' TRP . . . . . 0.591 ' CD2' ' OH ' ' A' ' 26' ' ' TYR . 23.8 t-105 -64.77 -40.14 94.79 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.261 0.553 . . . . 0.0 112.258 179.369 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 91' ' ' GLU . . . . . 0.53 ' O ' ' O ' ' B' ' 88' ' ' PHE . 1.3 tm-20 . . . . . 0 C--N 1.32 -0.711 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.161 -177.658 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 . . . . . 0 C--O 1.234 0.268 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.637 ' O ' HD23 ' A' ' 4' ' ' LEU . 5.4 tt -62.37 -41.82 98.92 Favored 'General case' 0 C--O 1.242 0.659 0 CA-C-O 121.873 0.844 . . . . 0.0 108.755 -179.547 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.453 ' OE1' ' C ' ' A' ' 5' ' ' GLU . 7.9 tm-20 -63.77 -40.27 96.27 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 114.742 -1.117 . . . . 0.0 109.515 179.581 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 43.7 m -60.26 -40.12 89.21 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 178.789 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.38 -44.43 94.76 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.344 179.535 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 96.0 mtp -59.49 -41.02 88.89 Favored 'General case' 0 C--O 1.25 1.095 0 CA-C-O 121.909 0.862 . . . . 0.0 109.507 179.12 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.76 -35.66 81.8 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.091 -0.958 . . . . 0.0 109.991 178.053 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 54.1 m -64.28 -43.45 94.75 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 119.858 -0.737 . . . . 0.0 110.255 179.434 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 36.5 mt -61.73 -42.56 99.12 Favored 'General case' 0 C--O 1.241 0.606 0 C-N-CA 119.188 -1.005 . . . . 0.0 108.805 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.6 mt -62.2 -45.24 99.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 C-N-CA 119.709 -0.797 . . . . 0.0 111.576 178.56 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -61.93 -41.58 98.11 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.786 0.662 . . . . 0.0 112.786 -178.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 16.0 m -73.84 -41.37 53.87 Favored 'Isoleucine or valine' 0 C--O 1.255 1.377 0 C-N-CA 119.241 -0.984 . . . . 0.0 111.56 -179.333 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -59.91 -47.8 84.3 Favored 'General case' 0 CA--C 1.511 -0.522 0 C-N-CA 119.221 -0.992 . . . . 0.0 109.751 177.383 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -64.03 -34.71 78.63 Favored 'General case' 0 CA--C 1.502 -0.894 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.908 178.068 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.535 ' O ' ' HB2' ' A' ' 21' ' ' LYS . . . -57.59 -52.03 67.06 Favored 'General case' 0 N--CA 1.435 -1.182 0 C-N-CA 118.527 -1.269 . . . . 0.0 109.564 -178.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.488 ' CD2' ' HG ' ' A' ' 36' ' ' LEU . 38.0 m-70 -79.43 -51.78 8.92 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.468 ' OG ' ' O ' ' A' ' 25' ' ' LYS . 24.4 t -58.02 -40.84 81.84 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 118.823 -1.151 . . . . 0.0 108.927 -179.339 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.77 -44.65 68.81 Favored Glycine 0 C--N 1.343 0.932 0 CA-C-N 115.254 -0.885 . . . . 0.0 112.151 178.365 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.535 ' HB2' ' O ' ' A' ' 17' ' ' ALA . 6.3 ttpm? -59.52 -42.4 92.19 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.18 -0.608 . . . . 0.0 112.223 -179.138 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.445 ' C ' ' OE2' ' A' ' 32' ' ' GLU . 97.3 mt-10 -129.31 151.64 49.75 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.04 -148.31 32.73 Favored Glycine 0 CA--C 1.524 0.629 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.285 177.668 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -70.85 139.21 50.8 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 179.177 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.468 ' O ' ' OG ' ' A' ' 19' ' ' SER . 31.8 mtmt -61.62 -32.92 73.08 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 -177.872 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.596 ' OH ' ' CD2' ' B' ' 90' ' ' TRP . 95.9 m-85 -107.12 20.18 19.36 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -177.392 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.9 tptt -138.89 137.47 36.55 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 178.548 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.7 tp -111.08 126.97 55.38 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 -177.729 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 97.7 p -96.84 166.91 11.4 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.699 -0.228 . . . . 0.0 110.781 -179.535 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.7 ttpt -54.44 -47.97 72.23 Favored 'General case' 0 C--O 1.242 0.66 0 CA-C-O 121.012 0.434 . . . . 0.0 112.043 -177.773 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.581 ' CG ' ' N ' ' A' ' 32' ' ' GLU . 26.0 pttm -60.51 -48.53 81.38 Favored 'General case' 0 N--CA 1.44 -0.93 0 C-N-CA 119.714 -0.794 . . . . 0.0 109.737 -178.475 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.581 ' N ' ' CG ' ' A' ' 31' ' ' LYS . 95.6 mt-10 -62.54 -50.25 72.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.516 -0.765 . . . . 0.0 112.529 -178.443 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.454 HD22 HG21 ' A' ' 69' ' ' VAL . 1.6 pp -60.86 -36.09 78.27 Favored 'General case' 0 CA--C 1.501 -0.941 0 C-N-CA 118.771 -1.172 . . . . 0.0 110.142 -179.422 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.513 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 10.4 tptp -56.09 -36.84 68.58 Favored 'General case' 0 N--CA 1.435 -1.186 0 C-N-CA 118.244 -1.383 . . . . 0.0 108.13 178.321 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.848 ' O ' HG23 ' A' ' 39' ' ' THR . 97.0 mt-10 -74.6 -40.88 61.32 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 113.076 0.769 . . . . 0.0 113.076 179.719 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.75 ' O ' HD23 ' A' ' 36' ' ' LEU . 3.9 tt -65.38 -44.9 86.08 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 120.044 -0.663 . . . . 0.0 110.99 -177.316 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.556 ' O ' ' O ' ' A' ' 41' ' ' LEU . 1.4 mm? -65.02 -44.67 88.41 Favored 'General case' 0 C--N 1.342 0.243 0 C-N-CA 119.083 -1.047 . . . . 0.0 111.513 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.513 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 27.3 mt-30 -63.73 -38.98 93.13 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.381 -0.528 . . . . 0.0 111.628 179.688 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.848 HG23 ' O ' ' A' ' 35' ' ' GLU . 63.4 p -72.11 -32.91 67.41 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.609 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -101.34 -59.52 1.69 Allowed 'General case' 0 N--CA 1.463 0.189 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 -178.799 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.556 ' O ' ' O ' ' A' ' 37' ' ' LEU . 53.6 mt -99.39 142.23 31.14 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.323 0.582 . . . . 0.0 111.35 -178.85 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 70.4 m -108.49 -77.74 0.6 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.537 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.454 ' O ' ' HB2' ' A' ' 47' ' ' ALA . . . -56.8 -36.42 72.43 Favored Glycine 0 CA--C 1.531 1.093 0 CA-C-N 115.471 -0.786 . . . . 0.0 113.92 -178.094 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -61.51 -57.01 13.83 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 118.068 0.934 . . . . 0.0 112.755 -177.669 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.577 ' O ' HD13 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -71.12 -39.83 71.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.597 0.713 . . . . 0.0 109.58 -179.736 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -63.32 -29.35 70.68 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 114.684 -1.144 . . . . 0.0 112.706 179.233 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.454 ' HB2' ' O ' ' A' ' 43' ' ' GLY . . . -55.1 -29.82 58.44 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -176.513 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 95.2 mm-40 -60.55 -36.81 79.35 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 119.706 -0.798 . . . . 0.0 109.355 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.524 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 94.7 mttt 60.92 38.55 17.55 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.422 -0.808 . . . . 0.0 113.079 178.582 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.524 ' OD1' ' O ' ' A' ' 49' ' ' LYS . 91.0 m-20 -141.4 149.91 41.69 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.319 178.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.2 m -72.87 -31.51 36.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.487 179.611 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -87.07 2.72 48.8 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.594 179.691 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.462 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -58.61 -38.23 77.56 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.443 -0.503 . . . . 0.0 110.711 -178.842 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.609 HG13 ' N ' ' A' ' 55' ' ' ASP . 7.2 p -60.17 -44.3 95.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 C-N-CA 119.721 -0.792 . . . . 0.0 110.276 179.602 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.609 ' N ' HG13 ' A' ' 54' ' ' VAL . 92.2 m-20 -62.61 -43.92 97.59 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.297 179.376 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.96 -40.43 95.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.882 179.381 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 53' ' ' ALA . 69.4 t -65.84 -44.09 92.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.946 -0.57 . . . . 0.0 112.143 -179.253 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -69.05 -33.49 73.66 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 -178.871 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.7 mtmm -60.0 -41.32 91.81 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 113.283 0.845 . . . . 0.0 113.283 -178.195 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -72.22 -36.69 69.22 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 119.556 -0.858 . . . . 0.0 110.685 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.473 ' O ' ' CD ' ' A' ' 73' ' ' GLU . 88.7 mt -67.51 -33.86 75.95 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.86 179.585 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.457 ' OD1' ' OD1' ' A' ' 66' ' ' ASP . 51.8 t0 -72.43 86.72 1.15 Allowed 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 119.146 -1.022 . . . . 0.0 111.095 -178.048 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -63.18 -47.23 83.49 Favored 'General case' 0 CA--C 1.506 -0.744 0 CA-C-O 122.433 1.111 . . . . 0.0 110.878 176.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -59.36 -35.52 74.04 Favored 'General case' 0 C--N 1.3 -1.575 0 CA-C-N 112.929 -1.941 . . . . 0.0 111.31 -179.215 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.57 18.64 70.34 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 108.494 -1.842 . . . . 0.0 108.494 -178.047 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.514 ' O ' ' OE1' ' A' ' 68' ' ' GLU . 23.2 p-10 -87.12 2.04 51.08 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -178.44 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 83.93 1.56 89.76 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 178.649 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.514 ' OE1' ' O ' ' A' ' 66' ' ' ASP . 51.3 mp0 -120.64 156.75 31.04 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-O 121.498 0.666 . . . . 0.0 112.137 179.719 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.454 HG21 HD22 ' A' ' 33' ' ' LEU . 49.7 t -105.69 131.7 54.5 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 N-CA-C 107.178 -1.415 . . . . 0.0 107.178 176.707 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.543 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 51.3 t0 -101.55 160.04 14.78 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.146 0.498 . . . . 0.0 111.341 -178.256 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.543 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 1.0 OUTLIER -50.09 -43.34 51.39 Favored 'General case' 0 C--O 1.215 -0.723 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.002 -178.471 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.414 ' HG2' HG21 ' B' ' 83' ' ' VAL . 94.3 mt-30 -62.29 -40.94 97.91 Favored 'General case' 0 C--O 1.245 0.832 0 C-N-CA 119.849 -0.74 . . . . 0.0 110.999 178.8 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.473 ' CD ' ' O ' ' A' ' 61' ' ' LEU . 87.9 mt-10 -64.63 -41.95 95.81 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 122.304 1.05 . . . . 0.0 109.602 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -63.46 -40.72 97.87 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-N 114.409 -1.269 . . . . 0.0 109.928 178.459 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.645 HG13 ' HB1' ' B' ' 79' ' ' ALA . 0.5 OUTLIER -60.44 -48.33 88.87 Favored 'Isoleucine or valine' 0 C--O 1.248 0.993 0 CA-C-N 113.842 -1.527 . . . . 0.0 109.871 -178.943 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.47 HG22 ' O ' ' A' ' 73' ' ' GLU . 15.9 m -67.38 -34.59 69.74 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.585 0 C-N-CA 117.871 -1.532 . . . . 0.0 109.244 178.644 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 50.2 tp -56.38 -51.71 67.32 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 119.095 -1.042 . . . . 0.0 112.298 178.34 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 34.6 m -70.3 -34.97 60.67 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.358 0 C-N-CA 118.734 -1.186 . . . . 0.0 111.62 -178.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.715 ' HB2' ' HB2' ' B' ' 79' ' ' ALA . . . -68.26 -47.77 66.85 Favored 'General case' 0 C--O 1.251 1.14 0 C-N-CA 118.893 -1.123 . . . . 0.0 111.539 -179.663 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.51 -39.72 95.17 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.2 179.385 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.8 mp -65.1 -34.13 77.66 Favored 'General case' 0 C--O 1.22 -0.492 0 C-N-CA 119.239 -0.984 . . . . 0.0 109.706 176.533 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 31.7 m -63.14 -50.25 71.18 Favored 'General case' 0 C--O 1.245 0.847 0 C-N-CA 119.83 -0.748 . . . . 0.0 111.154 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.419 HG21 ' HG2' ' B' ' 72' ' ' GLN . 12.8 p -64.05 -39.66 86.28 Favored 'Isoleucine or valine' 0 C--O 1.239 0.537 0 C-N-CA 118.935 -1.106 . . . . 0.0 111.045 179.182 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.459 ' O ' ' CD2' ' A' ' 88' ' ' PHE . . . -64.91 -34.49 78.51 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 120.386 -0.526 . . . . 0.0 109.725 178.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 45.9 t -62.89 -54.67 35.09 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.643 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 36.8 t30 -56.24 -40.35 74.0 Favored 'General case' 0 C--O 1.238 0.496 0 C-N-CA 118.582 -1.247 . . . . 0.0 108.77 178.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.673 ' O ' ' HB2' ' A' ' 91' ' ' GLU . 86.7 m-20 -59.64 -42.17 92.16 Favored 'General case' 0 C--O 1.203 -1.388 0 C-N-CA 120.227 -0.589 . . . . 0.0 110.424 178.717 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.529 ' O ' ' O ' ' A' ' 91' ' ' GLU . 76.0 m-85 -67.03 -35.09 79.12 Favored 'General case' 0 C--N 1.31 -1.142 0 C-N-CA 117.274 -1.77 . . . . 0.0 110.592 178.709 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -64.25 -61.97 1.91 Allowed 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 119.682 -0.807 . . . . 0.0 111.715 -178.718 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.596 ' CG ' ' OH ' ' B' ' 26' ' ' TYR . 18.7 t-105 -70.09 -43.48 70.99 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 121.64 0.733 . . . . 0.0 111.483 178.778 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.673 ' HB2' ' O ' ' A' ' 87' ' ' ASN . 69.6 mm-40 . . . . . 0 C--N 1.321 -0.636 0 CA-C-N 114.48 -1.236 . . . . 0.0 111.609 -178.731 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 . . . . . 0 C--O 1.234 0.27 0 N-CA-C 111.753 0.279 . . . . 0.0 111.753 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.628 ' O ' HD23 ' B' ' 4' ' ' LEU . 5.4 tt -62.4 -41.77 98.91 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.911 0.862 . . . . 0.0 108.714 -179.514 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 5' ' ' GLU . . . . . 0.457 ' C ' ' OE1' ' B' ' 5' ' ' GLU . 7.9 tm-20 -63.82 -40.37 96.45 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 114.792 -1.095 . . . . 0.0 109.456 179.561 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 43.3 m -60.25 -39.91 88.4 Favored 'General case' 0 CA--C 1.515 -0.397 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 178.791 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.68 -44.25 94.28 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.282 179.591 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 96.0 mtp -59.73 -40.96 89.79 Favored 'General case' 0 C--O 1.25 1.112 0 CA-C-O 121.822 0.82 . . . . 0.0 109.451 179.185 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.7 -36.37 84.06 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.874 178.095 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 52.2 m -63.47 -43.67 96.65 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 119.874 -0.73 . . . . 0.0 110.419 179.272 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 41.8 mt -61.7 -42.5 99.02 Favored 'General case' 0 C--O 1.24 0.56 0 C-N-CA 119.185 -1.006 . . . . 0.0 108.816 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.7 mt -62.11 -45.41 98.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.489 178.598 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -61.93 -41.48 97.99 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -178.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 15.9 m -73.89 -41.41 53.53 Favored 'Isoleucine or valine' 0 C--O 1.256 1.412 0 C-N-CA 119.25 -0.98 . . . . 0.0 111.494 -179.354 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -59.87 -47.88 83.95 Favored 'General case' 0 CA--C 1.511 -0.521 0 C-N-CA 119.308 -0.957 . . . . 0.0 109.693 177.361 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -63.98 -34.71 78.61 Favored 'General case' 0 CA--C 1.502 -0.887 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.934 178.086 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.527 ' O ' ' HB2' ' B' ' 21' ' ' LYS . . . -57.58 -52.06 66.93 Favored 'General case' 0 N--CA 1.435 -1.211 0 C-N-CA 118.521 -1.271 . . . . 0.0 109.615 -178.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.492 ' HB2' HD12 ' B' ' 36' ' ' LEU . 37.9 m-70 -79.22 -51.94 8.81 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 114.584 1.327 . . . . 0.0 114.584 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.457 ' OG ' ' O ' ' B' ' 25' ' ' LYS . 24.4 t -58.05 -40.87 82.02 Favored 'General case' 0 C--N 1.341 0.198 0 C-N-CA 118.814 -1.155 . . . . 0.0 108.971 -179.271 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.91 -44.42 68.42 Favored Glycine 0 C--N 1.343 0.969 0 CA-C-N 115.22 -0.9 . . . . 0.0 112.118 178.474 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 21' ' ' LYS . . . . . 0.527 ' HB2' ' O ' ' B' ' 17' ' ' ALA . 6.3 ttpm? -59.59 -42.45 92.56 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.213 -0.595 . . . . 0.0 112.23 -179.194 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.45 ' C ' ' OE2' ' B' ' 32' ' ' GLU . 97.3 mt-10 -129.27 151.64 49.71 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.93 -148.2 32.48 Favored Glycine 0 N--CA 1.465 0.588 0 CA-C-N 115.762 -0.654 . . . . 0.0 112.371 177.717 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -70.89 139.2 50.7 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 179.178 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.457 ' O ' ' OG ' ' B' ' 19' ' ' SER . 31.8 mtmt -61.52 -32.94 73.0 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 -177.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.596 ' OH ' ' CG ' ' A' ' 90' ' ' TRP . 96.0 m-85 -107.12 20.19 19.35 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 -177.346 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 33.3 tptt -138.8 137.52 36.73 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 178.519 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 13.6 tp -111.06 126.84 55.24 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 -177.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 97.7 p -96.8 166.91 11.41 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.75 -0.204 . . . . 0.0 110.798 -179.555 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 20.6 ttpt -54.37 -48.04 71.95 Favored 'General case' 0 C--O 1.241 0.646 0 CA-C-O 121.124 0.488 . . . . 0.0 112.114 -177.758 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.603 ' HG3' ' N ' ' B' ' 32' ' ' GLU . 26.0 pttm -60.47 -48.49 81.51 Favored 'General case' 0 N--CA 1.441 -0.88 0 C-N-CA 119.743 -0.783 . . . . 0.0 109.67 -178.47 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.603 ' N ' ' HG3' ' B' ' 31' ' ' LYS . 95.5 mt-10 -62.65 -50.31 71.7 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.412 -178.367 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.456 HD22 HG21 ' B' ' 69' ' ' VAL . 1.6 pp -60.82 -36.11 78.22 Favored 'General case' 0 CA--C 1.5 -0.951 0 C-N-CA 118.798 -1.161 . . . . 0.0 110.138 -179.392 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.503 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 10.4 tptp -56.08 -36.78 68.48 Favored 'General case' 0 N--CA 1.435 -1.189 0 C-N-CA 118.244 -1.383 . . . . 0.0 108.136 178.348 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.848 ' O ' HG23 ' B' ' 39' ' ' THR . 97.1 mt-10 -74.69 -40.92 61.1 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 179.737 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.738 ' O ' HD23 ' B' ' 36' ' ' LEU . 4.0 tt -65.36 -44.81 86.45 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 120.076 -0.65 . . . . 0.0 111.073 -177.351 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.547 ' O ' ' O ' ' B' ' 41' ' ' LEU . 1.4 mm? -65.11 -44.54 88.43 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 119.043 -1.063 . . . . 0.0 111.509 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.503 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 27.3 mt-30 -63.74 -39.07 93.4 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.354 -0.538 . . . . 0.0 111.577 179.673 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.848 HG23 ' O ' ' B' ' 35' ' ' GLU . 63.4 p -72.1 -32.9 67.43 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.644 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -101.23 -59.62 1.67 Allowed 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 -178.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.547 ' O ' ' O ' ' B' ' 37' ' ' LEU . 53.7 mt -99.28 142.25 31.01 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 121.295 0.569 . . . . 0.0 111.331 -178.76 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 70.3 m -108.58 -77.72 0.6 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.572 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 43' ' ' GLY . . . . . 0.463 ' O ' ' HB2' ' B' ' 47' ' ' ALA . . . -56.8 -36.4 72.32 Favored Glycine 0 CA--C 1.531 1.044 0 CA-C-N 115.527 -0.76 . . . . 0.0 114.008 -178.166 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -61.55 -57.02 13.78 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 117.997 0.899 . . . . 0.0 112.737 -177.664 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.572 HD13 ' O ' ' B' ' 45' ' ' LEU . 0.2 OUTLIER -71.11 -39.79 71.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.59 0.709 . . . . 0.0 109.57 -179.778 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -63.32 -29.48 70.79 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 114.754 -1.112 . . . . 0.0 112.66 179.298 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 47' ' ' ALA . . . . . 0.463 ' HB2' ' O ' ' B' ' 43' ' ' GLY . . . -54.99 -29.95 58.28 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -176.49 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 95.1 mm-40 -60.4 -36.87 79.13 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 119.748 -0.781 . . . . 0.0 109.383 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.534 ' O ' ' OD1' ' B' ' 50' ' ' ASP . 94.7 mttt 60.95 38.55 17.45 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 115.444 -0.798 . . . . 0.0 113.049 178.593 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 50' ' ' ASP . . . . . 0.534 ' OD1' ' O ' ' B' ' 49' ' ' LYS . 90.9 m-20 -141.4 149.92 41.7 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.32 178.034 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 6.2 m -72.88 -31.53 36.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.481 179.595 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -87.12 2.76 48.77 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.588 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.459 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -58.63 -38.27 77.71 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.762 -178.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.604 HG13 ' N ' ' B' ' 55' ' ' ASP . 7.2 p -60.15 -44.24 94.78 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 C-N-CA 119.803 -0.759 . . . . 0.0 110.286 179.55 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.604 ' N ' HG13 ' B' ' 54' ' ' VAL . 92.2 m-20 -62.66 -43.92 97.58 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.3 179.371 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.97 -40.39 95.43 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.944 179.382 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.459 HG23 ' O ' ' B' ' 53' ' ' ALA . 69.8 t -65.77 -44.15 93.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.881 -0.6 . . . . 0.0 112.159 -179.274 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -69.01 -33.45 73.66 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 -178.853 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 16.7 mtmm -60.09 -41.23 92.07 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 113.239 0.829 . . . . 0.0 113.239 -178.171 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -72.3 -36.61 68.98 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 119.618 -0.833 . . . . 0.0 110.663 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.474 ' O ' ' CD ' ' B' ' 73' ' ' GLU . 88.8 mt -67.66 -33.67 75.41 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.914 179.609 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.455 ' OD1' ' OD1' ' B' ' 66' ' ' ASP . 51.7 t0 -72.49 86.69 1.17 Allowed 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 119.158 -1.017 . . . . 0.0 111.161 -178.132 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -63.15 -47.22 83.64 Favored 'General case' 0 CA--C 1.506 -0.741 0 CA-C-O 122.407 1.098 . . . . 0.0 110.905 176.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -59.37 -35.52 74.06 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-N 112.835 -1.984 . . . . 0.0 111.335 -179.185 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.55 18.63 70.44 Favored Glycine 0 CA--C 1.52 0.374 0 N-CA-C 108.549 -1.82 . . . . 0.0 108.549 -177.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.523 ' O ' ' OE1' ' B' ' 68' ' ' GLU . 23.3 p-10 -87.09 2.08 50.9 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 -178.4 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 83.88 1.61 89.8 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 178.675 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.523 ' OE1' ' O ' ' B' ' 66' ' ' ASP . 51.2 mp0 -120.68 156.67 31.26 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-O 121.528 0.68 . . . . 0.0 112.191 179.703 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.456 HG21 HD22 ' B' ' 33' ' ' LEU . 49.0 t -105.53 131.63 54.44 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 N-CA-C 107.308 -1.367 . . . . 0.0 107.308 176.686 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.544 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 50.2 t0 -101.06 159.94 14.8 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.117 0.484 . . . . 0.0 111.277 -178.177 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.544 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 1.0 OUTLIER -50.21 -43.44 52.74 Favored 'General case' 0 C--O 1.215 -0.744 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 -178.873 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.419 ' HG2' HG21 ' A' ' 83' ' ' VAL . 94.2 mt-30 -62.11 -41.04 97.83 Favored 'General case' 0 C--O 1.245 0.835 0 C-N-CA 119.908 -0.717 . . . . 0.0 110.98 178.803 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.474 ' CD ' ' O ' ' B' ' 61' ' ' LEU . 87.9 mt-10 -64.63 -41.91 95.85 Favored 'General case' 0 C--O 1.241 0.623 0 CA-C-O 122.302 1.049 . . . . 0.0 109.628 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -63.5 -40.64 97.61 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-N 114.374 -1.285 . . . . 0.0 110.034 178.411 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.644 HG13 ' HB1' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -60.45 -48.37 88.69 Favored 'Isoleucine or valine' 0 C--O 1.248 0.992 0 CA-C-N 113.813 -1.54 . . . . 0.0 109.885 -178.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.46 HG22 ' O ' ' B' ' 73' ' ' GLU . 15.8 m -67.37 -34.53 69.45 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.512 0 C-N-CA 117.798 -1.561 . . . . 0.0 109.218 178.665 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 49.6 tp -56.49 -51.67 67.63 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 119.105 -1.038 . . . . 0.0 112.268 178.39 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 34.6 m -70.31 -34.93 60.47 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.344 0 C-N-CA 118.69 -1.204 . . . . 0.0 111.701 -178.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.715 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . . . -68.1 -47.98 66.72 Favored 'General case' 0 C--O 1.25 1.116 0 C-N-CA 118.969 -1.093 . . . . 0.0 111.53 -179.737 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.39 -39.82 95.56 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.199 179.453 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 5.7 mp -65.02 -34.29 78.08 Favored 'General case' 0 C--O 1.219 -0.505 0 C-N-CA 119.166 -1.014 . . . . 0.0 109.687 176.519 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 31.4 m -62.91 -50.27 71.53 Favored 'General case' 0 C--O 1.246 0.89 0 C-N-CA 119.795 -0.762 . . . . 0.0 111.176 179.764 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.414 HG21 ' HG2' ' A' ' 72' ' ' GLN . 12.8 p -64.09 -39.65 86.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 C-N-CA 118.91 -1.116 . . . . 0.0 111.015 179.226 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.46 ' O ' ' CD2' ' B' ' 88' ' ' PHE . . . -64.88 -34.41 78.32 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 120.282 -0.567 . . . . 0.0 109.79 178.781 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 46.1 t -62.85 -54.85 32.5 Favored 'General case' 0 CA--C 1.509 -0.621 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.574 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 36.9 t30 -56.14 -40.38 73.73 Favored 'General case' 0 C--O 1.239 0.518 0 C-N-CA 118.57 -1.252 . . . . 0.0 108.834 179.024 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 87' ' ' ASN . . . . . 0.654 ' O ' ' HB2' ' B' ' 91' ' ' GLU . 86.4 m-20 -59.63 -42.16 92.1 Favored 'General case' 0 C--O 1.202 -1.425 0 C-N-CA 120.183 -0.607 . . . . 0.0 110.486 178.702 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.533 ' O ' ' O ' ' B' ' 91' ' ' GLU . 75.9 m-85 -67.06 -35.07 79.05 Favored 'General case' 0 C--N 1.31 -1.129 0 C-N-CA 117.217 -1.793 . . . . 0.0 110.588 178.704 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -64.17 -62.03 1.88 Allowed 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 119.689 -0.805 . . . . 0.0 111.78 -178.78 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 90' ' ' TRP . . . . . 0.596 ' CD2' ' OH ' ' A' ' 26' ' ' TYR . 18.8 t-105 -69.98 -43.52 71.28 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.765 0.793 . . . . 0.0 111.544 178.705 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 91' ' ' GLU . . . . . 0.654 ' HB2' ' O ' ' B' ' 87' ' ' ASN . 69.6 mm-40 . . . . . 0 C--N 1.322 -0.589 0 CA-C-N 114.42 -1.264 . . . . 0.0 111.637 -178.769 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.498 ' N ' ' OE1' ' B' ' 40' ' ' GLU . 97.8 mt-10 . . . . . 0 C--O 1.234 0.284 0 CA-C-O 120.573 0.225 . . . . 0.0 111.167 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.742 ' O ' HD23 ' A' ' 4' ' ' LEU . 4.5 tt -61.34 -39.7 91.55 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.456 ' OE1' ' C ' ' A' ' 5' ' ' GLU . 8.0 tm-20 -62.45 -40.51 96.84 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 114.96 -1.018 . . . . 0.0 109.318 179.062 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.8 m -60.08 -39.65 86.82 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 178.698 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.83 -43.46 98.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.078 -0.964 . . . . 0.0 109.851 179.483 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 98.0 mtp -59.59 -41.28 89.91 Favored 'General case' 0 C--O 1.249 1.061 0 CA-C-O 121.971 0.891 . . . . 0.0 109.365 179.098 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -64.81 -36.04 83.05 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.191 178.246 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 48.6 m -64.47 -43.3 94.65 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 119.875 -0.73 . . . . 0.0 110.206 179.547 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 37.9 mt -61.71 -42.82 99.45 Favored 'General case' 0 C--O 1.242 0.664 0 C-N-CA 119.125 -1.03 . . . . 0.0 108.959 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 98.4 mt -62.09 -46.05 97.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 C-N-CA 119.733 -0.787 . . . . 0.0 111.427 178.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -61.71 -41.4 97.56 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 -179.016 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.402 HG21 HD12 ' B' ' 4' ' ' LEU . 14.4 m -73.48 -41.17 56.39 Favored 'Isoleucine or valine' 0 C--O 1.251 1.176 0 C-N-CA 119.326 -0.95 . . . . 0.0 111.583 -179.257 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -60.04 -47.92 83.86 Favored 'General case' 0 CA--C 1.512 -0.514 0 C-N-CA 118.912 -1.115 . . . . 0.0 109.837 177.527 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -63.25 -35.95 82.03 Favored 'General case' 0 CA--C 1.502 -0.893 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.006 178.246 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.582 ' O ' ' HB2' ' A' ' 21' ' ' LYS . . . -57.27 -51.44 69.34 Favored 'General case' 0 N--CA 1.437 -1.116 0 C-N-CA 118.86 -1.136 . . . . 0.0 109.768 -178.824 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.479 ' HB2' HD12 ' A' ' 36' ' ' LEU . 45.4 m80 -78.96 -52.97 7.53 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 114.618 1.34 . . . . 0.0 114.618 -179.69 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.482 ' OG ' ' O ' ' A' ' 25' ' ' LYS . 21.3 t -57.97 -42.97 86.18 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 118.392 -1.323 . . . . 0.0 108.909 -178.778 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.91 -45.96 78.41 Favored Glycine 0 C--N 1.345 1.074 0 O-C-N 124.259 0.975 . . . . 0.0 112.414 178.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.582 ' HB2' ' O ' ' A' ' 17' ' ' ALA . 6.4 ttpm? -59.97 -41.79 92.75 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 -178.717 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.476 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 77.4 mm-40 -128.75 149.4 50.72 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 -179.464 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.82 -132.8 52.39 Favored Glycine 0 CA--C 1.523 0.548 0 CA-C-N 114.986 -1.006 . . . . 0.0 113.442 176.721 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -80.17 125.43 29.82 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-N 114.643 -0.778 . . . . 0.0 109.818 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.482 ' O ' ' OG ' ' A' ' 19' ' ' SER . 33.0 mtmt -58.0 -32.16 67.64 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.346 -0.843 . . . . 0.0 113.087 -177.275 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.608 ' OH ' ' CE2' ' B' ' 90' ' ' TRP . 83.9 m-85 -105.53 18.01 22.92 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 -177.272 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.2 tptt -142.21 139.72 32.09 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 119.719 -0.792 . . . . 0.0 109.254 178.485 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.7 tp -106.82 128.82 54.59 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 -178.048 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 96.6 p -102.36 166.43 10.56 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.559 -0.292 . . . . 0.0 111.088 -178.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.3 ttpt -53.84 -48.27 70.13 Favored 'General case' 0 C--O 1.24 0.567 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -177.683 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.594 ' CG ' ' N ' ' A' ' 32' ' ' GLU . 56.1 pttt -60.38 -48.28 82.42 Favored 'General case' 0 N--CA 1.441 -0.908 0 C-N-CA 119.827 -0.749 . . . . 0.0 109.615 -178.321 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.594 ' N ' ' CG ' ' A' ' 31' ' ' LYS . 95.3 mt-10 -63.08 -50.4 70.72 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.34 -0.845 . . . . 0.0 112.487 -178.294 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.1 -36.05 78.65 Favored 'General case' 0 CA--C 1.5 -0.98 0 C-N-CA 118.465 -1.294 . . . . 0.0 110.138 -179.558 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.2 tptp -56.02 -36.46 67.98 Favored 'General case' 0 N--CA 1.433 -1.308 0 C-N-CA 118.174 -1.41 . . . . 0.0 108.149 178.569 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.889 ' O ' HG23 ' A' ' 39' ' ' THR . 97.3 mt-10 -74.54 -41.18 61.04 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 179.236 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.74 ' O ' HD23 ' A' ' 36' ' ' LEU . 4.2 tt -65.96 -44.97 83.43 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 119.875 -0.73 . . . . 0.0 111.392 -176.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.569 ' O ' ' O ' ' A' ' 41' ' ' LEU . 1.2 mm? -64.41 -43.12 95.4 Favored 'General case' 0 C--O 1.226 -0.175 0 C-N-CA 118.729 -1.189 . . . . 0.0 110.836 179.666 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -62.94 -38.87 92.77 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 120.315 -0.554 . . . . 0.0 111.28 179.27 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.889 HG23 ' O ' ' A' ' 35' ' ' GLU . 57.9 p -71.05 -33.44 70.28 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.507 -0.477 . . . . 0.0 111.556 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.498 ' OE1' ' N ' ' B' ' 3' ' ' GLU . 78.3 mm-40 -102.12 -59.46 1.7 Allowed 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 -179.051 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.569 ' O ' ' O ' ' A' ' 37' ' ' LEU . 42.3 mt -99.22 141.71 31.65 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.363 0.601 . . . . 0.0 111.5 -178.572 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.47 ' OG ' ' N ' ' A' ' 43' ' ' GLY . 27.3 p -114.61 -61.43 1.75 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.491 179.474 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.47 ' N ' ' OG ' ' A' ' 42' ' ' SER . . . -58.86 -39.27 93.72 Favored Glycine 0 CA--C 1.532 1.128 0 CA-C-N 115.86 -0.609 . . . . 0.0 114.017 -178.235 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -61.72 -51.95 66.27 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 117.925 0.862 . . . . 0.0 112.284 -178.155 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -73.32 -40.8 64.18 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 120.157 -0.617 . . . . 0.0 111.034 178.368 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -61.59 -33.56 74.1 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.581 -0.736 . . . . 0.0 112.026 -179.536 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.53 -34.91 71.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.278 -0.419 . . . . 0.0 112.038 -177.577 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.497 ' C ' ' H ' ' A' ' 50' ' ' ASP . 93.9 mm-40 -61.63 -34.37 75.55 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.184 -0.607 . . . . 0.0 109.748 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 49.2 tttp 66.91 -31.11 0.16 Allowed 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.925 179.609 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.497 ' H ' ' C ' ' A' ' 48' ' ' GLN . 88.2 m-20 -70.76 142.65 51.39 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.345 -0.542 . . . . 0.0 111.199 -179.767 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.7 m -72.86 -29.63 30.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.671 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -86.48 5.12 36.77 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.323 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.529 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -57.76 -38.6 75.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.905 -178.79 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.601 HG13 ' N ' ' A' ' 55' ' ' ASP . 7.2 p -59.72 -43.94 92.61 Favored 'Isoleucine or valine' 0 C--O 1.239 0.549 0 C-N-CA 119.848 -0.741 . . . . 0.0 109.97 179.242 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.601 ' N ' HG13 ' A' ' 54' ' ' VAL . 91.5 m-20 -61.66 -43.05 99.6 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.909 179.116 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -61.7 -38.9 89.56 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.301 178.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 53' ' ' ALA . 79.0 t -64.88 -44.47 96.23 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.752 -179.416 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.531 ' CE ' ' O ' ' A' ' 67' ' ' GLY . 0.0 OUTLIER -68.38 -33.11 73.66 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 -178.868 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.62 ' CB ' ' HZ3' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -59.38 -41.6 89.75 Favored 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 -177.597 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -73.3 -37.03 66.36 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 119.681 -0.807 . . . . 0.0 110.987 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.437 ' O ' ' CD ' ' A' ' 73' ' ' GLU . 87.2 mt -67.79 -33.98 75.89 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-N 115.929 -0.578 . . . . 0.0 112.466 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.5 ' OD1' ' OD1' ' A' ' 66' ' ' ASP . 43.8 t0 -75.79 91.82 2.99 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 118.73 -1.188 . . . . 0.0 111.958 -177.612 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 -65.8 -46.29 79.23 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 122.702 1.239 . . . . 0.0 110.914 176.238 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 31.4 m120 -59.18 -34.87 72.63 Favored 'General case' 0 C--N 1.299 -1.616 0 CA-C-N 112.263 -2.244 . . . . 0.0 113.036 -178.08 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.443 ' C ' ' OD2' ' A' ' 62' ' ' ASP . . . 89.42 4.21 74.05 Favored Glycine 0 CA--C 1.529 0.934 0 N-CA-C 108.107 -1.997 . . . . 0.0 108.107 -176.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.65 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 49.3 p30 -61.8 -32.13 72.4 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 114.034 -1.083 . . . . 0.0 112.933 -179.669 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.65 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 98.91 -4.1 59.0 Favored Glycine 0 CA--C 1.521 0.456 0 N-CA-C 109.133 -1.587 . . . . 0.0 109.133 -178.407 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.49 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 54.2 mp0 -112.9 156.48 22.89 Favored 'General case' 0 C--O 1.242 0.683 0 CA-C-N 114.468 -0.866 . . . . 0.0 111.057 178.478 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 53.1 t -104.27 132.37 50.98 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 CA-C-N 115.018 -0.992 . . . . 0.0 108.711 177.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -99.18 159.28 15.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.066 0.46 . . . . 0.0 111.121 -178.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -50.6 -44.34 56.95 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.693 -178.203 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.407 ' HG2' HG21 ' B' ' 83' ' ' VAL . 94.1 mt-30 -61.73 -40.48 95.22 Favored 'General case' 0 C--O 1.244 0.778 0 C-N-CA 119.742 -0.783 . . . . 0.0 110.836 178.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.437 ' CD ' ' O ' ' A' ' 61' ' ' LEU . 92.5 mt-10 -65.03 -41.5 95.19 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-O 122.125 0.964 . . . . 0.0 109.903 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.527 ' OH ' ' CD1' ' B' ' 4' ' ' LEU . 59.3 t80 -63.65 -40.87 97.94 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 114.588 -1.187 . . . . 0.0 109.902 178.766 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.601 HG13 ' HB1' ' B' ' 79' ' ' ALA . 0.5 OUTLIER -61.4 -48.64 87.94 Favored 'Isoleucine or valine' 0 C--O 1.247 0.946 0 CA-C-N 113.77 -1.559 . . . . 0.0 110.258 -179.179 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.408 HG22 ' O ' ' A' ' 73' ' ' GLU . 13.4 m -67.51 -34.42 68.29 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 C-N-CA 118.117 -1.433 . . . . 0.0 109.277 178.846 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 53.9 tp -56.7 -53.04 62.29 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 119.365 -0.934 . . . . 0.0 112.291 178.496 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.486 HG11 HD11 ' B' ' 4' ' ' LEU . 31.9 m -70.24 -35.82 64.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 118.777 -1.169 . . . . 0.0 111.916 -178.754 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.651 ' HB2' ' HB2' ' B' ' 79' ' ' ALA . . . -68.86 -48.36 63.64 Favored 'General case' 0 C--O 1.249 1.079 0 C-N-CA 119.077 -1.049 . . . . 0.0 111.728 -179.503 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.07 -40.22 97.02 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 179.446 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.6 mp -65.39 -33.96 77.19 Favored 'General case' 0 C--O 1.218 -0.569 0 C-N-CA 119.292 -0.963 . . . . 0.0 109.767 176.652 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 39.2 m -63.05 -49.86 72.89 Favored 'General case' 0 C--O 1.245 0.829 0 C-N-CA 119.605 -0.838 . . . . 0.0 111.306 179.719 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.419 HG21 ' HG2' ' B' ' 72' ' ' GLN . 13.3 p -64.12 -39.21 84.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 118.946 -1.102 . . . . 0.0 110.69 178.796 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.45 -29.9 70.63 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 121.052 0.454 . . . . 0.0 109.818 178.703 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 47.6 t -68.38 -54.49 16.91 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.506 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -56.13 -41.26 75.06 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 118.666 -1.214 . . . . 0.0 108.703 178.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -59.73 -38.0 80.47 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.961 178.061 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.528 ' O ' ' O ' ' A' ' 91' ' ' GLU . 67.6 t80 -63.71 -46.27 86.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.282 179.776 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -65.63 -54.25 30.24 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.412 -0.515 . . . . 0.0 112.099 -178.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.61 ' CE2' ' OH ' ' B' ' 26' ' ' TYR . 23.9 t-105 -65.07 -41.27 95.22 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-O 121.218 0.532 . . . . 0.0 112.369 179.81 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.528 ' O ' ' O ' ' A' ' 88' ' ' PHE . 1.3 tm-20 . . . . . 0 C--N 1.323 -0.58 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.961 -177.818 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 3' ' ' GLU . . . . . 0.498 ' N ' ' OE1' ' A' ' 40' ' ' GLU . 97.7 mt-10 . . . . . 0 C--O 1.234 0.261 0 CA-C-O 120.546 0.213 . . . . 0.0 111.153 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.725 ' O ' HD23 ' B' ' 4' ' ' LEU . 4.5 tt -61.32 -39.72 91.54 Favored 'General case' 0 C--O 1.238 0.467 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 5' ' ' GLU . . . . . 0.457 ' C ' ' OE1' ' B' ' 5' ' ' GLU . 8.0 tm-20 -62.41 -40.52 96.79 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 114.935 -1.03 . . . . 0.0 109.314 179.09 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 45.2 m -60.11 -39.58 86.68 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 178.636 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' B' ' 4' ' ' LEU . . . -62.83 -43.4 98.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.92 179.373 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 97.8 mtp -59.64 -41.34 90.3 Favored 'General case' 0 C--O 1.248 0.996 0 CA-C-O 121.906 0.86 . . . . 0.0 109.432 179.016 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -64.69 -36.78 85.38 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.128 178.298 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 45.5 m -63.63 -43.52 96.59 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 119.817 -0.753 . . . . 0.0 110.386 179.329 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 43.8 mt -61.9 -42.66 99.34 Favored 'General case' 0 C--O 1.242 0.673 0 C-N-CA 119.16 -1.016 . . . . 0.0 108.834 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 98.4 mt -61.97 -46.14 97.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 C-N-CA 119.697 -0.801 . . . . 0.0 111.465 178.753 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -61.65 -41.51 97.62 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 -178.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 14.3 m -73.41 -41.19 56.91 Favored 'Isoleucine or valine' 0 C--O 1.252 1.187 0 C-N-CA 119.217 -0.993 . . . . 0.0 111.6 -179.275 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 92.6 t80 -59.94 -47.99 83.53 Favored 'General case' 0 CA--C 1.51 -0.562 0 C-N-CA 118.974 -1.09 . . . . 0.0 109.848 177.511 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -63.31 -35.86 81.76 Favored 'General case' 0 CA--C 1.502 -0.887 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.97 178.252 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.587 ' O ' ' HB2' ' B' ' 21' ' ' LYS . . . -57.26 -51.45 69.3 Favored 'General case' 0 N--CA 1.435 -1.198 0 C-N-CA 118.902 -1.119 . . . . 0.0 109.865 -178.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.481 ' HB2' HD12 ' B' ' 36' ' ' LEU . 45.0 m80 -78.77 -53.17 7.4 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 114.595 1.332 . . . . 0.0 114.595 -179.728 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.486 ' OG ' ' O ' ' B' ' 25' ' ' LYS . 21.1 t -57.96 -42.94 86.02 Favored 'General case' 0 CA--C 1.52 -0.197 0 C-N-CA 118.477 -1.289 . . . . 0.0 108.982 -178.803 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.07 -45.87 78.12 Favored Glycine 0 C--N 1.346 1.088 0 O-C-N 124.23 0.956 . . . . 0.0 112.426 178.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 21' ' ' LYS . . . . . 0.587 ' HB2' ' O ' ' B' ' 17' ' ' ALA . 6.4 ttpm? -60.04 -41.65 92.74 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 -178.775 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.488 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 77.3 mm-40 -128.82 149.49 50.72 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 113.747 1.017 . . . . 0.0 113.747 -179.52 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.7 -132.8 52.14 Favored Glycine 0 CA--C 1.524 0.621 0 CA-C-N 114.952 -1.022 . . . . 0.0 113.346 176.711 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -80.12 125.43 29.8 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 114.629 -0.786 . . . . 0.0 109.862 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.486 ' O ' ' OG ' ' B' ' 19' ' ' SER . 32.9 mtmt -58.07 -32.06 67.67 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.354 -0.839 . . . . 0.0 113.095 -177.222 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.61 ' OH ' ' CE2' ' A' ' 90' ' ' TRP . 84.0 m-85 -105.52 17.97 22.98 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.921 0.712 . . . . 0.0 112.921 -177.323 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 39.7 tptt -142.1 139.87 32.33 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 119.687 -0.805 . . . . 0.0 109.339 178.385 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 17.5 tp -106.95 128.88 54.72 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 -178.094 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 96.4 p -102.45 166.44 10.54 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.064 -178.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 22.3 ttpt -53.82 -48.38 69.96 Favored 'General case' 0 C--O 1.24 0.557 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -177.661 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.6 ' HG3' ' N ' ' B' ' 32' ' ' GLU . 56.0 pttt -60.37 -48.17 82.92 Favored 'General case' 0 N--CA 1.44 -0.929 0 C-N-CA 119.706 -0.798 . . . . 0.0 109.706 -178.354 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.6 ' N ' ' HG3' ' B' ' 31' ' ' LYS . 95.2 mt-10 -63.05 -50.41 70.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.321 -0.854 . . . . 0.0 112.476 -178.374 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.06 -36.09 78.67 Favored 'General case' 0 CA--C 1.499 -1.007 0 C-N-CA 118.448 -1.301 . . . . 0.0 110.142 -179.522 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 13.2 tptp -56.0 -36.45 67.93 Favored 'General case' 0 N--CA 1.434 -1.25 0 C-N-CA 118.208 -1.397 . . . . 0.0 108.085 178.626 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.889 ' O ' HG23 ' B' ' 39' ' ' THR . 97.4 mt-10 -74.59 -41.18 60.93 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 179.336 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.743 ' O ' HD23 ' B' ' 36' ' ' LEU . 4.2 tt -65.91 -44.96 83.67 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 119.866 -0.733 . . . . 0.0 111.475 -176.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.57 ' O ' ' O ' ' B' ' 41' ' ' LEU . 1.2 mm? -64.46 -43.1 95.28 Favored 'General case' 0 CA--C 1.52 -0.196 0 C-N-CA 118.728 -1.189 . . . . 0.0 110.752 179.63 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -63.02 -38.83 92.76 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.357 -0.537 . . . . 0.0 111.206 179.373 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.889 HG23 ' O ' ' B' ' 35' ' ' GLU . 58.8 p -71.06 -33.4 70.23 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.533 -0.467 . . . . 0.0 111.633 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.498 ' OE1' ' N ' ' A' ' 3' ' ' GLU . 78.4 mm-40 -102.21 -59.37 1.71 Allowed 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 -179.07 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.57 ' O ' ' O ' ' B' ' 37' ' ' LEU . 42.6 mt -99.2 141.61 31.75 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.253 0.549 . . . . 0.0 111.594 -178.615 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.473 ' OG ' ' N ' ' B' ' 43' ' ' GLY . 27.5 p -114.57 -61.36 1.76 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.496 179.504 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 43' ' ' GLY . . . . . 0.473 ' N ' ' OG ' ' B' ' 42' ' ' SER . . . -58.91 -39.34 93.91 Favored Glycine 0 CA--C 1.531 1.079 0 CA-C-N 115.872 -0.604 . . . . 0.0 113.983 -178.213 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -61.66 -51.95 66.33 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 117.976 0.888 . . . . 0.0 112.337 -178.162 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -73.27 -40.85 64.26 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 120.155 -0.618 . . . . 0.0 111.042 178.314 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -61.51 -33.59 74.07 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.622 -0.717 . . . . 0.0 112.088 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.48 -34.95 71.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 112.05 -177.585 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.498 ' C ' ' H ' ' B' ' 50' ' ' ASP . 93.9 mm-40 -61.69 -34.32 75.54 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.133 -0.627 . . . . 0.0 109.744 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 49.2 tttp 66.84 -31.03 0.16 Allowed 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.93 179.612 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 50' ' ' ASP . . . . . 0.498 ' H ' ' C ' ' B' ' 48' ' ' GLN . 87.8 m-20 -70.75 142.51 51.41 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.406 -0.518 . . . . 0.0 111.223 -179.816 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 4.7 m -72.75 -29.66 30.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.629 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -86.5 5.13 36.84 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.276 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.53 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -57.71 -38.77 75.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.86 -178.789 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.616 HG13 ' N ' ' B' ' 55' ' ' ASP . 7.0 p -59.65 -43.87 92.22 Favored 'Isoleucine or valine' 0 C--O 1.239 0.538 0 C-N-CA 119.808 -0.757 . . . . 0.0 109.994 179.277 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.616 ' N ' HG13 ' B' ' 54' ' ' VAL . 91.6 m-20 -61.71 -42.98 99.67 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.873 179.131 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -61.68 -38.99 89.84 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.349 178.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.53 HG23 ' O ' ' B' ' 53' ' ' ALA . 79.0 t -64.9 -44.33 96.21 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.832 -179.46 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.53 ' CE ' ' O ' ' B' ' 67' ' ' GLY . 0.0 OUTLIER -68.45 -33.07 73.54 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 113.742 1.016 . . . . 0.0 113.742 -178.947 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 59' ' ' LYS . . . . . 0.606 ' NZ ' ' CB ' ' B' ' 59' ' ' LYS . 0.1 OUTLIER -59.34 -41.7 89.8 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -177.645 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -73.22 -37.02 66.57 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 119.716 -0.794 . . . . 0.0 111.061 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.438 ' O ' ' CD ' ' B' ' 73' ' ' GLU . 87.0 mt -67.72 -34.09 76.16 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 115.897 -0.592 . . . . 0.0 112.446 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.495 ' OD1' ' OD1' ' B' ' 66' ' ' ASP . 43.9 t0 -75.7 91.75 2.93 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 118.734 -1.186 . . . . 0.0 112.041 -177.618 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -65.67 -46.35 79.42 Favored 'General case' 0 CA--C 1.509 -0.634 0 CA-C-O 122.82 1.295 . . . . 0.0 110.99 176.213 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 31.4 m120 -59.18 -34.88 72.65 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-N 112.182 -2.281 . . . . 0.0 113.006 -178.049 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.443 ' C ' ' OD2' ' B' ' 62' ' ' ASP . . . 89.45 4.18 73.98 Favored Glycine 0 CA--C 1.528 0.89 0 N-CA-C 108.18 -1.968 . . . . 0.0 108.18 -176.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.647 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 49.7 p30 -61.73 -32.13 72.34 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 113.958 -1.121 . . . . 0.0 112.919 -179.675 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.647 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 98.85 -4.02 59.08 Favored Glycine 0 CA--C 1.521 0.417 0 N-CA-C 109.185 -1.566 . . . . 0.0 109.185 -178.332 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.521 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 54.2 mp0 -112.98 156.52 22.89 Favored 'General case' 0 C--O 1.243 0.717 0 CA-C-N 114.458 -0.871 . . . . 0.0 111.164 178.456 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 54.2 t -104.36 132.53 50.74 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 CA-C-N 115.08 -0.964 . . . . 0.0 108.626 178.081 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -98.9 159.2 15.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.072 0.463 . . . . 0.0 111.024 -178.799 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -50.71 -44.33 58.02 Favored 'General case' 0 C--O 1.22 -0.485 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.633 -178.473 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.419 ' HG2' HG21 ' A' ' 83' ' ' VAL . 94.1 mt-30 -61.73 -40.51 95.31 Favored 'General case' 0 C--O 1.244 0.791 0 C-N-CA 119.784 -0.766 . . . . 0.0 110.824 178.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.438 ' CD ' ' O ' ' B' ' 61' ' ' LEU . 92.7 mt-10 -64.99 -41.53 95.31 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-O 122.164 0.983 . . . . 0.0 109.931 179.791 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 74' ' ' TYR . . . . . 0.525 ' OH ' ' CD1' ' A' ' 4' ' ' LEU . 59.1 t80 -63.56 -40.98 98.37 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-N 114.518 -1.219 . . . . 0.0 109.913 178.734 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.613 HG13 ' HB1' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -61.47 -48.59 88.13 Favored 'Isoleucine or valine' 0 C--O 1.247 0.961 0 CA-C-N 113.708 -1.587 . . . . 0.0 110.27 -179.154 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.405 HG22 ' O ' ' B' ' 73' ' ' GLU . 13.3 m -67.49 -34.45 68.56 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 C-N-CA 118.093 -1.443 . . . . 0.0 109.241 178.809 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 54.0 tp -56.66 -52.99 62.79 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 119.415 -0.914 . . . . 0.0 112.293 178.543 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.487 HG11 HD11 ' A' ' 4' ' ' LEU . 31.9 m -70.34 -35.71 63.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 C-N-CA 118.832 -1.147 . . . . 0.0 111.945 -178.79 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.651 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . . . -68.96 -48.31 63.5 Favored 'General case' 0 C--O 1.249 1.053 0 C-N-CA 118.983 -1.087 . . . . 0.0 111.718 -179.537 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.09 -40.26 97.14 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 179.489 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 5.5 mp -65.34 -34.01 77.32 Favored 'General case' 0 C--O 1.218 -0.569 0 C-N-CA 119.237 -0.985 . . . . 0.0 109.77 176.616 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 39.3 m -62.98 -49.82 73.18 Favored 'General case' 0 C--O 1.244 0.771 0 C-N-CA 119.633 -0.827 . . . . 0.0 111.298 179.762 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.407 HG21 ' HG2' ' A' ' 72' ' ' GLN . 13.4 p -64.16 -39.23 84.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 C-N-CA 118.976 -1.09 . . . . 0.0 110.693 178.768 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.51 -29.74 70.42 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 121.116 0.484 . . . . 0.0 109.869 178.718 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 47.5 t -68.45 -54.49 16.67 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.554 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -56.16 -41.25 75.15 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 118.669 -1.213 . . . . 0.0 108.699 178.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -59.73 -37.98 80.45 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.955 178.112 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.518 ' O ' ' O ' ' B' ' 91' ' ' GLU . 67.7 t80 -63.81 -46.21 86.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.213 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -65.66 -54.27 29.83 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.431 -0.507 . . . . 0.0 112.028 -178.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 90' ' ' TRP . . . . . 0.608 ' CE2' ' OH ' ' A' ' 26' ' ' TYR . 23.8 t-105 -65.14 -41.19 95.0 Favored 'General case' 0 CA--C 1.52 -0.197 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 91' ' ' GLU . . . . . 0.518 ' O ' ' O ' ' B' ' 88' ' ' PHE . 1.3 tm-20 . . . . . 0 C--N 1.322 -0.611 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.914 -177.812 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 . . . . . 0 C--O 1.237 0.427 0 N-CA-C 113.472 0.916 . . . . 0.0 113.472 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.648 ' O ' HD23 ' A' ' 4' ' ' LEU . 2.1 tt -63.98 -42.43 97.24 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 118.069 -1.453 . . . . 0.0 107.89 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.602 ' OE2' HD22 ' B' ' 41' ' ' LEU . 72.0 mm-40 -66.15 -36.62 83.6 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.673 177.535 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 44.7 m -59.19 -42.07 90.02 Favored 'General case' 0 C--O 1.239 0.527 0 C-N-CA 119.475 -0.89 . . . . 0.0 108.925 179.241 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.31 -45.69 86.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.322 179.082 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 99.4 mtp -59.71 -41.02 89.9 Favored 'General case' 0 C--O 1.244 0.804 0 CA-C-O 121.453 0.644 . . . . 0.0 110.123 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -64.79 -36.62 84.9 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.731 177.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 55.3 m -63.64 -42.21 98.16 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 119.49 -0.884 . . . . 0.0 109.871 178.757 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 38.0 mt -59.55 -43.05 93.66 Favored 'General case' 0 C--O 1.24 0.566 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 98.3 mt -61.86 -45.49 98.58 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.12 0 CA-C-N 115.009 -0.996 . . . . 0.0 111.819 178.784 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -61.39 -41.34 96.95 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.551 0.575 . . . . 0.0 112.551 -178.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 16.0 m -72.81 -38.64 57.91 Favored 'Isoleucine or valine' 0 C--O 1.256 1.426 0 C-N-CA 118.701 -1.2 . . . . 0.0 110.107 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.739 ' HA ' ' CE1' ' A' ' 18' ' ' HIS . 89.1 t80 -60.94 -42.7 98.73 Favored 'General case' 0 C--N 1.349 0.563 0 CA-C-O 122.119 0.961 . . . . 0.0 110.131 177.144 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -67.57 -33.84 75.84 Favored 'General case' 0 N--CA 1.435 -1.219 0 C-N-CA 119.65 -0.82 . . . . 0.0 109.199 177.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.557 ' O ' ' HB2' ' A' ' 21' ' ' LYS . . . -59.63 -51.13 71.15 Favored 'General case' 0 N--CA 1.437 -1.121 0 C-N-CA 118.795 -1.162 . . . . 0.0 111.079 -178.697 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.739 ' CE1' ' HA ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -80.76 -49.11 11.57 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 117.127 -1.829 . . . . 0.0 113.753 179.864 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.49 ' OG ' ' O ' ' A' ' 25' ' ' LYS . 22.9 t -60.86 -41.0 95.06 Favored 'General case' 0 C--N 1.35 0.61 0 C-N-CA 118.318 -1.353 . . . . 0.0 109.542 -179.54 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.21 -45.18 62.56 Favored Glycine 0 C--N 1.343 0.937 0 O-C-N 123.976 0.798 . . . . 0.0 112.086 178.699 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.557 ' HB2' ' O ' ' A' ' 17' ' ' ALA . 6.1 ttpm? -59.43 -41.87 90.55 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.225 -0.59 . . . . 0.0 112.114 -179.399 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.439 ' C ' ' OE2' ' A' ' 32' ' ' GLU . 97.1 mt-10 -129.18 153.29 47.87 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 54.6 -146.05 26.97 Favored Glycine 0 N--CA 1.465 0.573 0 CA-C-N 115.551 -0.749 . . . . 0.0 112.461 177.577 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -71.07 138.04 49.45 Favored 'General case' 0 CA--C 1.52 -0.181 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 179.255 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.49 ' O ' ' OG ' ' A' ' 19' ' ' SER . 34.5 mtmt -61.26 -32.28 72.09 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 -178.269 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.617 ' OH ' ' CD2' ' B' ' 90' ' ' TRP . 97.6 m-85 -107.17 18.82 21.22 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 113.472 0.916 . . . . 0.0 113.472 -177.423 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.6 tptt -140.83 139.63 34.53 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 119.238 -0.985 . . . . 0.0 108.82 177.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.669 HD11 ' CD2' ' A' ' 18' ' ' HIS . 18.5 tp -112.46 132.02 55.27 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 111.979 0.362 . . . . 0.0 111.979 -176.847 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 91.7 p -102.76 164.71 11.47 Favored 'General case' 0 C--O 1.239 0.522 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 179.158 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.0 ttpt -53.51 -45.97 69.91 Favored 'General case' 0 C--O 1.243 0.72 0 CA-C-O 121.346 0.593 . . . . 0.0 111.941 -177.009 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.591 ' HG3' ' N ' ' A' ' 32' ' ' GLU . 55.1 pttt -59.29 -46.77 87.65 Favored 'General case' 0 N--CA 1.438 -1.067 0 C-N-CA 119.779 -0.769 . . . . 0.0 109.909 -178.651 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.591 ' N ' ' HG3' ' A' ' 31' ' ' LYS . 94.0 mt-10 -62.04 -49.23 76.85 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 119.619 -0.833 . . . . 0.0 111.815 -177.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.45 HD22 HG21 ' A' ' 69' ' ' VAL . 0.1 OUTLIER -58.48 -37.57 75.81 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 116.393 -2.123 . . . . 0.0 108.712 178.551 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.2 tptp -53.66 -36.59 62.29 Favored 'General case' 0 N--CA 1.441 -0.924 0 C-N-CA 117.934 -1.506 . . . . 0.0 108.227 -178.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.896 ' O ' HG23 ' A' ' 39' ' ' THR . 97.1 mt-10 -73.02 -43.44 62.1 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 120.093 -0.643 . . . . 0.0 112.289 178.678 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.829 ' O ' HD23 ' A' ' 36' ' ' LEU . 5.5 tt -68.06 -47.76 67.45 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 118.764 -1.174 . . . . 0.0 112.125 -177.587 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.549 ' O ' ' O ' ' A' ' 41' ' ' LEU . 1.8 mm? -59.09 -42.46 90.52 Favored 'General case' 0 CA--C 1.518 -0.251 0 C-N-CA 118.287 -1.365 . . . . 0.0 109.998 -178.656 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -64.53 -39.95 94.72 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.245 -0.582 . . . . 0.0 111.955 178.487 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.896 HG23 ' O ' ' A' ' 35' ' ' GLU . 60.0 p -70.32 -40.81 73.95 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 120.034 -0.666 . . . . 0.0 112.617 -178.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -92.12 -50.88 5.45 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.593 HD22 ' OE2' ' B' ' 5' ' ' GLU . 26.1 mt -103.47 141.77 35.41 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-O 121.289 0.566 . . . . 0.0 112.014 -177.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.1 m -113.35 -65.41 1.19 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.243 178.352 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.15 -38.02 92.54 Favored Glycine 0 CA--C 1.533 1.17 0 CA-C-N 115.457 -0.792 . . . . 0.0 114.121 -178.683 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -59.92 -53.03 62.62 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 118.154 0.977 . . . . 0.0 112.393 -177.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -74.16 -37.23 64.07 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 120.517 -0.473 . . . . 0.0 111.564 178.325 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -59.06 -29.6 67.43 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.503 -179.621 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.21 -29.84 58.77 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.728 -177.586 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.2 mm-40 -92.46 118.42 30.94 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 119.482 -0.887 . . . . 0.0 109.854 179.561 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -63.31 -36.53 83.98 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 113.758 1.021 . . . . 0.0 113.758 -179.028 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -70.38 142.34 52.1 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 -177.431 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.4 m -74.03 -27.34 22.1 Favored 'Isoleucine or valine' 0 C--O 1.231 0.1 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.323 178.519 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -78.73 0.07 28.24 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.488 179.423 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.457 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -56.91 -37.25 71.17 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.262 -0.881 . . . . 0.0 109.994 -179.383 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.605 HG13 ' N ' ' A' ' 55' ' ' ASP . 8.0 p -60.19 -43.04 92.33 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 C-N-CA 119.802 -0.759 . . . . 0.0 109.768 178.72 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.605 ' N ' HG13 ' A' ' 54' ' ' VAL . 22.0 t70 -61.51 -42.39 98.73 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 179.062 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -61.68 -39.49 91.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.762 179.198 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 53' ' ' ALA . 77.1 t -65.68 -45.23 92.63 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 CA-C-N 116.081 -0.508 . . . . 0.0 112.077 -179.47 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.5 ppp? -66.62 -33.38 75.52 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 -177.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 29.1 mmtm -59.31 -39.86 84.39 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 118.871 -1.132 . . . . 0.0 110.423 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -64.08 -38.9 92.75 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.476 178.747 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 63.5 mt -67.89 -35.84 79.19 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-N 115.481 -0.782 . . . . 0.0 112.303 -178.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.487 ' CG ' ' H ' ' A' ' 65' ' ' GLY . 44.1 t0 -72.09 73.83 0.92 Allowed 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 118.414 -1.314 . . . . 0.0 110.577 -178.138 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -63.24 -37.83 88.79 Favored 'General case' 0 CA--C 1.497 -1.077 0 N-CA-C 106.986 -1.487 . . . . 0.0 106.986 175.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.475 ' OD1' ' CG ' ' A' ' 66' ' ' ASP . 18.1 t-20 -58.05 -39.8 79.35 Favored 'General case' 0 N--CA 1.43 -1.461 0 CA-C-N 111.583 -2.553 . . . . 0.0 111.289 178.51 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.487 ' H ' ' CG ' ' A' ' 62' ' ' ASP . . . 79.9 18.9 71.48 Favored Glycine 0 CA--C 1.53 0.99 0 CA-C-N 116.252 -0.431 . . . . 0.0 112.881 178.069 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.512 ' O ' ' OE1' ' A' ' 68' ' ' GLU . 54.9 p30 -89.59 2.29 54.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 117.487 0.644 . . . . 0.0 112.666 -179.543 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 87.68 -2.8 86.22 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.221 -1.152 . . . . 0.0 110.221 179.242 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.512 ' OE1' ' O ' ' A' ' 66' ' ' ASP . 51.5 mp0 -120.5 158.94 26.2 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.842 -0.679 . . . . 0.0 111.338 179.52 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.45 HG21 HD22 ' A' ' 33' ' ' LEU . 48.7 t -104.71 130.14 56.14 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 N-CA-C 106.724 -1.584 . . . . 0.0 106.724 176.34 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -101.84 161.72 13.45 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.226 0.536 . . . . 0.0 111.584 -177.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -50.26 -43.8 53.41 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-N 115.401 -0.818 . . . . 0.0 108.984 -178.559 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -61.76 -40.14 94.07 Favored 'General case' 0 C--O 1.245 0.833 0 C-N-CA 119.83 -0.748 . . . . 0.0 110.686 178.782 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.477 ' O ' HG22 ' A' ' 76' ' ' VAL . 74.2 mt-10 -64.69 -42.44 95.32 Favored 'General case' 0 C--O 1.242 0.705 0 CA-C-O 122.263 1.03 . . . . 0.0 109.85 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -63.12 -41.32 99.32 Favored 'General case' 0 C--O 1.241 0.623 0 CA-C-N 114.653 -1.158 . . . . 0.0 110.321 178.226 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.607 HG13 ' HB1' ' B' ' 79' ' ' ALA . 0.5 OUTLIER -59.94 -47.96 89.64 Favored 'Isoleucine or valine' 0 C--O 1.248 1.01 0 CA-C-N 113.623 -1.626 . . . . 0.0 109.967 -179.163 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.477 HG22 ' O ' ' A' ' 73' ' ' GLU . 15.5 m -67.27 -34.86 71.8 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.573 0 C-N-CA 117.804 -1.559 . . . . 0.0 109.386 178.566 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.572 ' O ' HD13 ' A' ' 81' ' ' LEU . 34.8 tp -56.56 -51.81 67.17 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 118.793 -1.163 . . . . 0.0 111.992 178.276 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 35.5 m -68.84 -36.27 73.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 118.316 -1.354 . . . . 0.0 111.738 -178.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.67 ' HB2' ' HB2' ' B' ' 79' ' ' ALA . . . -68.4 -47.8 66.38 Favored 'General case' 0 C--O 1.248 1.006 0 C-N-CA 119.064 -1.054 . . . . 0.0 111.991 -179.369 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.25 -40.07 96.4 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 179.456 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.572 HD13 ' O ' ' A' ' 77' ' ' LEU . 9.2 mp -64.36 -34.93 79.3 Favored 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 119.231 -0.988 . . . . 0.0 109.684 176.652 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 36.6 m -63.18 -49.84 72.69 Favored 'General case' 0 C--O 1.246 0.88 0 C-N-CA 119.853 -0.739 . . . . 0.0 111.638 179.665 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.43 ' O ' ' OD1' ' A' ' 87' ' ' ASN . 14.5 p -63.1 -39.21 84.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 118.956 -1.097 . . . . 0.0 110.29 178.697 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.44 -30.72 71.54 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 121.035 0.445 . . . . 0.0 110.041 178.631 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 5.5 t -67.13 -54.23 23.23 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.35 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 35.0 t30 -56.07 -41.29 74.89 Favored 'General case' 0 C--O 1.239 0.513 0 C-N-CA 118.703 -1.199 . . . . 0.0 108.777 179.048 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.715 ' O ' ' HB2' ' A' ' 91' ' ' GLU . 25.3 m120 -59.95 -41.69 92.4 Favored 'General case' 0 C--O 1.203 -1.366 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.203 178.374 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.549 ' O ' ' O ' ' A' ' 91' ' ' GLU . 68.0 t80 -64.32 -41.6 96.74 Favored 'General case' 0 C--N 1.302 -1.486 0 C-N-CA 118.214 -1.394 . . . . 0.0 111.096 179.357 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -64.91 -59.83 3.75 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 119.907 -0.717 . . . . 0.0 112.272 -178.342 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.615 ' CD2' ' OH ' ' B' ' 26' ' ' TYR . 21.2 t-105 -68.09 -42.59 80.12 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 119.898 -0.721 . . . . 0.0 111.777 179.184 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.715 ' HB2' ' O ' ' A' ' 87' ' ' ASN . 60.4 mm-40 . . . . . 0 C--N 1.322 -0.621 0 CA-C-N 114.751 -1.113 . . . . 0.0 111.708 -179.068 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 . . . . . 0 C--O 1.238 0.461 0 N-CA-C 113.507 0.928 . . . . 0.0 113.507 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.643 ' O ' HD23 ' B' ' 4' ' ' LEU . 2.1 tt -63.98 -42.47 97.22 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 118.027 -1.469 . . . . 0.0 107.906 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 5' ' ' GLU . . . . . 0.593 ' OE2' HD22 ' A' ' 41' ' ' LEU . 72.1 mm-40 -66.01 -36.65 83.84 Favored 'General case' 0 C--O 1.22 -0.47 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.726 177.434 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 44.2 m -59.29 -41.83 89.86 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 119.469 -0.892 . . . . 0.0 108.888 179.301 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.55 -45.61 86.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.407 179.04 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 99.3 mtp -59.69 -41.02 89.79 Favored 'General case' 0 C--O 1.246 0.889 0 CA-C-O 121.429 0.633 . . . . 0.0 110.21 179.541 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -64.74 -37.32 87.2 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.619 178.01 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 54.0 m -62.84 -42.46 99.75 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 119.456 -0.898 . . . . 0.0 110.042 178.64 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 43.2 mt -59.48 -43.02 93.36 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.647 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 98.3 mt -61.71 -45.55 98.43 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.121 0 CA-C-N 115.006 -0.997 . . . . 0.0 111.796 178.752 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -61.35 -41.44 97.06 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 -178.754 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 16.0 m -72.83 -38.65 57.74 Favored 'Isoleucine or valine' 0 C--O 1.256 1.398 0 C-N-CA 118.723 -1.191 . . . . 0.0 110.112 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.599 ' O ' ' HD2' ' B' ' 18' ' ' HIS . 88.9 t80 -60.83 -42.79 98.41 Favored 'General case' 0 C--N 1.348 0.511 0 CA-C-O 122.192 0.996 . . . . 0.0 110.205 177.034 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -67.56 -33.84 75.86 Favored 'General case' 0 N--CA 1.435 -1.186 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.207 177.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.558 ' O ' ' HB2' ' B' ' 21' ' ' LYS . . . -59.7 -51.04 71.5 Favored 'General case' 0 N--CA 1.435 -1.184 0 C-N-CA 118.82 -1.152 . . . . 0.0 111.118 -178.707 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.599 ' HD2' ' O ' ' B' ' 15' ' ' PHE . 0.5 OUTLIER -80.77 -49.12 11.55 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 117.165 -1.814 . . . . 0.0 113.738 179.859 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.574 ' H ' ' CD2' ' B' ' 18' ' ' HIS . 23.2 t -60.89 -40.97 95.06 Favored 'General case' 0 C--N 1.349 0.586 0 C-N-CA 118.278 -1.369 . . . . 0.0 109.593 -179.552 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.26 -45.14 62.46 Favored Glycine 0 C--N 1.344 0.984 0 CA-C-N 115.524 -0.762 . . . . 0.0 112.037 178.694 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 21' ' ' LYS . . . . . 0.558 ' HB2' ' O ' ' B' ' 17' ' ' ALA . 6.1 ttpm? -59.39 -41.96 90.6 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.214 -0.594 . . . . 0.0 112.074 -179.388 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.44 ' C ' ' OE2' ' B' ' 32' ' ' GLU . 97.2 mt-10 -129.09 153.36 47.72 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 54.45 -145.88 26.6 Favored Glycine 0 N--CA 1.465 0.602 0 CA-C-N 115.607 -0.724 . . . . 0.0 112.458 177.579 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -71.12 138.06 49.37 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 179.375 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.495 ' O ' ' OG ' ' B' ' 19' ' ' SER . 34.6 mtmt -61.36 -32.28 72.18 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -178.296 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.615 ' OH ' ' CD2' ' A' ' 90' ' ' TRP . 97.7 m-85 -107.09 18.76 21.33 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 -177.505 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 31.6 tptt -140.74 139.77 34.72 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 119.238 -0.985 . . . . 0.0 108.991 177.808 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.512 HD22 ' CE1' ' B' ' 18' ' ' HIS . 18.4 tp -112.57 132.0 55.34 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -176.866 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 91.7 p -102.78 164.8 11.42 Favored 'General case' 0 C--O 1.238 0.485 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 179.131 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 20.0 ttpt -53.69 -45.83 70.51 Favored 'General case' 0 C--O 1.243 0.75 0 CA-C-O 121.258 0.552 . . . . 0.0 111.947 -176.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.593 ' HG3' ' N ' ' B' ' 32' ' ' GLU . 55.1 pttt -59.39 -46.74 87.83 Favored 'General case' 0 N--CA 1.439 -1.022 0 C-N-CA 119.737 -0.785 . . . . 0.0 109.848 -178.665 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.593 ' N ' ' HG3' ' B' ' 31' ' ' LYS . 94.0 mt-10 -61.98 -49.24 76.86 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 119.656 -0.818 . . . . 0.0 111.802 -177.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.434 HD22 HG21 ' B' ' 69' ' ' VAL . 0.1 OUTLIER -58.51 -37.57 75.87 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 116.464 -2.094 . . . . 0.0 108.662 178.564 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 13.2 tptp -53.66 -36.62 62.32 Favored 'General case' 0 N--CA 1.441 -0.896 0 C-N-CA 117.944 -1.503 . . . . 0.0 108.227 -178.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.896 ' O ' HG23 ' B' ' 39' ' ' THR . 97.1 mt-10 -73.04 -43.39 62.08 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 120.062 -0.655 . . . . 0.0 112.28 178.692 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.835 ' O ' HD23 ' B' ' 36' ' ' LEU . 5.5 tt -68.15 -47.68 67.4 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 118.678 -1.209 . . . . 0.0 112.16 -177.567 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.55 ' O ' ' O ' ' B' ' 41' ' ' LEU . 1.8 mm? -58.97 -42.52 90.14 Favored 'General case' 0 CA--C 1.518 -0.254 0 C-N-CA 118.3 -1.36 . . . . 0.0 110.052 -178.79 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -64.59 -40.0 94.74 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.274 -0.57 . . . . 0.0 111.9 178.581 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.896 HG23 ' O ' ' B' ' 35' ' ' GLU . 59.5 p -70.25 -40.75 74.24 Favored 'General case' 0 N--CA 1.462 0.163 0 C-N-CA 119.955 -0.698 . . . . 0.0 112.635 -178.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -92.17 -50.86 5.46 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.602 HD22 ' OE2' ' A' ' 5' ' ' GLU . 26.1 mt -103.41 141.68 35.55 Favored 'General case' 0 N--CA 1.461 0.09 0 CA-C-O 121.228 0.537 . . . . 0.0 112.079 -178.036 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.1 m -113.34 -65.33 1.2 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.217 178.322 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.12 -38.08 92.57 Favored Glycine 0 CA--C 1.533 1.191 0 CA-C-N 115.565 -0.743 . . . . 0.0 114.167 -178.681 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -59.91 -53.01 62.9 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 118.071 0.935 . . . . 0.0 112.379 -177.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -74.13 -37.31 64.12 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 120.578 -0.449 . . . . 0.0 111.538 178.305 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -59.07 -29.58 67.43 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.49 -179.585 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.21 -29.81 58.69 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.714 -177.602 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 89.2 mm-40 -92.5 118.41 30.95 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 119.589 -0.844 . . . . 0.0 109.768 179.625 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -63.4 -36.47 83.84 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 113.782 1.031 . . . . 0.0 113.782 -179.047 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -70.43 142.29 52.01 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.727 0.639 . . . . 0.0 112.727 -177.445 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 4.4 m -73.92 -27.38 22.4 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.373 178.519 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -78.68 -0.08 28.66 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.23 -0.895 . . . . 0.0 109.419 179.439 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.447 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -56.79 -37.3 70.93 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.07 -179.413 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.602 HG13 ' N ' ' B' ' 55' ' ' ASP . 7.9 p -60.1 -43.1 92.11 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.298 0 C-N-CA 119.828 -0.749 . . . . 0.0 109.816 178.675 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.602 ' N ' HG13 ' B' ' 54' ' ' VAL . 22.0 t70 -61.57 -42.35 98.72 Favored 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 179.106 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -61.69 -39.52 91.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.845 179.109 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.447 HG23 ' O ' ' B' ' 53' ' ' ALA . 76.6 t -65.63 -45.21 92.86 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 CA-C-N 116.068 -0.515 . . . . 0.0 112.137 -179.574 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 1.5 ppp? -66.59 -33.35 75.47 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 114.66 1.356 . . . . 0.0 114.66 -177.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 29.1 mmtm -59.4 -39.82 84.63 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 118.853 -1.139 . . . . 0.0 110.325 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -64.13 -38.82 92.45 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.116 0.484 . . . . 0.0 110.541 178.718 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 63.6 mt -67.91 -35.89 79.25 Favored 'General case' 0 CA--C 1.511 -0.552 0 CA-C-N 115.503 -0.772 . . . . 0.0 112.265 -178.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.493 ' CG ' ' H ' ' B' ' 65' ' ' GLY . 44.0 t0 -72.11 73.83 0.92 Allowed 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 118.386 -1.326 . . . . 0.0 110.616 -178.163 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -63.16 -37.83 88.76 Favored 'General case' 0 CA--C 1.498 -1.034 0 N-CA-C 107.027 -1.472 . . . . 0.0 107.027 175.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.479 ' OD1' ' OD2' ' B' ' 66' ' ' ASP . 18.1 t-20 -58.12 -39.76 79.51 Favored 'General case' 0 N--CA 1.43 -1.449 0 CA-C-N 111.555 -2.566 . . . . 0.0 111.234 178.532 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.493 ' H ' ' CG ' ' B' ' 62' ' ' ASP . . . 79.93 18.84 71.55 Favored Glycine 0 CA--C 1.53 0.996 0 C-N-CA 121.39 -0.433 . . . . 0.0 112.891 178.101 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.518 ' O ' ' OE1' ' B' ' 68' ' ' GLU . 54.7 p30 -89.59 2.39 54.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 117.499 0.649 . . . . 0.0 112.717 -179.559 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 87.62 -2.8 86.31 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.145 -1.182 . . . . 0.0 110.145 179.185 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.518 ' OE1' ' O ' ' B' ' 66' ' ' ASP . 51.7 mp0 -120.52 159.0 26.07 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.922 -0.639 . . . . 0.0 111.26 179.519 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.434 HG21 HD22 ' B' ' 33' ' ' LEU . 48.7 t -104.71 130.14 56.12 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.657 0 N-CA-C 106.791 -1.559 . . . . 0.0 106.791 176.316 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -101.37 161.63 13.49 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.126 0.488 . . . . 0.0 111.575 -177.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -50.4 -43.78 54.75 Favored 'General case' 0 C--O 1.219 -0.506 0 CA-C-N 115.484 -0.78 . . . . 0.0 108.937 -178.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -61.85 -40.07 94.05 Favored 'General case' 0 C--O 1.244 0.815 0 C-N-CA 119.708 -0.797 . . . . 0.0 110.684 178.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.472 ' O ' HG22 ' B' ' 76' ' ' VAL . 74.3 mt-10 -64.65 -42.42 95.43 Favored 'General case' 0 C--O 1.242 0.684 0 CA-C-O 122.181 0.991 . . . . 0.0 109.843 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -63.09 -41.39 99.38 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-N 114.677 -1.147 . . . . 0.0 110.288 178.268 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.62 HG13 ' HB1' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -59.95 -47.94 89.73 Favored 'Isoleucine or valine' 0 C--O 1.248 1.013 0 CA-C-N 113.645 -1.616 . . . . 0.0 109.886 -179.07 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.472 HG22 ' O ' ' B' ' 73' ' ' GLU . 15.8 m -67.34 -34.79 71.15 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.556 0 C-N-CA 117.836 -1.546 . . . . 0.0 109.357 178.647 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.576 ' O ' HD13 ' B' ' 81' ' ' LEU . 34.5 tp -56.6 -51.89 66.91 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 118.732 -1.187 . . . . 0.0 111.969 178.232 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 35.5 m -68.68 -36.37 74.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 C-N-CA 118.33 -1.348 . . . . 0.0 111.773 -178.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.67 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . . . -68.34 -47.92 66.21 Favored 'General case' 0 C--O 1.249 1.035 0 C-N-CA 119.137 -1.025 . . . . 0.0 111.933 -179.282 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.14 -40.11 96.63 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 179.457 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.576 HD13 ' O ' ' B' ' 77' ' ' LEU . 9.1 mp -64.33 -35.06 79.65 Favored 'General case' 0 N--CA 1.445 -0.708 0 C-N-CA 119.106 -1.038 . . . . 0.0 109.709 176.639 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 36.3 m -62.92 -49.88 73.05 Favored 'General case' 0 C--O 1.246 0.877 0 C-N-CA 119.849 -0.74 . . . . 0.0 111.699 179.696 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.442 ' O ' ' OD1' ' B' ' 87' ' ' ASN . 14.5 p -63.06 -39.27 84.57 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 119.029 -1.069 . . . . 0.0 110.321 178.688 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.48 -30.58 71.38 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-O 121.026 0.441 . . . . 0.0 110.049 178.583 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 5.5 t -67.23 -54.2 23.14 Favored 'General case' 0 CA--C 1.509 -0.623 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.341 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 35.0 t30 -56.09 -41.29 74.96 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 118.747 -1.181 . . . . 0.0 108.824 179.01 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 87' ' ' ASN . . . . . 0.714 ' O ' ' HB2' ' B' ' 91' ' ' GLU . 25.2 m120 -59.87 -41.79 92.3 Favored 'General case' 0 C--O 1.202 -1.443 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.19 178.337 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.559 ' O ' ' O ' ' B' ' 91' ' ' GLU . 67.9 t80 -64.24 -41.63 96.88 Favored 'General case' 0 C--N 1.302 -1.483 0 C-N-CA 118.183 -1.407 . . . . 0.0 111.135 179.35 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -64.95 -59.85 3.7 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 119.92 -0.712 . . . . 0.0 112.202 -178.303 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 90' ' ' TRP . . . . . 0.617 ' CD2' ' OH ' ' A' ' 26' ' ' TYR . 21.1 t-105 -68.09 -42.57 80.16 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 119.935 -0.706 . . . . 0.0 111.816 179.169 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 91' ' ' GLU . . . . . 0.714 ' HB2' ' O ' ' B' ' 87' ' ' ASN . 60.7 mm-40 . . . . . 0 C--N 1.321 -0.671 0 CA-C-N 114.696 -1.138 . . . . 0.0 111.815 -179.132 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 . . . . . 0 N--CA 1.462 0.149 0 N-CA-C 113.585 0.957 . . . . 0.0 113.585 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.598 ' O ' HD23 ' A' ' 4' ' ' LEU . 5.8 tt -64.05 -42.33 97.08 Favored 'General case' 0 C--O 1.244 0.774 0 C-N-CA 118.414 -1.314 . . . . 0.0 108.519 -179.69 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.454 ' OE1' ' C ' ' A' ' 5' ' ' GLU . 6.6 tm-20 -64.4 -40.42 95.75 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 114.643 -1.162 . . . . 0.0 109.57 179.575 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 44.9 m -60.07 -40.31 89.08 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.459 179.016 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.1 -44.43 92.32 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.157 179.632 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 97.7 mtp -58.53 -41.14 84.84 Favored 'General case' 0 C--O 1.25 1.08 0 CA-C-O 121.846 0.831 . . . . 0.0 109.204 178.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -65.2 -35.29 80.6 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.135 -0.939 . . . . 0.0 110.385 178.007 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 47.6 m -64.17 -43.26 95.68 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 119.847 -0.741 . . . . 0.0 110.029 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 40.4 mt -62.43 -42.86 99.76 Favored 'General case' 0 C--O 1.239 0.534 0 C-N-CA 119.378 -0.929 . . . . 0.0 109.092 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.2 -46.53 96.25 Favored 'Isoleucine or valine' 0 C--O 1.232 0.141 0 C-N-CA 119.873 -0.731 . . . . 0.0 111.54 178.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -61.92 -41.47 97.98 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 -178.777 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.1 m -73.72 -40.79 54.5 Favored 'Isoleucine or valine' 0 C--O 1.254 1.305 0 C-N-CA 119.104 -1.038 . . . . 0.0 111.399 -179.309 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -60.36 -47.23 86.96 Favored 'General case' 0 CA--C 1.508 -0.664 0 C-N-CA 119.458 -0.897 . . . . 0.0 109.51 177.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -64.79 -34.94 79.53 Favored 'General case' 0 CA--C 1.503 -0.854 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.218 178.105 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.54 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . -58.05 -52.36 65.86 Favored 'General case' 0 N--CA 1.436 -1.133 0 C-N-CA 118.749 -1.18 . . . . 0.0 110.039 -178.571 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.594 ' HA ' ' HZ1' ' A' ' 21' ' ' LYS . 17.0 m-70 -78.81 -49.03 13.66 Favored 'General case' 0 C--N 1.319 -0.748 0 C-N-CA 118.777 -1.169 . . . . 0.0 113.886 -179.681 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 46.9 t -58.31 -43.14 88.03 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 119.615 -0.834 . . . . 0.0 110.629 -179.111 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -75.35 -44.2 22.87 Favored Glycine 0 CA--C 1.526 0.723 0 C-N-CA 120.778 -0.725 . . . . 0.0 111.757 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.594 ' HZ1' ' HA ' ' A' ' 18' ' ' HIS . 7.2 ttpm? -59.21 -41.51 88.77 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 -178.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.604 ' OE2' ' NZ ' ' A' ' 31' ' ' LYS . 85.1 tt0 -124.32 141.56 51.97 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -177.72 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.48 -142.83 48.49 Favored Glycine 0 C--N 1.335 0.496 0 CA-C-N 114.936 -1.029 . . . . 0.0 112.548 178.145 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -70.3 146.02 50.86 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 115.12 -0.54 . . . . 0.0 109.841 179.52 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.6 mtmm -86.64 149.21 25.07 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 -179.558 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.534 ' OH ' ' CE3' ' B' ' 90' ' ' TRP . 89.2 m-85 61.22 13.39 4.78 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.4 tptt -138.25 131.34 30.04 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 106.327 -1.731 . . . . 0.0 106.327 175.096 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.5 tp -108.82 131.36 55.06 Favored 'General case' 0 C--O 1.213 -0.86 0 C-N-CA 120.312 -0.555 . . . . 0.0 110.327 -176.313 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.8 m -102.6 161.49 13.69 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.4 ttpm? -53.12 -46.88 68.94 Favored 'General case' 0 C--O 1.244 0.779 0 CA-C-O 121.571 0.701 . . . . 0.0 111.823 -177.392 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.604 ' NZ ' ' OE2' ' A' ' 22' ' ' GLU . 15.6 pttp -59.51 -47.18 86.52 Favored 'General case' 0 N--CA 1.437 -1.086 0 CA-C-N 115.318 -0.855 . . . . 0.0 109.961 -178.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.585 ' N ' ' HG3' ' A' ' 31' ' ' LYS . 95.5 mt-10 -63.52 -47.99 79.4 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 115.61 -0.723 . . . . 0.0 112.302 -178.821 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 pp -61.9 -34.18 75.57 Favored 'General case' 0 CA--C 1.499 -0.983 0 C-N-CA 118.472 -1.291 . . . . 0.0 109.855 -179.469 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.489 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 1.2 tptm -54.43 -37.09 64.73 Favored 'General case' 0 N--CA 1.437 -1.09 0 C-N-CA 117.567 -1.653 . . . . 0.0 107.986 177.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.702 ' O ' HG23 ' A' ' 39' ' ' THR . 96.8 mt-10 -75.08 -41.74 58.23 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 179.111 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.727 ' O ' HD23 ' A' ' 36' ' ' LEU . 1.6 tt -64.21 -45.65 87.32 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 120.057 -0.657 . . . . 0.0 111.27 -177.386 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.575 ' O ' ' O ' ' A' ' 41' ' ' LEU . 1.1 mm? -64.7 -43.35 93.77 Favored 'General case' 0 CA--C 1.519 -0.213 0 C-N-CA 119.03 -1.068 . . . . 0.0 111.31 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.489 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 25.8 mt-30 -63.22 -39.03 93.47 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.212 -0.595 . . . . 0.0 111.376 179.786 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.702 HG23 ' O ' ' A' ' 35' ' ' GLU . 76.6 p -72.63 -33.05 66.38 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.45 -0.5 . . . . 0.0 111.857 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -100.23 -59.04 1.78 Allowed 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 -179.178 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.575 ' O ' ' O ' ' A' ' 37' ' ' LEU . 56.4 mt -100.82 141.45 33.68 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.346 0.593 . . . . 0.0 111.763 -178.872 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.2 m -112.24 -63.04 1.48 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.508 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.62 -38.83 92.4 Favored Glycine 0 CA--C 1.531 1.057 0 CA-C-N 115.777 -0.647 . . . . 0.0 114.169 -177.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -61.11 -52.11 66.27 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 118.082 0.941 . . . . 0.0 112.237 -178.108 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -74.08 -40.87 62.46 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 120.274 -0.57 . . . . 0.0 110.958 178.195 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -61.15 -33.75 73.9 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.615 -0.72 . . . . 0.0 112.12 -179.533 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.68 -34.3 71.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 112.014 -177.594 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.526 ' C ' ' H ' ' A' ' 50' ' ' ASP . 94.4 mm-40 -61.43 -34.4 75.33 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 120.153 -0.619 . . . . 0.0 109.874 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 85.4 tttt 65.27 -28.72 0.11 Allowed 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.819 179.551 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.526 ' H ' ' C ' ' A' ' 48' ' ' GLN . 87.8 m-20 -70.64 142.84 51.59 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.524 -0.47 . . . . 0.0 111.171 -179.746 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.7 m -72.57 -29.61 31.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.508 179.733 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -87.74 6.49 34.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.439 179.654 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.452 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -57.51 -39.96 77.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.768 -178.712 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.6 HG13 ' N ' ' A' ' 55' ' ' ASP . 8.1 p -60.45 -43.03 93.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 C-N-CA 119.807 -0.757 . . . . 0.0 110.091 178.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.6 ' N ' HG13 ' A' ' 54' ' ' VAL . 85.8 m-20 -61.15 -43.24 99.18 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.808 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -62.4 -40.04 95.19 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.967 179.291 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 53' ' ' ALA . 72.7 t -67.05 -47.9 80.74 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.215 0 N-CA-C 113.45 0.907 . . . . 0.0 113.45 -178.301 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.486 ' SD ' ' C ' ' A' ' 58' ' ' MET . 1.0 OUTLIER -70.89 -36.49 72.78 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 114.361 1.245 . . . . 0.0 114.361 -178.198 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 29.1 mmtm -60.51 -40.27 90.78 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 119.328 -0.949 . . . . 0.0 111.775 -179.371 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -64.35 -41.3 96.83 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.051 -0.659 . . . . 0.0 110.419 179.254 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.484 HD11 HD22 ' A' ' 77' ' ' LEU . 84.4 mt -68.83 -33.45 73.85 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.06 -0.973 . . . . 0.0 112.859 -179.576 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.479 ' OD1' ' OD1' ' A' ' 66' ' ' ASP . 51.0 t0 -72.72 84.67 1.19 Allowed 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 118.809 -1.156 . . . . 0.0 110.816 -177.887 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -63.14 -46.98 84.69 Favored 'General case' 0 CA--C 1.506 -0.749 0 CA-C-O 122.449 1.118 . . . . 0.0 111.085 177.233 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 31.9 m120 -59.03 -35.43 73.28 Favored 'General case' 0 C--N 1.3 -1.564 0 CA-C-N 112.842 -1.981 . . . . 0.0 111.321 -179.08 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 79.58 20.06 69.7 Favored Glycine 0 CA--C 1.519 0.335 0 N-CA-C 108.376 -1.89 . . . . 0.0 108.376 -177.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.513 ' O ' ' OE1' ' A' ' 68' ' ' GLU . 22.2 p-10 -86.64 1.8 50.61 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 112.675 0.621 . . . . 0.0 112.675 -178.329 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 85.06 -1.1 89.0 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.8 -0.92 . . . . 0.0 110.8 178.617 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.513 ' OE1' ' O ' ' A' ' 66' ' ' ASP . 53.4 mp0 -121.54 156.11 33.56 Favored 'General case' 0 C--O 1.239 0.531 0 CA-C-O 121.864 0.84 . . . . 0.0 111.754 179.48 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.0 t -107.08 132.03 55.54 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.759 0 N-CA-C 106.331 -1.729 . . . . 0.0 106.331 176.567 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.54 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 51.3 t0 -99.61 160.17 14.49 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.223 0.535 . . . . 0.0 111.621 -177.812 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.54 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 1.0 OUTLIER -50.15 -43.93 52.32 Favored 'General case' 0 C--O 1.217 -0.654 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.331 -178.427 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.413 ' HG2' HG21 ' B' ' 83' ' ' VAL . 94.4 mt-30 -61.62 -40.34 94.48 Favored 'General case' 0 C--O 1.247 0.932 0 C-N-CA 119.535 -0.866 . . . . 0.0 110.645 178.713 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.483 ' OE1' ' O ' ' A' ' 61' ' ' LEU . 85.1 mt-10 -64.71 -42.23 95.43 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-O 122.212 1.006 . . . . 0.0 109.925 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -63.64 -40.83 97.85 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-N 114.721 -1.127 . . . . 0.0 109.952 178.648 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.596 HG13 ' HB1' ' B' ' 79' ' ' ALA . 0.5 OUTLIER -60.71 -47.8 91.5 Favored 'Isoleucine or valine' 0 C--O 1.246 0.881 0 CA-C-N 113.872 -1.513 . . . . 0.0 109.842 -178.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.466 HG22 ' O ' ' A' ' 73' ' ' GLU . 15.0 m -67.65 -34.1 65.93 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.506 0 C-N-CA 117.786 -1.565 . . . . 0.0 109.177 178.547 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.484 HD22 HD11 ' A' ' 61' ' ' LEU . 53.1 tp -56.86 -52.29 65.71 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 119.013 -1.075 . . . . 0.0 112.319 178.371 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 35.0 m -70.18 -35.48 63.54 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.29 0 C-N-CA 118.735 -1.186 . . . . 0.0 111.761 -178.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.665 ' HB2' ' HB2' ' B' ' 79' ' ' ALA . . . -68.71 -47.57 66.03 Favored 'General case' 0 C--O 1.247 0.969 0 C-N-CA 119.073 -1.051 . . . . 0.0 111.692 -179.718 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.25 -40.35 97.18 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 179.491 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.8 mp -65.85 -33.88 76.87 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 119.277 -0.969 . . . . 0.0 109.818 176.625 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 40.2 m -62.88 -50.63 70.13 Favored 'General case' 0 C--O 1.245 0.827 0 C-N-CA 119.744 -0.782 . . . . 0.0 111.193 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.413 HG21 ' CG ' ' B' ' 72' ' ' GLN . 13.2 p -64.33 -38.4 82.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 C-N-CA 119.523 -0.871 . . . . 0.0 110.759 178.673 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.48 -31.46 72.55 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-O 121.193 0.521 . . . . 0.0 109.841 178.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 36.7 t -68.67 -55.11 12.51 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.912 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 26.2 t30 -56.56 -41.89 77.66 Favored 'General case' 0 C--O 1.239 0.502 0 C-N-CA 118.607 -1.237 . . . . 0.0 109.016 179.318 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -60.05 -37.9 81.21 Favored 'General case' 0 C--O 1.219 -0.523 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 178.355 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.523 ' O ' ' O ' ' A' ' 91' ' ' GLU . 67.4 t80 -62.36 -45.53 92.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.933 -179.733 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -66.43 -54.83 19.68 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 120.274 -0.571 . . . . 0.0 112.228 -179.186 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.488 ' CD1' ' C ' ' A' ' 90' ' ' TRP . 23.6 t-105 -64.6 -40.86 96.26 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.279 0.562 . . . . 0.0 112.49 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.523 ' O ' ' O ' ' A' ' 88' ' ' PHE . 1.4 tm-20 . . . . . 0 C--N 1.318 -0.788 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.568 -177.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 . . . . . 0 C--O 1.232 0.154 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.588 ' O ' HD23 ' B' ' 4' ' ' LEU . 5.7 tt -63.95 -42.45 97.31 Favored 'General case' 0 C--O 1.243 0.749 0 C-N-CA 118.493 -1.283 . . . . 0.0 108.533 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 5' ' ' GLU . . . . . 0.455 ' C ' ' OE1' ' B' ' 5' ' ' GLU . 6.6 tm-20 -64.41 -40.36 95.62 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 114.596 -1.184 . . . . 0.0 109.602 179.584 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 44.9 m -60.15 -40.17 88.9 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.494 178.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.14 -44.43 92.16 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.123 179.607 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 97.7 mtp -58.63 -41.18 85.38 Favored 'General case' 0 C--O 1.25 1.092 0 CA-C-O 121.844 0.83 . . . . 0.0 109.18 178.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -65.12 -36.17 83.44 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.285 178.086 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 43.7 m -63.01 -43.67 98.13 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 119.944 -0.702 . . . . 0.0 110.23 179.417 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 46.4 mt -62.49 -42.8 99.74 Favored 'General case' 0 C--O 1.238 0.493 0 C-N-CA 119.491 -0.883 . . . . 0.0 109.031 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.06 -46.55 96.22 Favored 'Isoleucine or valine' 0 C--O 1.231 0.127 0 C-N-CA 119.852 -0.739 . . . . 0.0 111.613 178.819 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -61.94 -41.48 98.01 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -178.754 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 17.1 m -73.74 -40.84 54.4 Favored 'Isoleucine or valine' 0 C--O 1.253 1.257 0 C-N-CA 119.037 -1.065 . . . . 0.0 111.391 -179.327 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -60.18 -47.37 86.25 Favored 'General case' 0 CA--C 1.508 -0.663 0 C-N-CA 119.445 -0.902 . . . . 0.0 109.553 177.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -64.69 -34.95 79.51 Favored 'General case' 0 CA--C 1.502 -0.868 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.331 178.128 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.543 ' O ' ' CB ' ' B' ' 21' ' ' LYS . . . -58.03 -52.32 66.01 Favored 'General case' 0 N--CA 1.436 -1.151 0 C-N-CA 118.697 -1.201 . . . . 0.0 110.138 -178.682 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.604 ' HA ' ' HZ1' ' B' ' 21' ' ' LYS . 16.7 m-70 -78.8 -49.14 13.48 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 118.791 -1.163 . . . . 0.0 113.78 -179.684 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 46.9 t -58.25 -43.14 87.72 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 119.55 -0.86 . . . . 0.0 110.725 -179.125 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -75.38 -44.1 22.99 Favored Glycine 0 CA--C 1.527 0.824 0 C-N-CA 120.742 -0.742 . . . . 0.0 111.784 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 21' ' ' LYS . . . . . 0.604 ' HZ1' ' HA ' ' B' ' 18' ' ' HIS . 7.2 ttpm? -59.3 -41.43 88.99 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 -178.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.604 ' OE2' ' NZ ' ' B' ' 31' ' ' LYS . 85.1 tt0 -124.31 141.67 51.89 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 113.172 0.804 . . . . 0.0 113.172 -177.798 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.4 -142.84 48.51 Favored Glycine 0 N--CA 1.464 0.509 0 CA-C-N 114.881 -1.054 . . . . 0.0 112.53 178.107 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -70.27 145.86 51.01 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 115.119 -0.54 . . . . 0.0 109.868 179.562 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 27.6 mtmm -86.45 149.27 25.1 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 -179.592 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.441 ' OH ' ' CE3' ' A' ' 90' ' ' TRP . 88.9 m-85 61.13 13.41 4.7 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.222 0.452 . . . . 0.0 112.222 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 30.0 tptt -138.21 131.61 30.56 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 106.345 -1.724 . . . . 0.0 106.345 175.13 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 14.4 tp -108.99 131.26 55.23 Favored 'General case' 0 C--O 1.213 -0.851 0 C-N-CA 120.327 -0.549 . . . . 0.0 110.439 -176.464 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 71.2 m -102.65 161.47 13.71 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 5.4 ttpm? -53.03 -46.98 68.68 Favored 'General case' 0 C--O 1.245 0.824 0 CA-C-O 121.579 0.704 . . . . 0.0 111.765 -177.343 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.604 ' NZ ' ' OE2' ' B' ' 22' ' ' GLU . 15.6 pttp -59.52 -47.15 86.64 Favored 'General case' 0 N--CA 1.438 -1.057 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.898 -178.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.584 ' N ' ' HG3' ' B' ' 31' ' ' LYS . 95.5 mt-10 -63.51 -47.96 79.54 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.641 -0.708 . . . . 0.0 112.333 -178.838 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 pp -61.9 -34.16 75.54 Favored 'General case' 0 CA--C 1.498 -1.033 0 C-N-CA 118.523 -1.271 . . . . 0.0 109.931 -179.514 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.5 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 1.2 tptm -54.44 -37.14 64.81 Favored 'General case' 0 N--CA 1.437 -1.119 0 C-N-CA 117.65 -1.62 . . . . 0.0 107.938 177.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.705 ' O ' HG23 ' B' ' 39' ' ' THR . 96.9 mt-10 -75.08 -41.75 58.17 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 179.135 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.731 ' O ' HD23 ' B' ' 36' ' ' LEU . 1.7 tt -64.26 -45.59 87.42 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 120.018 -0.673 . . . . 0.0 111.212 -177.356 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.572 ' O ' ' O ' ' B' ' 41' ' ' LEU . 1.1 mm? -64.68 -43.47 93.44 Favored 'General case' 0 N--CA 1.462 0.166 0 C-N-CA 118.978 -1.089 . . . . 0.0 111.297 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.5 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 25.8 mt-30 -63.1 -39.05 93.56 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.144 -0.623 . . . . 0.0 111.491 179.741 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.705 HG23 ' O ' ' B' ' 35' ' ' GLU . 74.5 p -72.57 -33.12 66.54 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.365 -0.534 . . . . 0.0 111.916 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -100.17 -58.94 1.8 Allowed 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 -179.251 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.572 ' O ' ' O ' ' B' ' 37' ' ' LEU . 56.6 mt -100.89 141.42 33.8 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 121.337 0.589 . . . . 0.0 111.774 -178.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.2 m -112.25 -63.12 1.47 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.514 179.642 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.56 -38.88 92.34 Favored Glycine 0 CA--C 1.53 1.005 0 CA-C-N 115.754 -0.657 . . . . 0.0 114.191 -178.021 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -61.09 -52.05 66.54 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 118.099 0.95 . . . . 0.0 112.269 -178.116 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -74.13 -40.74 62.44 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 120.182 -0.607 . . . . 0.0 110.995 178.204 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -61.21 -33.82 74.09 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.622 -0.717 . . . . 0.0 112.01 -179.529 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.6 -34.44 71.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.967 -177.578 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.537 ' C ' ' H ' ' B' ' 50' ' ' ASP . 94.4 mm-40 -61.42 -34.43 75.37 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.191 -0.604 . . . . 0.0 109.782 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 85.4 tttt 65.28 -28.8 0.11 Allowed 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.87 179.611 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 50' ' ' ASP . . . . . 0.537 ' H ' ' C ' ' B' ' 48' ' ' GLN . 87.8 m-20 -70.56 142.82 51.74 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.422 -0.511 . . . . 0.0 111.26 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 4.7 m -72.55 -29.66 31.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.456 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -87.69 6.54 34.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.414 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.447 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -57.62 -39.94 78.05 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.72 -178.679 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.604 HG13 ' N ' ' B' ' 55' ' ' ASP . 8.1 p -60.47 -43.03 93.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 C-N-CA 119.867 -0.733 . . . . 0.0 110.071 179.001 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.604 ' N ' HG13 ' B' ' 54' ' ' VAL . 85.7 m-20 -61.08 -43.33 99.05 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.551 -0.749 . . . . 0.0 109.765 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -62.51 -39.83 94.79 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.964 179.434 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.447 HG23 ' O ' ' B' ' 53' ' ' ALA . 72.7 t -67.13 -47.84 80.57 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.27 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -178.334 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.485 ' C ' ' SD ' ' B' ' 58' ' ' MET . 1.0 OUTLIER -70.95 -36.39 72.56 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 114.364 1.246 . . . . 0.0 114.364 -178.229 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 29.2 mmtm -60.59 -40.27 91.15 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 119.372 -0.931 . . . . 0.0 111.778 -179.343 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -64.32 -41.35 96.87 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.041 -0.663 . . . . 0.0 110.499 179.17 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.504 HD11 HD22 ' B' ' 77' ' ' LEU . 84.4 mt -68.73 -33.46 73.96 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.095 -0.957 . . . . 0.0 112.927 -179.701 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.479 ' OD1' ' OD1' ' B' ' 66' ' ' ASP . 51.0 t0 -72.74 84.65 1.19 Allowed 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 118.783 -1.167 . . . . 0.0 110.86 -177.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -63.08 -47.02 84.66 Favored 'General case' 0 CA--C 1.505 -0.759 0 CA-C-O 122.491 1.139 . . . . 0.0 111.127 177.214 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 32.0 m120 -58.93 -35.5 73.21 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-N 112.813 -1.994 . . . . 0.0 111.354 -179.173 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 79.57 20.04 69.76 Favored Glycine 0 CA--C 1.519 0.34 0 N-CA-C 108.404 -1.878 . . . . 0.0 108.404 -177.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.522 ' O ' ' OE1' ' B' ' 68' ' ' GLU . 22.2 p-10 -86.52 1.76 50.42 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -178.399 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 85.15 -1.31 88.78 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.807 -0.917 . . . . 0.0 110.807 178.66 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.522 ' OE1' ' O ' ' B' ' 66' ' ' ASP . 53.4 mp0 -121.48 156.21 33.27 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-O 121.953 0.882 . . . . 0.0 111.726 179.465 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 35.7 t -107.06 131.98 55.64 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.753 0 N-CA-C 106.412 -1.699 . . . . 0.0 106.412 176.593 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.547 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 50.0 t0 -99.05 160.08 14.51 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.077 0.465 . . . . 0.0 111.668 -177.788 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.547 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 1.0 OUTLIER -50.32 -43.93 54.05 Favored 'General case' 0 C--O 1.217 -0.651 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.233 -178.775 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.413 ' CG ' HG21 ' A' ' 83' ' ' VAL . 94.4 mt-30 -61.57 -40.5 94.95 Favored 'General case' 0 C--O 1.246 0.907 0 C-N-CA 119.617 -0.833 . . . . 0.0 110.599 178.74 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.484 ' OE1' ' O ' ' B' ' 61' ' ' LEU . 85.2 mt-10 -64.67 -42.2 95.54 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-O 122.176 0.989 . . . . 0.0 109.9 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -63.69 -40.6 97.21 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 114.72 -1.127 . . . . 0.0 110.081 178.605 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.609 HG13 ' HB1' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -60.86 -47.82 91.64 Favored 'Isoleucine or valine' 0 C--O 1.246 0.915 0 CA-C-N 113.792 -1.549 . . . . 0.0 109.813 -179.036 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.463 HG22 ' O ' ' B' ' 73' ' ' GLU . 14.9 m -67.59 -34.1 66.13 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.529 0 C-N-CA 117.805 -1.558 . . . . 0.0 109.218 178.522 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.504 HD22 HD11 ' B' ' 61' ' ' LEU . 53.0 tp -56.89 -52.19 66.14 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 119.064 -1.054 . . . . 0.0 112.341 178.406 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 35.0 m -70.35 -35.34 62.06 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.262 0 C-N-CA 118.735 -1.186 . . . . 0.0 111.686 -178.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.665 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . . . -68.9 -47.45 65.8 Favored 'General case' 0 C--O 1.247 0.933 0 C-N-CA 119.005 -1.078 . . . . 0.0 111.641 -179.659 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.38 -40.24 96.69 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 5.7 mp -65.76 -33.98 77.11 Favored 'General case' 0 C--O 1.22 -0.458 0 C-N-CA 119.265 -0.974 . . . . 0.0 109.876 176.522 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 39.5 m -62.79 -50.66 70.15 Favored 'General case' 0 C--O 1.244 0.785 0 C-N-CA 119.763 -0.775 . . . . 0.0 111.145 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.413 HG21 ' HG2' ' A' ' 72' ' ' GLN . 13.3 p -64.35 -38.5 82.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.575 0 C-N-CA 119.526 -0.87 . . . . 0.0 110.714 178.729 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.27 -31.48 72.65 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 121.229 0.537 . . . . 0.0 109.96 178.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 36.8 t -68.73 -55.19 12.15 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.887 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -56.5 -41.88 77.43 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 118.646 -1.221 . . . . 0.0 109.08 179.262 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -60.03 -37.98 81.35 Favored 'General case' 0 C--O 1.219 -0.521 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 178.309 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.525 ' O ' ' O ' ' B' ' 91' ' ' GLU . 67.4 t80 -62.31 -45.65 92.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.869 -179.699 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -66.34 -54.92 18.94 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 120.298 -0.561 . . . . 0.0 112.167 -179.125 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 90' ' ' TRP . . . . . 0.534 ' CE3' ' OH ' ' A' ' 26' ' ' TYR . 23.5 t-105 -64.53 -40.99 96.63 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.318 0.58 . . . . 0.0 112.501 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 91' ' ' GLU . . . . . 0.525 ' O ' ' O ' ' B' ' 88' ' ' PHE . 1.4 tm-20 . . . . . 0 C--N 1.318 -0.773 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.553 -177.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 . . . . . 0 C--O 1.237 0.438 0 N-CA-C 113.484 0.92 . . . . 0.0 113.484 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.646 ' O ' HD23 ' A' ' 4' ' ' LEU . 2.1 tt -63.42 -42.52 98.73 Favored 'General case' 0 C--O 1.24 0.569 0 C-N-CA 117.976 -1.49 . . . . 0.0 108.032 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.604 ' OE2' HD22 ' B' ' 41' ' ' LEU . 72.1 mm-40 -66.16 -36.85 84.19 Favored 'General case' 0 C--O 1.219 -0.513 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.92 177.499 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 44.4 m -59.0 -42.04 89.13 Favored 'General case' 0 C--O 1.24 0.557 0 C-N-CA 119.432 -0.907 . . . . 0.0 108.877 179.285 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.29 -46.08 85.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.312 179.189 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 99.4 mtp -59.68 -40.95 89.53 Favored 'General case' 0 C--O 1.245 0.868 0 CA-C-O 121.401 0.62 . . . . 0.0 110.322 179.679 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.83 -36.6 84.85 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.711 177.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 58.7 m -63.78 -42.23 97.79 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 119.448 -0.901 . . . . 0.0 110.026 178.793 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 38.2 mt -59.34 -43.14 92.8 Favored 'General case' 0 C--O 1.239 0.53 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 179.647 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 98.0 mt -61.79 -45.59 98.36 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.112 0 CA-C-N 114.873 -1.058 . . . . 0.0 111.84 178.731 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -61.33 -41.41 96.98 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -178.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.4 m -72.79 -38.98 58.87 Favored 'Isoleucine or valine' 0 C--O 1.255 1.378 0 C-N-CA 118.831 -1.148 . . . . 0.0 110.413 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.601 ' O ' ' HD2' ' A' ' 18' ' ' HIS . 88.8 t80 -60.76 -42.44 97.46 Favored 'General case' 0 C--N 1.348 0.539 0 C-N-CA 119.184 -1.007 . . . . 0.0 109.873 177.063 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -67.62 -33.89 75.89 Favored 'General case' 0 C--N 1.309 -1.179 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.185 178.024 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.57 ' O ' ' HB2' ' A' ' 21' ' ' LYS . . . -59.88 -50.77 72.46 Favored 'General case' 0 N--CA 1.437 -1.109 0 C-N-CA 118.834 -1.146 . . . . 0.0 111.056 -178.677 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.601 ' HD2' ' O ' ' A' ' 15' ' ' PHE . 0.5 OUTLIER -80.74 -49.21 11.45 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 117.177 -1.809 . . . . 0.0 113.7 179.909 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.563 ' H ' ' CD2' ' A' ' 18' ' ' HIS . 22.9 t -60.58 -41.17 94.11 Favored 'General case' 0 C--N 1.352 0.702 0 C-N-CA 118.454 -1.298 . . . . 0.0 109.473 -179.707 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -70.0 -43.92 63.28 Favored Glycine 0 C--N 1.343 0.948 0 CA-C-N 115.518 -0.764 . . . . 0.0 112.15 178.758 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.57 ' HB2' ' O ' ' A' ' 17' ' ' ALA . 5.8 ttpm? -59.04 -42.25 89.81 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 119.978 -0.689 . . . . 0.0 111.619 -179.581 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.432 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 97.1 mt-10 -129.46 151.77 49.73 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 112.824 0.676 . . . . 0.0 112.824 179.37 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.08 -148.98 31.7 Favored Glycine 0 CA--C 1.523 0.565 0 CA-C-N 115.707 -0.679 . . . . 0.0 112.305 177.649 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -70.9 139.91 50.88 Favored 'General case' 0 C--O 1.234 0.252 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 179.185 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.487 ' O ' ' OG ' ' A' ' 19' ' ' SER . 36.4 mtmt -60.96 -31.75 71.3 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.141 -178.447 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.612 ' OH ' ' CD2' ' B' ' 90' ' ' TRP . 98.2 m-85 -106.5 19.57 20.3 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 -177.46 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.8 tptt -138.47 138.12 37.8 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 119.105 -1.038 . . . . 0.0 108.814 178.65 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.506 HD11 ' ND1' ' A' ' 18' ' ' HIS . 18.4 tp -112.37 131.66 55.42 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.345 -0.542 . . . . 0.0 111.522 -177.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.4 t -103.21 159.98 15.06 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.744 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.1 ttpt -52.1 -44.12 64.27 Favored 'General case' 0 C--O 1.239 0.542 0 C-N-CA 120.227 -0.589 . . . . 0.0 111.122 -178.169 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.584 ' CG ' ' N ' ' A' ' 32' ' ' GLU . 56.4 pttt -58.89 -46.79 87.0 Favored 'General case' 0 N--CA 1.438 -1.04 0 C-N-CA 119.901 -0.72 . . . . 0.0 109.471 -178.749 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.584 ' N ' ' CG ' ' A' ' 31' ' ' LYS . 92.4 mt-10 -62.68 -50.17 72.21 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 119.826 -0.75 . . . . 0.0 112.0 -177.749 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.13 -37.08 76.37 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 116.806 -1.958 . . . . 0.0 109.11 178.84 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.474 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 0.8 OUTLIER -53.56 -36.59 62.03 Favored 'General case' 0 N--CA 1.44 -0.948 0 C-N-CA 118.192 -1.403 . . . . 0.0 108.039 -179.531 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.891 ' O ' HG23 ' A' ' 39' ' ' THR . 97.0 mt-10 -74.1 -43.61 56.98 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 178.612 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.826 ' O ' HD23 ' A' ' 36' ' ' LEU . 5.4 tt -67.91 -48.0 67.2 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 118.728 -1.189 . . . . 0.0 112.425 -177.116 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.54 ' O ' ' O ' ' A' ' 41' ' ' LEU . 1.5 mm? -59.36 -42.32 91.31 Favored 'General case' 0 CA--C 1.518 -0.283 0 C-N-CA 118.264 -1.375 . . . . 0.0 109.998 -178.776 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.474 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 25.6 mt-30 -64.62 -39.94 94.61 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.421 -0.512 . . . . 0.0 111.768 179.007 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.891 HG23 ' O ' ' A' ' 35' ' ' GLU . 59.3 p -71.04 -41.15 71.17 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -179.049 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -91.44 -49.63 6.23 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 120.494 -0.482 . . . . 0.0 112.249 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.595 HD22 ' OE2' ' B' ' 5' ' ' GLU . 28.7 mt -103.71 141.69 35.63 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 121.184 0.516 . . . . 0.0 111.997 -178.325 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.1 m -113.66 -65.45 1.18 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.029 178.337 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.78 -38.29 91.8 Favored Glycine 0 CA--C 1.532 1.138 0 CA-C-N 115.537 -0.756 . . . . 0.0 114.136 -178.759 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -60.44 -53.34 58.76 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 118.113 0.956 . . . . 0.0 112.379 -177.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -74.08 -38.88 63.78 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 120.429 -0.508 . . . . 0.0 111.094 178.072 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -59.6 -30.2 68.51 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.14 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.13 -31.43 61.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.122 -177.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -95.84 115.76 27.91 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 119.561 -0.856 . . . . 0.0 109.067 178.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -63.22 -39.13 93.74 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 114.004 1.112 . . . . 0.0 114.004 -178.67 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -69.69 142.53 53.34 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.041 0.756 . . . . 0.0 113.041 -177.027 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.561 ' O ' HG12 ' A' ' 54' ' ' VAL . 4.8 m -72.23 -27.67 27.23 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.201 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 177.429 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -61.06 -23.55 65.54 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 114.06 -1.427 . . . . 0.0 109.146 178.072 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.408 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -51.91 -37.56 52.95 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.735 -177.828 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.561 HG12 ' O ' ' A' ' 51' ' ' VAL . 10.8 p -59.97 -43.26 92.01 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 C-N-CA 119.303 -0.959 . . . . 0.0 109.8 178.318 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.559 ' N ' HG13 ' A' ' 54' ' ' VAL . 91.3 m-20 -61.29 -42.37 98.54 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 120.134 -0.627 . . . . 0.0 109.344 179.123 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 41.6 mttp -60.76 -38.98 87.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.211 179.344 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 53' ' ' ALA . 78.1 t -66.4 -46.1 87.63 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.455 0 CA-C-N 115.932 -0.576 . . . . 0.0 112.515 -179.347 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -72.42 -34.95 68.21 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 114.996 1.48 . . . . 0.0 114.996 -178.421 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.9 mmtm -59.95 -39.65 86.32 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 119.636 -0.826 . . . . 0.0 112.953 -178.552 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -70.09 -35.33 74.1 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 119.335 -0.946 . . . . 0.0 109.854 179.503 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 63' ' ' GLU . 91.3 mt -67.42 -35.45 79.29 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-N 115.754 -0.657 . . . . 0.0 112.113 179.478 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.425 ' CG ' ' H ' ' A' ' 65' ' ' GLY . 45.1 t0 -71.32 73.85 0.71 Allowed 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 118.34 -1.344 . . . . 0.0 109.945 -179.084 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 61' ' ' LEU . 87.7 tt0 -63.54 -38.09 89.79 Favored 'General case' 0 CA--C 1.498 -1.053 0 CA-C-O 123.072 1.415 . . . . 0.0 107.35 176.539 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.485 ' OD1' ' OD2' ' A' ' 66' ' ' ASP . 16.7 t-20 -57.98 -39.64 78.69 Favored 'General case' 0 N--CA 1.429 -1.503 0 CA-C-N 111.607 -2.542 . . . . 0.0 111.331 178.713 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.425 ' H ' ' CG ' ' A' ' 62' ' ' ASP . . . 79.76 19.06 71.5 Favored Glycine 0 CA--C 1.53 0.987 0 C-N-CA 121.345 -0.455 . . . . 0.0 112.749 178.103 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.51 ' O ' ' OE1' ' A' ' 68' ' ' GLU . 54.8 p30 -89.15 2.12 54.63 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -179.61 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 87.52 -3.65 86.28 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 110.146 -1.182 . . . . 0.0 110.146 179.249 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.51 ' OE1' ' O ' ' A' ' 66' ' ' ASP . 53.3 mp0 -120.54 159.95 24.17 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.959 -0.62 . . . . 0.0 110.635 179.459 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.427 ' HA ' ' OE1' ' A' ' 73' ' ' GLU . 61.9 t -105.58 130.9 56.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 106.477 -1.675 . . . . 0.0 106.477 176.346 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.497 ' C ' ' OD1' ' A' ' 70' ' ' ASP . 17.2 p30 -101.45 170.66 8.06 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 119.279 -0.968 . . . . 0.0 110.246 -178.016 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -53.63 -44.45 69.53 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.962 -178.647 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -61.58 -39.98 93.12 Favored 'General case' 0 C--O 1.246 0.89 0 C-N-CA 120.054 -0.658 . . . . 0.0 111.204 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.475 ' O ' HG22 ' A' ' 76' ' ' VAL . 67.5 mt-10 -64.26 -42.84 96.28 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-O 122.06 0.933 . . . . 0.0 110.097 179.46 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -63.93 -40.64 96.92 Favored 'General case' 0 C--O 1.24 0.587 0 CA-C-O 122.34 1.067 . . . . 0.0 110.356 178.113 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.609 HG13 ' HB1' ' B' ' 79' ' ' ALA . 0.5 OUTLIER -59.65 -48.09 88.72 Favored 'Isoleucine or valine' 0 C--O 1.249 1.043 0 CA-C-N 113.82 -1.536 . . . . 0.0 109.537 -179.081 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.475 HG22 ' O ' ' A' ' 73' ' ' GLU . 15.4 m -68.04 -33.96 64.08 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 C-N-CA 117.967 -1.493 . . . . 0.0 109.38 178.408 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 45.0 tp -55.47 -52.91 62.07 Favored 'General case' 0 C--O 1.238 0.483 0 C-N-CA 118.902 -1.119 . . . . 0.0 112.021 178.195 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 34.6 m -69.83 -35.46 65.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 118.661 -1.216 . . . . 0.0 111.683 -178.82 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.671 ' HB2' ' HB2' ' B' ' 79' ' ' ALA . . . -67.75 -47.49 69.1 Favored 'General case' 0 C--O 1.248 1.003 0 C-N-CA 118.89 -1.124 . . . . 0.0 111.68 -179.511 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.91 -39.57 94.49 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 179.367 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.3 mp -64.85 -34.0 77.34 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 119.062 -1.055 . . . . 0.0 109.521 176.417 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 41.3 m -63.46 -49.82 72.16 Favored 'General case' 0 C--O 1.244 0.792 0 C-N-CA 120.01 -0.676 . . . . 0.0 111.503 179.277 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 14.5 p -63.31 -39.3 84.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 118.89 -1.124 . . . . 0.0 110.338 178.818 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.14 -31.4 72.58 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-O 121.117 0.485 . . . . 0.0 109.903 178.489 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 44.7 t -66.18 -54.57 23.69 Favored 'General case' 0 CA--C 1.51 -0.574 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.438 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -56.41 -41.02 75.65 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 118.729 -1.188 . . . . 0.0 108.782 179.106 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.683 ' O ' ' HB2' ' A' ' 91' ' ' GLU . 87.1 m-20 -59.05 -41.35 87.66 Favored 'General case' 0 C--O 1.202 -1.403 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.563 178.315 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.558 ' O ' ' O ' ' A' ' 91' ' ' GLU . 67.7 t80 -64.13 -41.08 97.36 Favored 'General case' 0 C--N 1.303 -1.429 0 C-N-CA 118.318 -1.353 . . . . 0.0 110.872 178.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -64.44 -60.55 3.02 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 120.005 -0.678 . . . . 0.0 112.294 -178.278 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.604 ' CD2' ' OH ' ' B' ' 26' ' ' TYR . 19.1 t-105 -68.63 -44.1 74.92 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 119.774 -0.77 . . . . 0.0 111.386 179.051 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.683 ' HB2' ' O ' ' A' ' 87' ' ' ASN . 59.1 mm-40 . . . . . 0 C--N 1.321 -0.636 0 CA-C-N 114.697 -1.138 . . . . 0.0 111.506 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 . . . . . 0 C--O 1.237 0.428 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.643 ' O ' HD23 ' B' ' 4' ' ' LEU . 2.1 tt -63.48 -42.54 98.57 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 117.895 -1.522 . . . . 0.0 107.953 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 5' ' ' GLU . . . . . 0.595 ' OE2' HD22 ' A' ' 41' ' ' LEU . 72.1 mm-40 -66.18 -36.88 84.26 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.838 177.558 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 46.2 m -58.95 -41.9 88.55 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 119.465 -0.894 . . . . 0.0 108.891 179.301 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.41 -46.06 84.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.304 179.145 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 99.4 mtp -59.81 -40.92 90.04 Favored 'General case' 0 C--O 1.246 0.903 0 CA-C-O 121.336 0.588 . . . . 0.0 110.263 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.66 -37.48 87.72 Favored 'General case' 0 CA--C 1.511 -0.557 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.619 177.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 57.5 m -62.91 -42.44 99.79 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 119.445 -0.902 . . . . 0.0 110.19 178.642 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 43.7 mt -59.36 -43.13 92.85 Favored 'General case' 0 C--O 1.24 0.554 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 179.589 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.9 mt -61.76 -45.54 98.47 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 CA-C-N 114.856 -1.065 . . . . 0.0 111.817 178.76 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -61.36 -41.38 96.98 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -178.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 15.5 m -72.78 -39.01 59.09 Favored 'Isoleucine or valine' 0 C--O 1.256 1.401 0 C-N-CA 118.774 -1.17 . . . . 0.0 110.344 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.607 ' O ' ' HD2' ' B' ' 18' ' ' HIS . 88.9 t80 -60.74 -42.55 97.57 Favored 'General case' 0 C--N 1.347 0.484 0 CA-C-O 122.199 0.999 . . . . 0.0 109.895 177.136 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -67.47 -33.92 76.1 Favored 'General case' 0 N--CA 1.436 -1.161 0 CA-C-N 115.351 -0.841 . . . . 0.0 109.225 177.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.565 ' O ' ' HB2' ' B' ' 21' ' ' LYS . . . -59.95 -50.7 72.74 Favored 'General case' 0 N--CA 1.436 -1.145 0 C-N-CA 118.831 -1.147 . . . . 0.0 111.041 -178.631 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.607 ' HD2' ' O ' ' B' ' 15' ' ' PHE . 0.5 OUTLIER -80.82 -49.18 11.41 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 117.15 -1.82 . . . . 0.0 113.62 179.919 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.574 ' H ' ' CD2' ' B' ' 18' ' ' HIS . 22.8 t -60.66 -41.1 94.34 Favored 'General case' 0 C--N 1.351 0.672 0 C-N-CA 118.472 -1.291 . . . . 0.0 109.482 -179.662 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.96 -44.03 63.13 Favored Glycine 0 C--N 1.342 0.889 0 CA-C-N 115.53 -0.759 . . . . 0.0 112.08 178.739 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 21' ' ' LYS . . . . . 0.565 ' HB2' ' O ' ' B' ' 17' ' ' ALA . 5.8 ttpm? -58.99 -42.31 89.69 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.012 -0.675 . . . . 0.0 111.576 -179.542 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.443 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 97.1 mt-10 -129.52 151.82 49.73 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 179.355 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.02 -148.86 31.67 Favored Glycine 0 CA--C 1.523 0.537 0 CA-C-N 115.704 -0.68 . . . . 0.0 112.326 177.72 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -70.95 139.83 50.74 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.193 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.479 ' O ' ' OG ' ' B' ' 19' ' ' SER . 36.3 mtmt -60.97 -31.7 71.27 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.171 -178.448 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.604 ' OH ' ' CD2' ' A' ' 90' ' ' TRP . 98.2 m-85 -106.42 19.57 20.3 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 -177.536 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 12.9 tptt -138.48 138.26 37.92 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 119.089 -1.044 . . . . 0.0 108.799 178.613 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.491 HD11 ' ND1' ' B' ' 18' ' ' HIS . 18.3 tp -112.45 131.59 55.49 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.345 -0.542 . . . . 0.0 111.543 -178.021 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 48.4 t -103.24 160.08 14.98 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.655 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 21.1 ttpt -52.12 -44.23 64.36 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 120.168 -0.613 . . . . 0.0 111.123 -178.129 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.607 ' HG3' ' N ' ' B' ' 32' ' ' GLU . 56.4 pttt -58.89 -46.74 87.13 Favored 'General case' 0 N--CA 1.438 -1.052 0 C-N-CA 119.733 -0.787 . . . . 0.0 109.522 -178.739 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.607 ' N ' ' HG3' ' B' ' 31' ' ' LYS . 92.3 mt-10 -62.52 -50.27 72.05 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 119.776 -0.769 . . . . 0.0 112.0 -177.858 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.04 -37.14 76.28 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 116.824 -1.951 . . . . 0.0 109.121 178.878 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.474 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 0.8 OUTLIER -53.63 -36.42 62.02 Favored 'General case' 0 N--CA 1.439 -1.016 0 C-N-CA 118.223 -1.391 . . . . 0.0 108.036 -179.406 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.898 ' O ' HG23 ' B' ' 39' ' ' THR . 97.1 mt-10 -74.32 -43.46 56.62 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 178.688 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.83 ' O ' HD23 ' B' ' 36' ' ' LEU . 5.4 tt -67.94 -47.96 67.21 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 118.842 -1.143 . . . . 0.0 112.422 -177.09 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.538 ' O ' ' O ' ' B' ' 41' ' ' LEU . 1.5 mm? -59.43 -42.22 91.38 Favored 'General case' 0 CA--C 1.517 -0.309 0 C-N-CA 118.258 -1.377 . . . . 0.0 110.03 -178.803 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.474 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 25.5 mt-30 -64.72 -39.85 94.34 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.403 -0.519 . . . . 0.0 111.767 178.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.898 HG23 ' O ' ' B' ' 35' ' ' GLU . 61.0 p -71.17 -41.18 70.72 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 112.821 0.675 . . . . 0.0 112.821 -178.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -91.32 -49.59 6.27 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.604 HD22 ' OE2' ' A' ' 5' ' ' GLU . 28.6 mt -103.82 141.55 35.92 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 121.179 0.514 . . . . 0.0 111.984 -178.223 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.1 m -113.55 -65.37 1.19 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.119 178.339 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.78 -38.34 91.9 Favored Glycine 0 CA--C 1.532 1.097 0 CA-C-N 115.545 -0.752 . . . . 0.0 114.051 -178.782 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -60.51 -53.33 58.86 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 118.148 0.974 . . . . 0.0 112.316 -177.782 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -74.15 -38.76 63.65 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.133 178.042 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 58.6 t0 -59.66 -30.22 68.6 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.118 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.14 -31.36 61.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.137 -177.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -95.94 115.68 27.8 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 119.528 -0.869 . . . . 0.0 109.073 178.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -63.1 -39.24 94.11 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 -178.62 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -69.63 142.54 53.45 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 113.04 0.756 . . . . 0.0 113.04 -177.018 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 51' ' ' VAL . . . . . 0.558 ' O ' HG12 ' B' ' 54' ' ' VAL . 4.8 m -72.21 -27.65 27.24 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.228 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 177.406 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -61.04 -23.61 65.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 114.056 -1.429 . . . . 0.0 109.074 178.151 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.423 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -51.85 -37.67 52.91 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.721 -177.824 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.558 HG12 ' O ' ' B' ' 51' ' ' VAL . 10.7 p -59.92 -43.28 91.87 Favored 'Isoleucine or valine' 0 C--O 1.239 0.508 0 C-N-CA 119.308 -0.957 . . . . 0.0 109.742 178.331 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.554 ' N ' HG13 ' B' ' 54' ' ' VAL . 91.6 m-20 -61.35 -42.34 98.53 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 120.147 -0.621 . . . . 0.0 109.397 179.208 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 41.7 mttp -60.79 -39.01 87.25 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.211 179.31 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.423 HG23 ' O ' ' B' ' 53' ' ' ALA . 78.8 t -66.26 -46.08 88.2 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.461 0 CA-C-N 115.903 -0.59 . . . . 0.0 112.542 -179.374 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -72.52 -34.97 67.96 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 115.014 1.487 . . . . 0.0 115.014 -178.379 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 28.9 mmtm -59.96 -39.64 86.29 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 119.701 -0.8 . . . . 0.0 112.844 -178.469 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -70.16 -35.22 73.85 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 119.264 -0.974 . . . . 0.0 109.825 179.522 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' B' ' 63' ' ' GLU . 91.0 mt -67.46 -35.45 79.21 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-N 115.837 -0.62 . . . . 0.0 112.139 179.458 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.416 ' CG ' ' H ' ' B' ' 65' ' ' GLY . 45.2 t0 -71.36 73.96 0.72 Allowed 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 118.344 -1.342 . . . . 0.0 109.841 -179.028 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 63' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' B' ' 61' ' ' LEU . 87.5 tt0 -63.63 -38.18 90.16 Favored 'General case' 0 CA--C 1.497 -1.083 0 CA-C-O 123.123 1.439 . . . . 0.0 107.309 176.566 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.483 ' OD1' ' CG ' ' B' ' 66' ' ' ASP . 16.8 t-20 -57.84 -39.67 78.25 Favored 'General case' 0 N--CA 1.429 -1.489 0 CA-C-N 111.573 -2.558 . . . . 0.0 111.364 178.664 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.416 ' H ' ' CG ' ' B' ' 62' ' ' ASP . . . 79.61 19.27 71.42 Favored Glycine 0 CA--C 1.53 0.998 0 CA-C-N 116.307 -0.406 . . . . 0.0 112.709 178.122 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.504 ' O ' ' OE1' ' B' ' 68' ' ' GLU . 54.9 p30 -89.21 2.23 54.54 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 87.53 -3.69 86.26 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.056 -1.218 . . . . 0.0 110.056 179.198 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.504 ' OE1' ' O ' ' B' ' 66' ' ' ASP . 53.3 mp0 -120.52 159.89 24.28 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.037 -0.582 . . . . 0.0 110.691 179.445 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.425 ' HA ' ' OE1' ' B' ' 73' ' ' GLU . 61.6 t -105.49 130.92 56.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 106.576 -1.639 . . . . 0.0 106.576 176.339 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.509 ' OD1' ' C ' ' B' ' 70' ' ' ASP . 17.4 p30 -101.47 170.52 8.15 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 119.322 -0.951 . . . . 0.0 110.442 -178.132 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -53.53 -44.52 69.24 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.901 -178.613 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -61.54 -39.96 92.96 Favored 'General case' 0 C--O 1.243 0.738 0 C-N-CA 119.965 -0.694 . . . . 0.0 111.306 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.469 ' O ' HG22 ' B' ' 76' ' ' VAL . 67.6 mt-10 -64.33 -42.89 96.05 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 122.026 0.917 . . . . 0.0 109.991 179.469 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -63.92 -40.59 96.84 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-O 122.383 1.087 . . . . 0.0 110.407 178.122 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.625 HG13 ' HB1' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -59.65 -48.02 88.97 Favored 'Isoleucine or valine' 0 C--O 1.249 1.04 0 CA-C-N 113.764 -1.562 . . . . 0.0 109.625 -179.168 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.469 HG22 ' O ' ' B' ' 73' ' ' GLU . 15.6 m -68.04 -34.02 64.45 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 C-N-CA 118.058 -1.457 . . . . 0.0 109.339 178.416 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 45.4 tp -55.42 -52.94 61.92 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 118.897 -1.121 . . . . 0.0 112.058 178.188 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 34.6 m -69.77 -35.48 65.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 C-N-CA 118.59 -1.244 . . . . 0.0 111.734 -178.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.671 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . . . -67.72 -47.59 68.92 Favored 'General case' 0 C--O 1.247 0.965 0 C-N-CA 118.927 -1.109 . . . . 0.0 111.647 -179.498 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.75 -39.6 94.66 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.227 179.312 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 5.1 mp -64.8 -34.25 77.9 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 119.092 -1.043 . . . . 0.0 109.459 176.423 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 42.0 m -63.36 -49.78 72.51 Favored 'General case' 0 C--O 1.244 0.778 0 C-N-CA 119.982 -0.687 . . . . 0.0 111.435 179.502 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 14.5 p -63.33 -39.25 84.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 118.845 -1.142 . . . . 0.0 110.386 178.774 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.17 -31.4 72.57 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-O 121.068 0.461 . . . . 0.0 109.876 178.448 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 44.0 t -66.18 -54.63 22.9 Favored 'General case' 0 CA--C 1.508 -0.637 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.457 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -56.39 -40.96 75.47 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 118.742 -1.183 . . . . 0.0 108.77 179.117 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 87' ' ' ASN . . . . . 0.679 ' O ' ' HB2' ' B' ' 91' ' ' GLU . 87.3 m-20 -59.14 -41.27 87.89 Favored 'General case' 0 C--O 1.203 -1.394 0 C-N-CA 120.244 -0.582 . . . . 0.0 109.589 178.377 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.541 ' O ' ' O ' ' B' ' 91' ' ' GLU . 67.9 t80 -64.28 -40.86 96.83 Favored 'General case' 0 C--N 1.304 -1.396 0 C-N-CA 118.315 -1.354 . . . . 0.0 110.934 178.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -64.62 -60.59 2.95 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 120.019 -0.672 . . . . 0.0 112.185 -178.337 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 90' ' ' TRP . . . . . 0.612 ' CD2' ' OH ' ' A' ' 26' ' ' TYR . 19.3 t-105 -68.55 -44.14 75.16 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 119.847 -0.741 . . . . 0.0 111.362 179.096 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 91' ' ' GLU . . . . . 0.679 ' HB2' ' O ' ' B' ' 87' ' ' ASN . 59.0 mm-40 . . . . . 0 C--N 1.321 -0.663 0 CA-C-N 114.617 -1.174 . . . . 0.0 111.435 -179.627 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 . . . . . 0 C--O 1.233 0.23 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.667 ' O ' HD23 ' A' ' 4' ' ' LEU . 5.3 tt -64.13 -42.85 96.65 Favored 'General case' 0 C--O 1.241 0.607 0 C-N-CA 119.695 -0.802 . . . . 0.0 109.263 -179.265 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.456 ' OE1' ' C ' ' A' ' 5' ' ' GLU . 7.5 tm-20 -64.35 -40.04 95.08 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.362 179.472 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 46.1 m -60.25 -40.21 89.51 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 178.755 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.45 -44.07 95.55 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.133 179.49 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 97.7 mtp -58.96 -41.29 87.16 Favored 'General case' 0 C--O 1.247 0.958 0 CA-C-O 121.728 0.775 . . . . 0.0 109.43 178.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -64.91 -35.42 81.1 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.115 178.166 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 48.5 m -64.11 -43.76 94.34 Favored 'General case' 0 N--CA 1.446 -0.633 0 C-N-CA 119.872 -0.731 . . . . 0.0 110.154 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 40.1 mt -62.41 -43.34 99.04 Favored 'General case' 0 C--O 1.242 0.675 0 C-N-CA 119.417 -0.913 . . . . 0.0 109.297 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 98.9 mt -61.94 -46.73 95.86 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 C-N-CA 119.834 -0.746 . . . . 0.0 111.3 179.05 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -61.45 -41.86 97.86 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 -178.705 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.6 m -73.95 -41.8 53.05 Favored 'Isoleucine or valine' 0 C--O 1.257 1.448 0 C-N-CA 119.082 -1.047 . . . . 0.0 111.956 -179.138 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -60.47 -47.62 85.33 Favored 'General case' 0 CA--C 1.508 -0.648 0 C-N-CA 119.022 -1.071 . . . . 0.0 109.549 178.216 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -64.17 -35.14 79.8 Favored 'General case' 0 CA--C 1.501 -0.91 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.155 178.153 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.552 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . -57.29 -52.59 64.73 Favored 'General case' 0 N--CA 1.437 -1.119 0 C-N-CA 118.737 -1.185 . . . . 0.0 110.085 -178.571 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.535 ' HA ' ' HZ1' ' A' ' 21' ' ' LYS . 28.9 m80 -78.89 -49.76 12.34 Favored 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 118.381 -1.327 . . . . 0.0 114.047 -179.509 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 40.4 t -57.72 -42.1 83.11 Favored 'General case' 0 CA--C 1.516 -0.345 0 C-N-CA 119.424 -0.911 . . . . 0.0 110.754 -178.644 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -77.88 -43.27 14.7 Favored Glycine 0 CA--C 1.527 0.808 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.017 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.552 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 7.3 ttpm? -58.75 -42.25 88.45 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 113.415 0.894 . . . . 0.0 113.415 -179.193 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.528 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 85.3 tt0 -126.97 141.58 51.76 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 112.891 0.7 . . . . 0.0 112.891 -178.247 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.88 -150.77 52.16 Favored Glycine 0 C--N 1.335 0.475 0 CA-C-N 115.273 -0.876 . . . . 0.0 112.228 177.675 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -68.56 146.35 53.17 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.028 -0.586 . . . . 0.0 109.529 179.184 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.3 mtmm -85.48 151.81 23.67 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 -179.365 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.596 ' OH ' ' CE3' ' B' ' 90' ' ' TRP . 93.3 m-85 61.34 10.59 3.17 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.517 ' NZ ' ' OD2' ' A' ' 66' ' ' ASP . 23.6 tptt -138.14 132.03 31.34 Favored 'General case' 0 C--O 1.236 0.353 0 N-CA-C 105.386 -2.079 . . . . 0.0 105.386 175.071 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.3 tp -110.8 122.96 49.13 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.265 -176.123 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.471 ' HA ' ' OE1' ' A' ' 68' ' ' GLU . 81.9 p -86.57 165.86 15.87 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 120.901 -0.32 . . . . 0.0 111.188 -179.54 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.0 ttpm? -56.8 -48.16 78.57 Favored 'General case' 0 C--O 1.243 0.74 0 CA-C-O 121.384 0.612 . . . . 0.0 112.274 -178.311 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.585 ' HG3' ' N ' ' A' ' 32' ' ' GLU . 24.3 pttm -60.84 -47.12 87.8 Favored 'General case' 0 N--CA 1.441 -0.919 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.634 -178.525 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.585 ' N ' ' HG3' ' A' ' 31' ' ' LYS . 97.1 mt-10 -62.23 -47.78 82.9 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.481 -0.781 . . . . 0.0 112.244 -178.868 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.428 HD22 HG21 ' A' ' 69' ' ' VAL . 0.8 OUTLIER -61.66 -34.94 76.59 Favored 'General case' 0 CA--C 1.502 -0.891 0 C-N-CA 117.999 -1.48 . . . . 0.0 109.311 179.518 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.525 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 1.8 tptm -55.22 -37.03 66.61 Favored 'General case' 0 N--CA 1.44 -0.933 0 C-N-CA 118.179 -1.408 . . . . 0.0 108.189 178.087 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.84 ' O ' HG23 ' A' ' 39' ' ' THR . 96.9 mt-10 -74.12 -41.45 61.58 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 112.984 0.735 . . . . 0.0 112.984 179.54 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.732 ' O ' HD23 ' A' ' 36' ' ' LEU . 3.0 tt -65.01 -45.25 86.33 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 120.02 -0.672 . . . . 0.0 111.169 -177.391 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.569 ' O ' ' O ' ' A' ' 41' ' ' LEU . 0.9 OUTLIER -65.0 -44.09 90.4 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 119.328 -0.949 . . . . 0.0 111.311 179.884 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.525 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 25.5 mt-30 -63.58 -39.12 93.57 Favored 'General case' 0 CA--C 1.519 -0.216 0 C-N-CA 120.349 -0.54 . . . . 0.0 111.514 179.66 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.84 HG23 ' O ' ' A' ' 35' ' ' GLU . 62.5 p -71.46 -32.85 68.79 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.499 -0.48 . . . . 0.0 111.116 179.709 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -101.75 -60.01 1.6 Allowed 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 113.383 0.882 . . . . 0.0 113.383 -179.033 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.569 ' O ' ' O ' ' A' ' 37' ' ' LEU . 54.3 mt -99.07 141.55 31.69 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 121.267 0.556 . . . . 0.0 111.535 -179.063 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.9 t -113.41 -59.26 2.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.507 179.463 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.11 -39.5 92.25 Favored Glycine 0 CA--C 1.532 1.121 0 CA-C-N 116.152 -0.477 . . . . 0.0 114.162 -177.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -63.08 -54.4 38.59 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 118.067 0.933 . . . . 0.0 112.706 -178.095 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -73.97 -37.87 64.35 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 120.526 -0.47 . . . . 0.0 112.105 178.85 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -59.32 -29.33 67.56 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.136 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.98 -31.75 61.05 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.512 -177.796 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 81.3 mm-40 -96.81 118.88 34.22 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 119.391 -0.924 . . . . 0.0 109.197 179.021 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 69.1 tttt -63.18 -40.18 96.79 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 114.179 1.177 . . . . 0.0 114.179 -178.456 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -71.37 142.51 50.36 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 113.125 0.787 . . . . 0.0 113.125 -177.3 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.522 ' O ' HG12 ' A' ' 54' ' ' VAL . 4.9 m -72.13 -28.56 29.81 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.111 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 177.562 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -60.54 -25.39 66.11 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 114.3 -1.318 . . . . 0.0 108.987 177.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.6 -37.61 50.79 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 114.693 -1.14 . . . . 0.0 110.848 -177.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.569 HG13 ' N ' ' A' ' 55' ' ' ASP . 8.2 p -60.42 -42.43 91.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 119.273 -0.971 . . . . 0.0 109.653 178.478 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.569 ' N ' HG13 ' A' ' 54' ' ' VAL . 56.1 t0 -61.79 -41.63 97.98 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 179.037 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 48.1 mttm -60.67 -39.75 89.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.523 179.459 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 69.9 t -65.77 -45.86 90.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 C-N-CA 120.545 -0.462 . . . . 0.0 111.192 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.1 ppp? -69.7 -33.81 73.04 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 114.289 1.218 . . . . 0.0 114.289 -178.625 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.7 mtmt -59.18 -40.58 86.14 Favored 'General case' 0 CA--C 1.521 -0.169 0 C-N-CA 119.015 -1.074 . . . . 0.0 111.373 -179.288 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -64.24 -39.95 95.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.36 0.6 . . . . 0.0 110.676 178.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.482 HD11 HD22 ' A' ' 77' ' ' LEU . 80.5 mt -68.33 -34.45 76.14 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.153 -0.93 . . . . 0.0 112.987 -179.168 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.536 ' OD2' ' N ' ' A' ' 67' ' ' GLY . 47.8 t0 -73.38 82.78 1.42 Allowed 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 118.42 -1.312 . . . . 0.0 111.413 -177.814 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -67.18 -46.41 74.04 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 122.653 1.216 . . . . 0.0 112.257 177.15 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 31.8 m120 -57.27 -34.88 69.11 Favored 'General case' 0 C--N 1.299 -1.605 0 CA-C-N 112.38 -2.191 . . . . 0.0 113.259 -177.086 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 89.27 4.17 74.56 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 108.121 -1.992 . . . . 0.0 108.121 -177.167 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.655 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 46.5 p30 -62.23 -30.59 71.2 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 114.132 -1.034 . . . . 0.0 111.411 179.546 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.655 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 100.3 -5.73 57.55 Favored Glycine 0 CA--C 1.52 0.38 0 N-CA-C 110.65 -0.98 . . . . 0.0 110.65 -179.597 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.474 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 29.1 mm-40 -122.62 165.97 15.61 Favored 'General case' 0 C--O 1.242 0.67 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 178.05 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.428 HG21 HD22 ' A' ' 33' ' ' LEU . 38.4 t -98.65 132.25 44.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 178.88 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -96.17 159.28 15.04 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.239 0.542 . . . . 0.0 111.64 -178.485 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -50.52 -45.06 56.45 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.799 -178.145 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.405 ' HG2' HG21 ' B' ' 83' ' ' VAL . 94.2 mt-30 -61.51 -39.97 92.91 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 119.777 -0.769 . . . . 0.0 110.63 178.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.442 ' CD ' ' O ' ' A' ' 61' ' ' LEU . 94.0 mt-10 -65.27 -42.15 93.52 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 121.976 0.893 . . . . 0.0 110.325 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -63.85 -40.37 96.42 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-O 122.256 1.027 . . . . 0.0 109.548 178.515 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.596 HG13 ' HB1' ' B' ' 79' ' ' ALA . 0.5 OUTLIER -60.84 -48.12 90.28 Favored 'Isoleucine or valine' 0 C--O 1.245 0.865 0 CA-C-N 113.78 -1.555 . . . . 0.0 110.397 -179.287 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.409 HG22 ' O ' ' A' ' 73' ' ' GLU . 12.8 m -68.06 -34.05 64.57 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 C-N-CA 118.063 -1.455 . . . . 0.0 109.249 178.825 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.482 HD22 HD11 ' A' ' 61' ' ' LEU . 51.2 tp -56.55 -52.58 64.26 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 119.049 -1.06 . . . . 0.0 111.925 178.312 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.437 ' O ' ' OG1' ' A' ' 82' ' ' THR . 33.9 m -69.69 -36.62 71.15 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 C-N-CA 118.607 -1.237 . . . . 0.0 111.921 -178.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.633 ' HB2' ' HB2' ' B' ' 79' ' ' ALA . . . -68.43 -48.05 65.61 Favored 'General case' 0 C--O 1.249 1.067 0 C-N-CA 119.084 -1.046 . . . . 0.0 111.855 -179.359 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.3 -40.58 97.75 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 179.492 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.0 mp -65.47 -33.51 76.1 Favored 'General case' 0 C--O 1.219 -0.535 0 C-N-CA 119.224 -0.991 . . . . 0.0 109.8 176.629 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 34.4 m -63.05 -51.47 66.58 Favored 'General case' 0 C--O 1.249 1.066 0 C-N-CA 119.737 -0.785 . . . . 0.0 111.299 179.766 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.431 HG22 HD21 ' A' ' 87' ' ' ASN . 14.0 p -63.25 -39.08 83.92 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 119.428 -0.909 . . . . 0.0 110.718 178.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.513 ' O ' ' CD2' ' A' ' 88' ' ' PHE . . . -65.17 -34.98 79.66 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 120.486 -0.485 . . . . 0.0 109.849 178.834 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 31.0 t -62.87 -55.96 21.56 Favored 'General case' 0 CA--C 1.507 -0.677 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.89 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.423 HD21 ' C ' ' A' ' 86' ' ' ASN . 0.4 OUTLIER -57.32 -39.28 75.51 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 118.299 -1.361 . . . . 0.0 108.956 178.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.431 HD21 HG22 ' A' ' 83' ' ' VAL . 86.3 m-20 -59.27 -40.22 85.39 Favored 'General case' 0 C--N 1.338 0.086 0 C-N-CA 120.464 -0.495 . . . . 0.0 110.943 179.217 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.537 ' O ' ' O ' ' A' ' 91' ' ' GLU . 61.1 m-85 -67.57 -39.99 84.89 Favored 'General case' 0 CA--C 1.52 -0.175 0 C-N-CA 119.781 -0.768 . . . . 0.0 111.059 178.664 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -62.53 -52.45 63.4 Favored 'General case' 0 C--N 1.33 -0.283 0 C-N-CA 119.691 -0.804 . . . . 0.0 111.255 -179.248 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.602 ' CE3' ' OH ' ' B' ' 26' ' ' TYR . 23.1 t-105 -67.55 -39.94 84.98 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 121.16 0.505 . . . . 0.0 112.306 178.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.537 ' O ' ' O ' ' A' ' 88' ' ' PHE . 4.6 tm-20 . . . . . 0 C--N 1.321 -0.653 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.929 -176.691 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 . . . . . 0 C--O 1.234 0.241 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.66 ' O ' HD23 ' B' ' 4' ' ' LEU . 5.3 tt -64.14 -42.92 96.59 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-O 121.8 0.81 . . . . 0.0 109.229 -179.204 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 5' ' ' GLU . . . . . 0.448 ' C ' ' OE1' ' B' ' 5' ' ' GLU . 7.5 tm-20 -64.37 -39.98 94.92 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.381 179.477 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 45.4 m -60.23 -40.14 89.17 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 178.674 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.5 -43.97 95.66 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.142 179.442 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 97.7 mtp -59.05 -41.31 87.58 Favored 'General case' 0 C--O 1.248 0.982 0 CA-C-O 121.778 0.799 . . . . 0.0 109.501 178.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -64.83 -36.24 83.69 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.956 178.281 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 46.5 m -63.25 -44.08 96.2 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 119.962 -0.695 . . . . 0.0 110.314 179.513 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 45.2 mt -62.42 -43.22 99.34 Favored 'General case' 0 C--O 1.241 0.615 0 C-N-CA 119.434 -0.906 . . . . 0.0 109.338 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 98.9 mt -61.88 -46.68 95.97 Favored 'Isoleucine or valine' 0 C--O 1.232 0.143 0 C-N-CA 119.796 -0.762 . . . . 0.0 111.335 178.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -61.5 -41.93 98.03 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 -178.68 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 14.5 m -73.88 -41.87 53.55 Favored 'Isoleucine or valine' 0 C--O 1.257 1.468 0 C-N-CA 119.2 -1.0 . . . . 0.0 111.908 -179.083 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -60.49 -47.62 85.34 Favored 'General case' 0 CA--C 1.508 -0.656 0 C-N-CA 119.008 -1.077 . . . . 0.0 109.529 178.2 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -64.25 -35.06 79.6 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.07 178.233 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.549 ' O ' ' CB ' ' B' ' 21' ' ' LYS . . . -57.36 -52.6 64.72 Favored 'General case' 0 N--CA 1.436 -1.163 0 C-N-CA 118.764 -1.174 . . . . 0.0 110.009 -178.542 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.513 ' HA ' ' HZ1' ' B' ' 21' ' ' LYS . 28.7 m80 -78.68 -49.81 12.51 Favored 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 118.412 -1.315 . . . . 0.0 114.093 -179.564 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 40.6 t -57.78 -42.24 83.68 Favored 'General case' 0 CA--C 1.516 -0.364 0 C-N-CA 119.537 -0.865 . . . . 0.0 110.713 -178.612 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -77.82 -43.36 14.69 Favored Glycine 0 CA--C 1.528 0.886 0 C-N-CA 120.796 -0.716 . . . . 0.0 111.997 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 21' ' ' LYS . . . . . 0.549 ' CB ' ' O ' ' B' ' 17' ' ' ALA . 7.3 ttpm? -58.73 -42.25 88.34 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 -179.152 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.534 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 85.3 tt0 -126.87 141.71 51.74 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 119.924 -0.71 . . . . 0.0 112.892 -178.342 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.75 -150.65 52.06 Favored Glycine 0 C--N 1.334 0.418 0 CA-C-N 115.304 -0.862 . . . . 0.0 112.238 177.639 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -68.56 146.31 53.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.036 -0.582 . . . . 0.0 109.521 179.203 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 24.2 mtmm -85.45 151.82 23.68 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 -179.385 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.602 ' OH ' ' CE3' ' A' ' 90' ' ' TRP . 93.3 m-85 61.33 10.51 3.12 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.507 ' CE ' ' OD2' ' B' ' 66' ' ' ASP . 25.5 tptt -137.95 132.23 32.04 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 105.436 -2.061 . . . . 0.0 105.436 175.016 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 19.2 tp -110.93 122.88 48.98 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.449 -0.5 . . . . 0.0 110.309 -176.272 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.478 ' HA ' ' OE1' ' B' ' 68' ' ' GLU . 81.9 p -86.59 165.97 15.76 Favored 'General case' 0 C--N 1.332 -0.196 0 C-N-CA 120.884 -0.326 . . . . 0.0 111.152 -179.475 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 5.0 ttpm? -56.83 -48.24 78.47 Favored 'General case' 0 C--O 1.243 0.737 0 CA-C-O 121.492 0.663 . . . . 0.0 112.191 -178.223 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.591 ' HG3' ' N ' ' B' ' 32' ' ' GLU . 24.2 pttm -60.95 -47.04 88.25 Favored 'General case' 0 N--CA 1.441 -0.9 0 C-N-CA 119.931 -0.708 . . . . 0.0 109.552 -178.427 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.591 ' N ' ' HG3' ' B' ' 31' ' ' LYS . 97.1 mt-10 -62.24 -47.73 83.11 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.536 -0.756 . . . . 0.0 112.23 -178.853 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.436 HD22 HG21 ' B' ' 69' ' ' VAL . 0.8 OUTLIER -61.69 -34.87 76.52 Favored 'General case' 0 CA--C 1.502 -0.884 0 C-N-CA 118.08 -1.448 . . . . 0.0 109.417 179.49 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.532 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 1.8 tptm -55.24 -37.11 66.79 Favored 'General case' 0 N--CA 1.44 -0.945 0 C-N-CA 118.139 -1.424 . . . . 0.0 108.146 178.01 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.842 ' O ' HG23 ' B' ' 39' ' ' THR . 97.0 mt-10 -74.06 -41.46 61.71 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 112.943 0.72 . . . . 0.0 112.943 179.592 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.729 ' O ' HD23 ' B' ' 36' ' ' LEU . 3.1 tt -64.93 -45.35 86.21 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 120.082 -0.647 . . . . 0.0 111.146 -177.353 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.567 ' O ' ' O ' ' B' ' 41' ' ' LEU . 0.9 OUTLIER -64.89 -44.27 90.16 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 119.312 -0.955 . . . . 0.0 111.231 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.532 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 25.6 mt-30 -63.47 -39.17 93.76 Favored 'General case' 0 CA--C 1.52 -0.198 0 C-N-CA 120.328 -0.549 . . . . 0.0 111.467 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.842 HG23 ' O ' ' B' ' 35' ' ' GLU . 60.1 p -71.47 -32.8 68.69 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.439 -0.504 . . . . 0.0 111.074 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -101.8 -60.02 1.6 Allowed 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 -179.002 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.567 ' O ' ' O ' ' B' ' 37' ' ' LEU . 54.4 mt -99.07 141.55 31.69 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 121.281 0.562 . . . . 0.0 111.55 -179.072 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 5.0 t -113.53 -59.21 2.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.446 179.486 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.02 -39.5 92.04 Favored Glycine 0 CA--C 1.532 1.124 0 CA-C-N 116.172 -0.467 . . . . 0.0 114.155 -178.058 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -63.11 -54.38 38.75 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 118.045 0.923 . . . . 0.0 112.744 -178.065 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -73.92 -37.92 64.48 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 120.54 -0.464 . . . . 0.0 112.126 178.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -59.31 -29.4 67.59 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.94 -31.69 60.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.508 -177.802 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -96.94 118.94 34.45 Favored 'General case' 0 N--CA 1.462 0.151 0 C-N-CA 119.367 -0.933 . . . . 0.0 109.109 179.059 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 69.2 tttt -63.16 -40.16 96.74 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 114.174 1.176 . . . . 0.0 114.174 -178.502 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -71.52 142.61 50.12 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 -177.241 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 51' ' ' VAL . . . . . 0.531 ' O ' HG12 ' B' ' 54' ' ' VAL . 4.9 m -72.15 -28.58 29.78 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.169 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 177.526 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -60.61 -25.28 66.14 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 114.403 -1.271 . . . . 0.0 109.064 177.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.71 -37.5 51.13 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 114.69 -1.141 . . . . 0.0 110.881 -178.018 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.566 HG13 ' N ' ' B' ' 55' ' ' ASP . 8.1 p -60.47 -42.38 91.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 119.255 -0.978 . . . . 0.0 109.655 178.425 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.566 ' N ' HG13 ' B' ' 54' ' ' VAL . 56.0 t0 -61.69 -41.86 98.15 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 178.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 48.0 mttm -60.51 -39.76 88.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.575 179.442 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 69.8 t -65.84 -45.74 90.6 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 C-N-CA 120.622 -0.431 . . . . 0.0 111.232 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 1.1 ppp? -69.75 -33.83 72.98 Favored 'General case' 0 CA--C 1.535 0.404 0 N-CA-C 114.306 1.225 . . . . 0.0 114.306 -178.689 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 13.7 mtmt -59.2 -40.63 86.35 Favored 'General case' 0 CA--C 1.521 -0.142 0 C-N-CA 119.053 -1.059 . . . . 0.0 111.306 -179.244 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -64.3 -39.89 94.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.244 0.545 . . . . 0.0 110.607 178.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.479 HD11 HD22 ' B' ' 77' ' ' LEU . 80.4 mt -68.27 -34.57 76.42 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.261 -0.881 . . . . 0.0 112.964 -179.201 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.541 ' OD2' ' N ' ' B' ' 67' ' ' GLY . 47.9 t0 -73.36 82.79 1.41 Allowed 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 118.375 -1.33 . . . . 0.0 111.375 -177.735 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -67.13 -46.42 74.16 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 122.621 1.201 . . . . 0.0 112.281 177.08 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 31.8 m120 -57.32 -34.9 69.22 Favored 'General case' 0 C--N 1.299 -1.612 0 CA-C-N 112.472 -2.149 . . . . 0.0 113.229 -177.092 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 89.22 4.19 74.66 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 108.164 -1.974 . . . . 0.0 108.164 -177.127 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.659 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 46.6 p30 -62.18 -30.72 71.26 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 114.084 -1.058 . . . . 0.0 111.37 179.572 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.659 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 100.44 -5.78 57.34 Favored Glycine 0 CA--C 1.52 0.369 0 N-CA-C 110.659 -0.976 . . . . 0.0 110.659 -179.539 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.478 ' OE1' ' HA ' ' B' ' 29' ' ' SER . 29.2 mm-40 -122.68 166.04 15.55 Favored 'General case' 0 C--O 1.243 0.728 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 178.047 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.436 HG21 HD22 ' B' ' 33' ' ' LEU . 38.6 t -98.65 132.34 44.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 178.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -95.76 159.2 15.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.259 0.552 . . . . 0.0 111.56 -178.437 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -50.65 -45.01 57.66 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.741 -178.499 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.404 ' HG2' HG21 ' A' ' 83' ' ' VAL . 94.2 mt-30 -61.64 -39.92 93.06 Favored 'General case' 0 C--O 1.241 0.653 0 C-N-CA 119.842 -0.743 . . . . 0.0 110.552 178.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.432 ' CD ' ' O ' ' B' ' 61' ' ' LEU . 94.1 mt-10 -65.36 -41.99 93.25 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-O 121.884 0.849 . . . . 0.0 110.359 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -63.97 -40.35 96.21 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-O 122.222 1.011 . . . . 0.0 109.474 178.527 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.591 HG13 ' HB1' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -60.85 -48.19 90.01 Favored 'Isoleucine or valine' 0 C--O 1.245 0.856 0 CA-C-N 113.822 -1.535 . . . . 0.0 110.365 -179.303 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.405 HG22 ' O ' ' B' ' 73' ' ' GLU . 13.0 m -68.15 -33.96 63.81 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 C-N-CA 117.944 -1.503 . . . . 0.0 109.172 178.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.479 HD22 HD11 ' B' ' 61' ' ' LEU . 51.3 tp -56.57 -52.58 64.27 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 119.06 -1.056 . . . . 0.0 111.896 178.307 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.401 ' O ' ' OG1' ' B' ' 82' ' ' THR . 33.9 m -69.64 -36.68 71.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 C-N-CA 118.575 -1.25 . . . . 0.0 111.957 -178.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.633 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . . . -68.36 -48.04 65.83 Favored 'General case' 0 C--O 1.249 1.056 0 C-N-CA 119.149 -1.02 . . . . 0.0 111.907 -179.361 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.4 -40.49 97.35 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 179.486 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 5.9 mp -65.46 -33.49 76.05 Favored 'General case' 0 C--O 1.218 -0.571 0 C-N-CA 119.17 -1.012 . . . . 0.0 109.806 176.6 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 35.4 m -63.14 -51.38 66.71 Favored 'General case' 0 C--O 1.249 1.062 0 C-N-CA 119.634 -0.826 . . . . 0.0 111.236 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.431 HG22 HD21 ' B' ' 87' ' ' ASN . 14.0 p -63.23 -39.04 83.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 119.308 -0.957 . . . . 0.0 110.749 178.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.511 ' O ' ' CD2' ' B' ' 88' ' ' PHE . . . -65.18 -34.88 79.42 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 120.445 -0.502 . . . . 0.0 109.857 178.854 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 31.6 t -62.98 -55.95 21.32 Favored 'General case' 0 CA--C 1.508 -0.669 0 CA-C-N 115.463 -0.789 . . . . 0.0 109.818 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.439 ' C ' HD21 ' B' ' 86' ' ' ASN . 0.4 OUTLIER -57.34 -39.34 75.7 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 118.417 -1.313 . . . . 0.0 108.859 179.012 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 87' ' ' ASN . . . . . 0.431 HD21 HG22 ' B' ' 83' ' ' VAL . 86.5 m-20 -59.32 -40.25 85.68 Favored 'General case' 0 C--N 1.337 0.06 0 C-N-CA 120.484 -0.486 . . . . 0.0 110.901 179.246 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.543 ' O ' ' O ' ' B' ' 91' ' ' GLU . 61.2 m-85 -67.51 -40.09 85.13 Favored 'General case' 0 CA--C 1.522 -0.132 0 C-N-CA 119.873 -0.731 . . . . 0.0 111.04 178.657 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -62.48 -52.39 63.69 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 119.637 -0.825 . . . . 0.0 111.297 -179.282 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 90' ' ' TRP . . . . . 0.596 ' CE3' ' OH ' ' A' ' 26' ' ' TYR . 23.1 t-105 -67.62 -39.92 84.69 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 121.194 0.521 . . . . 0.0 112.3 179.013 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 91' ' ' GLU . . . . . 0.543 ' O ' ' O ' ' B' ' 88' ' ' PHE . 4.6 tm-20 . . . . . 0 C--N 1.321 -0.65 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.961 -176.709 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 . . . . . 0 C--O 1.238 0.481 0 N-CA-C 111.941 0.348 . . . . 0.0 111.941 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.483 ' O ' HD23 ' A' ' 4' ' ' LEU . 5.7 tt -61.04 -41.18 96.1 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 -178.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.52 -37.57 87.16 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.369 178.307 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 43.8 m -59.16 -41.05 87.45 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 179.055 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.64 -46.13 83.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.43 179.246 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 99.4 mtp -59.39 -41.56 89.68 Favored 'General case' 0 C--O 1.248 1.018 0 CA-C-O 121.724 0.773 . . . . 0.0 109.834 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -65.41 -35.58 81.36 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.239 177.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 49.1 m -63.81 -42.99 97.57 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 119.589 -0.844 . . . . 0.0 109.892 179.303 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 37.9 mt -61.76 -42.58 99.17 Favored 'General case' 0 C--O 1.24 0.553 0 C-N-CA 119.043 -1.063 . . . . 0.0 108.798 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.4 mt -61.19 -45.66 98.16 Favored 'Isoleucine or valine' 0 C--O 1.231 0.113 0 C-N-CA 119.693 -0.803 . . . . 0.0 111.221 178.609 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -62.15 -41.76 98.59 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 113.14 0.792 . . . . 0.0 113.14 -178.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.8 m -73.78 -41.21 54.3 Favored 'Isoleucine or valine' 0 C--O 1.256 1.419 0 C-N-CA 119.27 -0.972 . . . . 0.0 111.569 -179.195 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.434 ' CE2' ' CG ' ' A' ' 71' ' ' PHE . 84.5 t80 -59.96 -47.95 83.71 Favored 'General case' 0 CA--C 1.509 -0.597 0 C-N-CA 119.585 -0.846 . . . . 0.0 109.793 177.615 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -65.78 -34.0 77.17 Favored 'General case' 0 CA--C 1.504 -0.824 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.595 178.164 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.525 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . -58.55 -52.58 65.06 Favored 'General case' 0 N--CA 1.438 -1.056 0 C-N-CA 118.757 -1.177 . . . . 0.0 110.092 -178.498 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.631 ' HA ' ' HZ1' ' A' ' 21' ' ' LYS . 22.0 m-70 -78.84 -48.31 14.95 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 118.618 -1.233 . . . . 0.0 113.595 -179.796 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.8 t -58.29 -44.16 88.38 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 119.549 -0.86 . . . . 0.0 110.74 -179.238 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.1 -43.88 31.47 Favored Glycine 0 CA--C 1.526 0.745 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.81 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.631 ' HZ1' ' HA ' ' A' ' 18' ' ' HIS . 7.3 ttpm? -59.34 -41.34 88.94 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 -178.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.519 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 49.2 tp10 -122.67 140.87 52.37 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 -178.066 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.36 -141.9 47.88 Favored Glycine 0 CA--C 1.52 0.405 0 CA-C-N 114.88 -1.054 . . . . 0.0 112.595 177.57 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -70.63 146.44 50.03 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.03 -0.585 . . . . 0.0 109.977 179.468 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.4 mtmm -86.48 150.34 24.35 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 -179.482 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.489 ' OH ' ' CE3' ' B' ' 90' ' ' TRP . 87.7 m-85 60.42 14.76 4.98 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.553 ' HZ3' ' HG2' ' A' ' 68' ' ' GLU . 18.2 tptm -136.47 136.22 39.27 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 106.751 -1.574 . . . . 0.0 106.751 176.684 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.457 ' C ' ' OE2' ' A' ' 68' ' ' GLU . 14.1 tp -115.03 130.74 57.01 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 120.49 -0.484 . . . . 0.0 111.549 -175.41 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.45 ' CA ' ' OE2' ' A' ' 68' ' ' GLU . 39.7 t -104.92 158.62 16.41 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.597 179.575 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.2 ttpt -53.26 -46.44 69.23 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-O 121.253 0.549 . . . . 0.0 111.481 -177.798 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.607 ' CG ' ' N ' ' A' ' 32' ' ' GLU . 47.5 pttt -59.83 -48.29 82.29 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.674 -178.475 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.607 ' N ' ' CG ' ' A' ' 31' ' ' LYS . 95.3 mt-10 -63.16 -48.28 79.09 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 115.375 -0.829 . . . . 0.0 112.299 -178.402 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.2 pp -62.36 -34.17 76.17 Favored 'General case' 0 CA--C 1.496 -1.115 0 C-N-CA 118.318 -1.353 . . . . 0.0 110.025 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.7 tptp -54.78 -36.51 64.95 Favored 'General case' 0 N--CA 1.434 -1.235 0 C-N-CA 117.5 -1.68 . . . . 0.0 107.629 178.462 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.635 ' O ' HG23 ' A' ' 39' ' ' THR . 96.9 mt-10 -74.67 -41.91 59.43 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 120.154 -0.619 . . . . 0.0 112.462 178.757 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.744 ' O ' HD23 ' A' ' 36' ' ' LEU . 2.2 tt -64.62 -45.34 87.28 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 120.298 -0.561 . . . . 0.0 111.299 -177.543 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.568 ' O ' ' N ' ' A' ' 41' ' ' LEU . 1.1 mm? -64.31 -43.05 95.93 Favored 'General case' 0 CA--C 1.521 -0.135 0 C-N-CA 119.038 -1.065 . . . . 0.0 111.17 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -63.91 -39.65 94.66 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 120.247 -0.581 . . . . 0.0 112.124 179.515 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.635 HG23 ' O ' ' A' ' 35' ' ' GLU . 81.3 p -71.2 -37.57 72.09 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 119.733 -0.787 . . . . 0.0 111.427 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -92.5 -53.62 4.13 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.568 ' N ' ' O ' ' A' ' 37' ' ' LEU . 27.9 mt -103.68 141.62 35.75 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.26 0.552 . . . . 0.0 111.096 -179.432 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.547 ' OG ' ' N ' ' A' ' 43' ' ' GLY . 24.9 p -114.53 -67.22 1.01 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.872 179.231 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.547 ' N ' ' OG ' ' A' ' 42' ' ' SER . . . -57.87 -37.78 86.01 Favored Glycine 0 CA--C 1.531 1.044 0 CA-C-N 115.812 -0.631 . . . . 0.0 113.714 -178.647 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -61.02 -53.93 51.19 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 118.015 0.907 . . . . 0.0 112.233 -178.09 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -74.18 -37.49 63.93 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 120.597 -0.441 . . . . 0.0 111.502 178.364 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -59.36 -29.43 67.68 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.042 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.76 -31.72 59.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.706 -177.612 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 82.0 mm-40 -96.65 119.33 34.93 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 119.351 -0.94 . . . . 0.0 109.124 179.166 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -62.92 -40.73 98.51 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 114.169 1.174 . . . . 0.0 114.169 -178.541 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -71.73 142.38 49.79 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 -177.257 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.505 ' O ' HG12 ' A' ' 54' ' ' VAL . 5.0 m -72.05 -29.36 32.57 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.184 0 N-CA-C 107.791 -1.188 . . . . 0.0 107.791 177.402 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -58.99 -25.07 63.29 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 114.309 -1.314 . . . . 0.0 108.93 177.739 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.448 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -52.37 -37.73 57.04 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 114.572 -1.194 . . . . 0.0 110.97 -178.02 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.554 HG13 ' N ' ' A' ' 55' ' ' ASP . 9.1 p -60.16 -42.47 90.28 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 C-N-CA 119.141 -1.023 . . . . 0.0 109.517 178.598 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.554 ' N ' HG13 ' A' ' 54' ' ' VAL . 55.8 t0 -61.91 -42.54 99.21 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.389 178.729 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 55.4 mttm -60.29 -38.98 85.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.31 179.232 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 53' ' ' ALA . 72.8 t -65.11 -43.99 95.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.18 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.459 ' CE ' ' O ' ' A' ' 67' ' ' GLY . 1.4 ppp? -70.48 -33.1 70.87 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 115.123 1.527 . . . . 0.0 115.123 -178.266 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.404 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 29.1 mmtm -59.62 -40.12 86.52 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 119.507 -0.877 . . . . 0.0 112.967 -178.456 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -70.53 -35.18 73.01 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 119.455 -0.898 . . . . 0.0 110.1 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.404 ' O ' ' CD ' ' A' ' 73' ' ' GLU . 85.0 mt -67.5 -34.72 77.71 Favored 'General case' 0 CA--C 1.511 -0.537 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.966 179.534 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.613 ' OD2' ' N ' ' A' ' 67' ' ' GLY . 50.2 t0 -75.34 93.37 2.89 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 118.739 -1.184 . . . . 0.0 111.436 -177.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -64.19 -45.98 85.97 Favored 'General case' 0 CA--C 1.508 -0.654 0 CA-C-O 122.586 1.184 . . . . 0.0 111.286 176.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 31.2 m120 -59.12 -33.02 70.36 Favored 'General case' 0 C--N 1.298 -1.635 0 CA-C-N 112.566 -2.106 . . . . 0.0 112.568 -178.725 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.8 18.47 67.82 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 108.09 -2.004 . . . . 0.0 108.09 -176.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.599 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 50.1 p30 -86.5 5.86 33.31 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 114.172 -1.014 . . . . 0.0 112.375 -178.581 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.613 ' N ' ' OD2' ' A' ' 62' ' ' ASP . . . 63.14 -1.44 1.94 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.161 -1.175 . . . . 0.0 110.161 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.553 ' HG2' ' HZ3' ' A' ' 27' ' ' LYS . 37.0 tp10 -114.89 141.03 48.48 Favored 'General case' 0 C--O 1.239 0.525 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 -179.535 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 46.5 t -102.77 132.61 48.55 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.451 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 -179.203 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.494 ' C ' ' OD1' ' A' ' 70' ' ' ASP . 28.9 p30 -101.96 172.11 7.12 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 121.194 0.521 . . . . 0.0 110.842 -178.849 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.434 ' CG ' ' CE2' ' A' ' 15' ' ' PHE . 0.9 OUTLIER -54.07 -45.34 71.69 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.965 -178.403 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -61.74 -41.04 97.14 Favored 'General case' 0 C--O 1.245 0.827 0 C-N-CA 119.841 -0.743 . . . . 0.0 111.84 -179.641 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.466 ' O ' HG22 ' A' ' 76' ' ' VAL . 94.1 mt-10 -64.72 -41.74 95.76 Favored 'General case' 0 C--O 1.241 0.657 0 CA-C-O 122.08 0.943 . . . . 0.0 109.985 179.387 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 70.3 t80 -63.71 -40.98 98.11 Favored 'General case' 0 C--O 1.241 0.62 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.19 178.121 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.611 HG13 ' HB1' ' B' ' 79' ' ' ALA . 0.5 OUTLIER -60.0 -47.69 90.78 Favored 'Isoleucine or valine' 0 C--O 1.248 0.99 0 CA-C-N 113.926 -1.488 . . . . 0.0 109.817 -179.092 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.466 HG22 ' O ' ' A' ' 73' ' ' GLU . 14.3 m -67.46 -34.43 68.52 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 C-N-CA 117.727 -1.589 . . . . 0.0 109.313 178.494 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 43.6 tp -55.95 -51.56 67.25 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 118.671 -1.212 . . . . 0.0 111.925 178.095 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 35.1 m -69.13 -36.2 72.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 118.544 -1.262 . . . . 0.0 111.764 -178.799 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.695 ' HB2' ' HB2' ' B' ' 79' ' ' ALA . . . -67.92 -47.68 68.08 Favored 'General case' 0 C--O 1.251 1.143 0 C-N-CA 119.052 -1.059 . . . . 0.0 111.814 -179.622 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.21 -39.89 95.92 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.261 179.492 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.0 mp -65.25 -34.88 79.41 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 119.184 -1.006 . . . . 0.0 109.714 176.818 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 39.2 m -62.79 -50.59 70.4 Favored 'General case' 0 C--O 1.249 1.045 0 C-N-CA 119.704 -0.798 . . . . 0.0 111.386 179.739 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 14.1 p -63.21 -38.84 83.18 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 119.081 -1.048 . . . . 0.0 110.588 178.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.42 ' O ' ' CD2' ' A' ' 88' ' ' PHE . . . -64.83 -34.25 77.93 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 120.429 -0.508 . . . . 0.0 109.906 178.829 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 40.6 t -63.48 -54.5 35.41 Favored 'General case' 0 CA--C 1.508 -0.647 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.342 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -55.77 -40.4 72.56 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 118.522 -1.271 . . . . 0.0 108.702 178.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.692 ' O ' ' HB2' ' A' ' 91' ' ' GLU . 86.6 m-20 -59.77 -42.07 92.47 Favored 'General case' 0 C--O 1.204 -1.33 0 C-N-CA 120.172 -0.611 . . . . 0.0 110.563 178.734 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.522 ' O ' ' O ' ' A' ' 91' ' ' GLU . 75.9 m-85 -66.06 -36.2 82.58 Favored 'General case' 0 C--N 1.31 -1.115 0 C-N-CA 117.061 -1.856 . . . . 0.0 110.558 178.644 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -64.94 -61.8 1.95 Allowed 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 119.51 -0.876 . . . . 0.0 112.154 -178.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.503 ' CD1' ' C ' ' A' ' 90' ' ' TRP . 19.8 t-105 -68.76 -43.07 76.57 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 121.625 0.726 . . . . 0.0 111.595 179.043 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.692 ' HB2' ' O ' ' A' ' 87' ' ' ASN . 67.9 mm-40 . . . . . 0 C--N 1.321 -0.658 0 CA-C-N 114.602 -1.181 . . . . 0.0 111.426 -179.023 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 . . . . . 0 C--O 1.238 0.494 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.484 ' O ' HD23 ' B' ' 4' ' ' LEU . 5.7 tt -61.13 -41.26 96.4 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -178.812 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.43 -37.67 87.6 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.393 178.273 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 43.8 m -59.14 -40.99 87.22 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.69 -46.11 83.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.526 179.192 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 99.4 mtp -59.43 -41.52 89.77 Favored 'General case' 0 C--O 1.248 0.976 0 CA-C-O 121.613 0.72 . . . . 0.0 109.932 179.519 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -65.23 -36.51 84.39 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.161 177.839 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 45.9 m -62.89 -43.3 99.17 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 119.709 -0.796 . . . . 0.0 110.042 179.164 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 43.7 mt -61.79 -42.47 99.04 Favored 'General case' 0 C--O 1.24 0.592 0 C-N-CA 119.117 -1.033 . . . . 0.0 108.78 179.743 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.5 mt -61.19 -45.64 98.2 Favored 'Isoleucine or valine' 0 C--O 1.231 0.114 0 C-N-CA 119.782 -0.767 . . . . 0.0 111.191 178.576 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -62.27 -41.8 98.79 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -178.788 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 14.5 m -73.71 -41.17 54.76 Favored 'Isoleucine or valine' 0 C--O 1.256 1.419 0 C-N-CA 119.244 -0.982 . . . . 0.0 111.562 -179.236 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.435 ' CE2' ' CG ' ' B' ' 71' ' ' PHE . 84.3 t80 -59.98 -47.94 83.73 Favored 'General case' 0 CA--C 1.51 -0.562 0 C-N-CA 119.598 -0.841 . . . . 0.0 109.775 177.674 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -65.78 -34.04 77.24 Favored 'General case' 0 CA--C 1.504 -0.81 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.566 178.237 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.531 ' O ' ' CB ' ' B' ' 21' ' ' LYS . . . -58.53 -52.47 65.49 Favored 'General case' 0 N--CA 1.436 -1.135 0 C-N-CA 118.728 -1.189 . . . . 0.0 110.195 -178.556 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.594 ' HA ' ' HZ1' ' B' ' 21' ' ' LYS . 21.7 m-70 -78.93 -48.25 14.91 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 118.543 -1.263 . . . . 0.0 113.513 -179.771 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 42.5 t -58.39 -44.16 88.83 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 119.685 -0.806 . . . . 0.0 110.676 -179.186 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.12 -43.93 31.21 Favored Glycine 0 CA--C 1.526 0.755 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.779 179.663 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 21' ' ' LYS . . . . . 0.594 ' HZ1' ' HA ' ' B' ' 18' ' ' HIS . 7.3 ttpm? -59.32 -41.29 88.73 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 113.92 1.081 . . . . 0.0 113.92 -178.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.515 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 49.3 tp10 -122.84 140.97 52.37 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 113.313 0.856 . . . . 0.0 113.313 -178.094 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.29 -141.9 47.82 Favored Glycine 0 C--N 1.334 0.454 0 CA-C-N 114.777 -1.101 . . . . 0.0 112.6 177.654 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -70.58 146.33 50.18 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.083 -0.558 . . . . 0.0 109.944 179.521 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 25.4 mtmm -86.41 150.26 24.43 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 -179.532 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.486 ' OH ' ' CE3' ' A' ' 90' ' ' TRP . 88.0 m-85 60.41 14.88 5.05 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.429 ' HZ3' ' HG2' ' B' ' 68' ' ' GLU . 17.9 tptm -136.47 136.35 39.37 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 106.744 -1.576 . . . . 0.0 106.744 176.58 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.464 ' C ' ' OE2' ' B' ' 68' ' ' GLU . 14.1 tp -115.03 130.65 56.99 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 120.586 -0.445 . . . . 0.0 111.624 -175.456 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.459 ' CA ' ' OE2' ' B' ' 68' ' ' GLU . 40.3 t -104.79 158.48 16.49 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 122.52 0.328 . . . . 0.0 110.624 179.568 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 20.1 ttpt -53.12 -46.54 68.79 Favored 'General case' 0 C--O 1.24 0.561 0 CA-C-O 121.23 0.538 . . . . 0.0 111.506 -177.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.6 ' CG ' ' N ' ' B' ' 32' ' ' GLU . 47.4 pttt -59.82 -48.37 81.95 Favored 'General case' 0 N--CA 1.44 -0.932 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.67 -178.501 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.6 ' N ' ' CG ' ' B' ' 31' ' ' LYS . 95.2 mt-10 -63.12 -48.22 79.46 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.394 -0.821 . . . . 0.0 112.24 -178.406 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.2 pp -62.39 -34.23 76.32 Favored 'General case' 0 CA--C 1.496 -1.104 0 C-N-CA 118.368 -1.333 . . . . 0.0 110.026 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 14.7 tptp -54.64 -36.6 64.72 Favored 'General case' 0 N--CA 1.433 -1.293 0 C-N-CA 117.551 -1.66 . . . . 0.0 107.691 178.386 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.645 ' O ' HG23 ' B' ' 39' ' ' THR . 96.9 mt-10 -74.7 -41.78 59.58 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 120.149 -0.62 . . . . 0.0 112.479 178.79 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.748 ' O ' HD23 ' B' ' 36' ' ' LEU . 2.2 tt -64.68 -45.45 86.64 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 120.306 -0.557 . . . . 0.0 111.281 -177.554 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.573 ' O ' ' N ' ' B' ' 41' ' ' LEU . 1.1 mm? -64.25 -43.12 95.87 Favored 'General case' 0 CA--C 1.521 -0.156 0 C-N-CA 119.131 -1.027 . . . . 0.0 111.111 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -63.87 -39.74 94.89 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 120.3 -0.56 . . . . 0.0 111.993 179.608 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.645 HG23 ' O ' ' B' ' 35' ' ' GLU . 81.4 p -71.18 -37.58 72.16 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 119.76 -0.776 . . . . 0.0 111.378 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -92.52 -53.63 4.12 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.573 ' N ' ' O ' ' B' ' 37' ' ' LEU . 28.0 mt -103.71 141.67 35.67 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.197 0.522 . . . . 0.0 111.118 -179.428 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.551 ' OG ' ' N ' ' B' ' 43' ' ' GLY . 25.1 p -114.62 -67.28 1.01 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.815 179.299 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 43' ' ' GLY . . . . . 0.551 ' N ' ' OG ' ' B' ' 42' ' ' SER . . . -57.9 -37.73 85.98 Favored Glycine 0 CA--C 1.531 1.052 0 CA-C-N 115.853 -0.612 . . . . 0.0 113.672 -178.603 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -61.09 -53.87 51.67 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 118.042 0.921 . . . . 0.0 112.237 -178.091 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -74.09 -37.6 64.12 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 120.613 -0.435 . . . . 0.0 111.427 178.367 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -59.32 -29.47 67.65 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.015 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.87 -31.6 59.91 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.642 -177.574 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -96.6 119.33 34.89 Favored 'General case' 0 C--N 1.333 -0.152 0 C-N-CA 119.388 -0.925 . . . . 0.0 109.132 179.046 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -63.05 -40.6 98.2 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 114.13 1.159 . . . . 0.0 114.13 -178.601 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -71.85 142.41 49.58 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 -177.289 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 51' ' ' VAL . . . . . 0.507 ' O ' HG12 ' B' ' 54' ' ' VAL . 5.0 m -72.05 -29.36 32.53 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.18 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 177.509 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -59.08 -25.12 63.5 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 114.304 -1.316 . . . . 0.0 108.886 177.828 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.453 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -52.29 -37.67 56.24 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 114.606 -1.179 . . . . 0.0 111.078 -178.105 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.551 HG13 ' N ' ' B' ' 55' ' ' ASP . 9.1 p -60.23 -42.48 90.56 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 C-N-CA 119.141 -1.023 . . . . 0.0 109.47 178.547 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.551 ' N ' HG13 ' B' ' 54' ' ' VAL . 55.8 t0 -61.89 -42.48 99.12 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.406 178.741 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 55.3 mttm -60.34 -39.09 85.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.286 179.23 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.453 HG23 ' O ' ' B' ' 53' ' ' ALA . 72.0 t -64.92 -44.04 96.19 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.324 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.249 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.467 ' CE ' ' O ' ' B' ' 67' ' ' GLY . 1.4 ppp? -70.5 -33.08 70.82 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 115.113 1.523 . . . . 0.0 115.113 -178.199 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 59' ' ' LYS . . . . . 0.417 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 29.1 mmtm -59.61 -40.1 86.42 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 119.533 -0.867 . . . . 0.0 112.931 -178.394 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -70.59 -35.07 72.83 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 119.365 -0.934 . . . . 0.0 110.121 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.405 ' O ' ' CD ' ' B' ' 73' ' ' GLU . 85.1 mt -67.63 -34.72 77.53 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.851 179.579 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.609 ' OD2' ' N ' ' B' ' 67' ' ' GLY . 50.1 t0 -75.41 93.49 2.95 Favored 'General case' 0 N--CA 1.446 -0.647 0 C-N-CA 118.775 -1.17 . . . . 0.0 111.423 -178.007 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -64.24 -45.98 85.8 Favored 'General case' 0 CA--C 1.508 -0.652 0 CA-C-O 122.589 1.185 . . . . 0.0 111.238 176.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 31.1 m120 -59.18 -33.04 70.47 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-N 112.556 -2.111 . . . . 0.0 112.49 -178.616 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.81 18.51 67.7 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 108.1 -2.0 . . . . 0.0 108.1 -176.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.594 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 50.3 p30 -86.49 5.74 33.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 114.192 -1.004 . . . . 0.0 112.317 -178.543 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.609 ' N ' ' OD2' ' B' ' 62' ' ' ASP . . . 63.07 -1.38 1.91 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.167 -1.173 . . . . 0.0 110.167 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.522 ' H ' ' C ' ' B' ' 66' ' ' ASP . 36.6 tp10 -114.89 141.07 48.43 Favored 'General case' 0 C--O 1.24 0.568 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 -179.544 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 46.6 t -102.8 132.55 48.72 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.49 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 -179.137 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.493 ' OD1' ' C ' ' B' ' 70' ' ' ASP . 29.6 p30 -101.64 172.09 7.16 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.24 0.543 . . . . 0.0 110.87 -178.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.435 ' CG ' ' CE2' ' B' ' 15' ' ' PHE . 0.9 OUTLIER -54.17 -45.38 72.08 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.887 -178.507 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -61.68 -41.0 96.97 Favored 'General case' 0 C--O 1.243 0.741 0 C-N-CA 119.842 -0.743 . . . . 0.0 111.849 -179.686 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.461 ' O ' HG22 ' B' ' 76' ' ' VAL . 94.2 mt-10 -64.76 -41.8 95.6 Favored 'General case' 0 C--O 1.242 0.66 0 CA-C-O 122.052 0.93 . . . . 0.0 109.922 179.432 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -63.6 -40.99 98.35 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.221 178.108 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.609 HG13 ' HB1' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -60.08 -47.59 91.29 Favored 'Isoleucine or valine' 0 C--O 1.248 1.023 0 CA-C-N 113.901 -1.499 . . . . 0.0 109.811 -179.037 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.461 HG22 ' O ' ' B' ' 73' ' ' GLU . 14.6 m -67.58 -34.47 68.44 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 C-N-CA 117.752 -1.579 . . . . 0.0 109.186 178.565 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 43.3 tp -55.88 -51.58 67.08 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 118.68 -1.208 . . . . 0.0 111.905 178.148 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 35.2 m -69.15 -36.21 72.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 118.51 -1.276 . . . . 0.0 111.705 -178.763 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.695 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . . . -67.87 -47.72 68.11 Favored 'General case' 0 C--O 1.25 1.098 0 C-N-CA 119.032 -1.067 . . . . 0.0 111.828 -179.632 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.21 -39.88 95.9 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.214 179.551 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 5.9 mp -65.15 -35.05 79.89 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 119.23 -0.988 . . . . 0.0 109.767 176.729 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 40.2 m -62.85 -50.34 71.33 Favored 'General case' 0 C--O 1.248 0.999 0 C-N-CA 119.566 -0.854 . . . . 0.0 111.38 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 14.1 p -63.3 -38.82 83.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 C-N-CA 119.097 -1.041 . . . . 0.0 110.643 178.728 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.428 ' O ' ' CD2' ' B' ' 88' ' ' PHE . . . -64.88 -34.28 78.01 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 120.431 -0.508 . . . . 0.0 109.816 178.823 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 40.6 t -63.42 -54.5 35.7 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.354 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -55.79 -40.44 72.67 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 118.501 -1.28 . . . . 0.0 108.678 178.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 87' ' ' ASN . . . . . 0.669 ' O ' ' HB2' ' B' ' 91' ' ' GLU . 86.5 m-20 -59.64 -42.22 92.28 Favored 'General case' 0 C--O 1.203 -1.382 0 C-N-CA 120.201 -0.599 . . . . 0.0 110.575 178.743 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.529 ' O ' ' O ' ' B' ' 91' ' ' GLU . 75.5 m-85 -66.04 -36.14 82.45 Favored 'General case' 0 C--N 1.31 -1.109 0 C-N-CA 117.021 -1.872 . . . . 0.0 110.583 178.714 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -64.91 -61.87 1.91 Allowed 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 119.608 -0.837 . . . . 0.0 112.094 -178.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 90' ' ' TRP . . . . . 0.509 ' C ' ' CD1' ' B' ' 90' ' ' TRP . 19.7 t-105 -68.82 -43.0 76.45 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 121.606 0.717 . . . . 0.0 111.62 179.058 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 91' ' ' GLU . . . . . 0.669 ' HB2' ' O ' ' B' ' 87' ' ' ASN . 67.6 mm-40 . . . . . 0 C--N 1.321 -0.658 0 CA-C-N 114.604 -1.18 . . . . 0.0 111.401 -179.048 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 . . . . . 0 C--O 1.236 0.392 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.504 ' O ' HD23 ' A' ' 4' ' ' LEU . 5.6 tt -60.71 -41.19 94.75 Favored 'General case' 0 C--O 1.239 0.54 0 C-N-CA 118.983 -1.087 . . . . 0.0 108.125 -178.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -65.29 -37.58 87.62 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.208 178.207 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.7 m -59.14 -40.83 86.73 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 179.21 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.03 -46.17 82.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.206 -0.907 . . . . 0.0 110.55 179.202 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 99.3 mtp -59.49 -41.52 90.03 Favored 'General case' 0 C--O 1.249 1.062 0 CA-C-O 121.809 0.814 . . . . 0.0 109.728 179.648 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.35 -35.3 80.55 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.116 177.696 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 47.7 m -64.24 -43.06 96.07 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 119.773 -0.771 . . . . 0.0 110.022 179.336 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 37.8 mt -61.67 -42.8 99.41 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 119.162 -1.015 . . . . 0.0 108.557 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.1 mt -61.28 -45.59 98.31 Favored 'Isoleucine or valine' 0 C--O 1.232 0.133 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.249 178.534 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -62.42 -41.6 98.81 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 -178.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.7 m -74.1 -40.88 51.93 Favored 'Isoleucine or valine' 0 C--O 1.257 1.459 0 C-N-CA 119.303 -0.959 . . . . 0.0 111.3 -179.337 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.429 ' CE2' ' CG ' ' A' ' 71' ' ' PHE . 82.3 t80 -59.93 -47.32 86.26 Favored 'General case' 0 CA--C 1.508 -0.67 0 C-N-CA 119.809 -0.756 . . . . 0.0 109.437 177.593 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -66.02 -33.76 76.53 Favored 'General case' 0 CA--C 1.504 -0.793 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.547 178.065 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.526 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . -58.86 -52.47 65.59 Favored 'General case' 0 N--CA 1.437 -1.103 0 C-N-CA 118.766 -1.174 . . . . 0.0 110.172 -178.462 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.466 ' ND1' ' HG ' ' A' ' 36' ' ' LEU . 43.8 m80 -78.74 -47.85 16.03 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 118.8 -1.16 . . . . 0.0 113.432 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.1 t -58.58 -43.5 89.48 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 119.906 -0.718 . . . . 0.0 110.915 -179.135 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -75.91 -43.98 20.73 Favored Glycine 0 CA--C 1.527 0.841 0 C-N-CA 120.975 -0.631 . . . . 0.0 111.641 179.695 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.526 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 6.9 ttpm? -59.04 -39.82 83.18 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 -179.198 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.492 ' OE2' ' OE1' ' A' ' 35' ' ' GLU . 97.1 mt-10 -121.73 147.37 46.0 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 -178.845 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 52.95 -142.07 27.88 Favored Glycine 0 C--N 1.334 0.436 0 CA-C-N 114.754 -1.112 . . . . 0.0 112.586 177.45 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -70.67 146.97 49.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 114.934 -0.633 . . . . 0.0 109.803 179.434 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -85.68 149.77 25.08 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 -179.323 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.431 ' CE2' ' CZ3' ' B' ' 90' ' ' TRP . 88.7 m-85 60.36 15.79 5.74 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 112.184 0.438 . . . . 0.0 112.184 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.3 tptt -135.79 137.63 41.8 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 106.443 -1.688 . . . . 0.0 106.443 176.663 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.457 ' C ' ' OE2' ' A' ' 68' ' ' GLU . 13.7 tp -114.46 129.65 56.67 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 120.239 -0.584 . . . . 0.0 111.474 -175.551 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.446 ' CA ' ' OE2' ' A' ' 68' ' ' GLU . 41.0 t -105.53 159.13 16.18 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 122.484 0.313 . . . . 0.0 110.79 179.589 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.4 ttpt -52.94 -46.98 68.37 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-O 121.123 0.487 . . . . 0.0 111.786 -178.156 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.603 ' CG ' ' N ' ' A' ' 32' ' ' GLU . 54.0 pttt -59.88 -48.05 83.28 Favored 'General case' 0 N--CA 1.44 -0.926 0 C-N-CA 119.982 -0.687 . . . . 0.0 109.736 -178.508 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.603 ' N ' ' CG ' ' A' ' 31' ' ' LYS . 94.9 mt-10 -63.44 -48.3 78.31 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.231 -0.895 . . . . 0.0 112.318 -178.321 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 pp -62.75 -33.93 76.17 Favored 'General case' 0 CA--C 1.498 -1.028 0 C-N-CA 118.466 -1.294 . . . . 0.0 110.094 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.493 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 0.9 OUTLIER -54.53 -36.75 64.59 Favored 'General case' 0 N--CA 1.434 -1.231 0 C-N-CA 117.785 -1.566 . . . . 0.0 107.497 178.13 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.853 ' O ' HG23 ' A' ' 39' ' ' THR . 97.2 mt-10 -75.48 -41.21 56.01 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 178.659 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.742 ' O ' HD23 ' A' ' 36' ' ' LEU . 2.7 tt -65.42 -46.01 81.66 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 120.073 -0.651 . . . . 0.0 111.472 -177.117 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.577 ' O ' ' N ' ' A' ' 41' ' ' LEU . 1.1 mm? -65.05 -43.37 92.52 Favored 'General case' 0 CA--C 1.52 -0.196 0 C-N-CA 119.08 -1.048 . . . . 0.0 111.206 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.493 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 25.7 mt-30 -64.25 -39.49 94.06 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.492 -0.483 . . . . 0.0 111.934 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.853 HG23 ' O ' ' A' ' 35' ' ' GLU . 64.6 p -71.1 -38.21 72.37 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.112 -0.635 . . . . 0.0 111.259 -179.725 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -92.76 -52.36 4.66 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.577 ' N ' ' O ' ' A' ' 37' ' ' LEU . 29.1 mt -104.09 141.46 36.18 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 121.155 0.503 . . . . 0.0 111.242 -179.352 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.2 m -113.53 -67.63 0.98 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.493 178.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.87 -37.79 91.36 Favored Glycine 0 CA--C 1.532 1.097 0 CA-C-N 115.562 -0.745 . . . . 0.0 113.89 -178.693 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -60.18 -52.75 63.98 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 118.0 0.9 . . . . 0.0 112.171 -178.077 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -75.78 -41.12 53.91 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 120.343 -0.543 . . . . 0.0 111.344 178.251 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 57.0 t0 -60.87 -32.98 72.39 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.554 -0.748 . . . . 0.0 112.346 -179.216 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.1 -37.78 75.18 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -177.202 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -63.29 -33.87 76.44 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 119.742 -0.783 . . . . 0.0 109.318 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt 72.19 -40.21 0.47 Allowed 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.004 -0.998 . . . . 0.0 112.467 179.341 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -71.14 142.68 50.72 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.459 -0.497 . . . . 0.0 111.837 -179.155 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.5 ' O ' HG12 ' A' ' 54' ' ' VAL . 5.2 m -71.48 -30.08 37.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 178.292 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -61.39 -26.48 67.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.582 -1.19 . . . . 0.0 109.779 178.28 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.516 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -52.27 -38.0 57.01 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.066 -0.97 . . . . 0.0 111.707 -177.141 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.594 HG13 ' N ' ' A' ' 55' ' ' ASP . 7.5 p -59.88 -43.94 93.19 Favored 'Isoleucine or valine' 0 C--O 1.238 0.467 0 C-N-CA 119.152 -1.019 . . . . 0.0 109.923 179.156 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.594 ' N ' HG13 ' A' ' 54' ' ' VAL . 88.8 m-20 -62.54 -43.4 98.91 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.025 179.195 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -60.99 -39.43 89.63 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.476 179.521 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 53' ' ' ALA . 76.1 t -65.81 -45.15 92.33 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.381 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.787 -179.604 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.499 ' CE ' ' O ' ' A' ' 67' ' ' GLY . 0.3 OUTLIER -70.92 -34.73 71.81 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 -178.721 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.422 ' N ' ' HG3' ' A' ' 58' ' ' MET . 13.9 mtmt -60.14 -40.89 91.41 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 113.239 0.829 . . . . 0.0 113.239 -178.312 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -71.76 -36.71 70.49 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 119.686 -0.806 . . . . 0.0 110.683 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.402 ' O ' ' CD ' ' A' ' 73' ' ' GLU . 93.2 mt -67.7 -34.43 76.86 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-N 115.87 -0.604 . . . . 0.0 112.288 179.58 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.613 ' OD2' ' N ' ' A' ' 67' ' ' GLY . 50.7 t0 -75.53 93.02 2.95 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 118.69 -1.204 . . . . 0.0 111.265 -178.064 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 79.5 tt0 -63.71 -45.82 88.26 Favored 'General case' 0 CA--C 1.507 -0.676 0 CA-C-O 122.612 1.196 . . . . 0.0 111.23 177.029 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 30.9 m120 -59.2 -33.29 70.79 Favored 'General case' 0 C--N 1.299 -1.623 0 CA-C-N 112.476 -2.147 . . . . 0.0 112.452 -178.678 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.37 19.34 66.78 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 108.056 -2.018 . . . . 0.0 108.056 -176.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.589 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 48.5 p30 -86.66 5.6 35.19 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 114.203 -0.999 . . . . 0.0 112.405 -178.449 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.613 ' N ' ' OD2' ' A' ' 62' ' ' ASP . . . 64.15 -2.36 2.23 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.317 -1.113 . . . . 0.0 110.317 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.511 ' H ' ' C ' ' A' ' 66' ' ' ASP . 37.7 tp10 -114.69 140.5 48.8 Favored 'General case' 0 C--O 1.239 0.519 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 -179.676 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 48.1 t -102.26 132.67 47.8 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.475 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 -179.433 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.494 ' C ' ' OD1' ' A' ' 70' ' ' ASP . 28.7 p30 -101.55 172.12 7.16 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.896 -178.491 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.429 ' CG ' ' CE2' ' A' ' 15' ' ' PHE . 0.9 OUTLIER -54.36 -45.25 72.71 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.36 -0.837 . . . . 0.0 110.944 -178.504 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -61.58 -41.14 96.98 Favored 'General case' 0 C--O 1.245 0.864 0 O-C-N 121.505 -0.747 . . . . 0.0 111.846 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.472 ' O ' HG22 ' A' ' 76' ' ' VAL . 94.6 mt-10 -64.7 -41.99 95.61 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 122.174 0.987 . . . . 0.0 109.909 179.452 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -63.55 -40.82 98.0 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-O 122.391 1.091 . . . . 0.0 110.211 178.188 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.608 HG13 ' HB1' ' B' ' 79' ' ' ALA . 0.5 OUTLIER -60.2 -47.5 91.88 Favored 'Isoleucine or valine' 0 C--O 1.247 0.96 0 CA-C-N 113.848 -1.524 . . . . 0.0 109.882 -179.083 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.472 HG22 ' O ' ' A' ' 73' ' ' GLU . 15.6 m -67.46 -34.42 68.48 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.546 0 C-N-CA 117.669 -1.612 . . . . 0.0 109.101 178.516 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 48.0 tp -55.76 -51.76 66.29 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 118.762 -1.175 . . . . 0.0 111.998 178.135 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 34.7 m -69.47 -35.53 67.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 118.607 -1.237 . . . . 0.0 111.815 -178.787 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.715 ' HB2' ' HB2' ' B' ' 79' ' ' ALA . . . -68.38 -48.12 65.57 Favored 'General case' 0 C--O 1.25 1.079 0 C-N-CA 118.933 -1.107 . . . . 0.0 111.759 -179.642 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.05 -39.86 95.99 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.0 179.682 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.9 mp -65.52 -34.53 78.48 Favored 'General case' 0 C--O 1.219 -0.514 0 C-N-CA 119.22 -0.992 . . . . 0.0 109.994 176.588 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 36.6 m -62.93 -50.43 70.86 Favored 'General case' 0 C--O 1.248 1.008 0 C-N-CA 119.576 -0.849 . . . . 0.0 111.248 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.4 p -63.89 -38.37 82.18 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 119.163 -1.015 . . . . 0.0 110.543 178.66 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.53 -30.33 71.06 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.972 178.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 12.6 t -69.12 -54.3 15.68 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.418 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -55.75 -40.93 73.24 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 118.439 -1.305 . . . . 0.0 108.425 178.808 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -59.97 -37.5 79.79 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.886 177.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.526 ' O ' ' O ' ' A' ' 91' ' ' GLU . 67.2 t80 -63.33 -46.85 84.75 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.059 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -65.65 -52.48 51.42 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.314 -0.554 . . . . 0.0 111.988 -179.325 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.496 ' CD1' ' C ' ' A' ' 90' ' ' TRP . 21.2 t-105 -63.35 -39.24 93.99 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 121.297 0.57 . . . . 0.0 112.296 179.773 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.526 ' O ' ' O ' ' A' ' 88' ' ' PHE . 2.8 tm-20 . . . . . 0 C--N 1.319 -0.727 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.062 -177.236 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 . . . . . 0 C--O 1.236 0.383 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.503 ' O ' HD23 ' B' ' 4' ' ' LEU . 5.6 tt -60.47 -41.31 93.9 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 118.99 -1.084 . . . . 0.0 108.185 -178.871 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -65.24 -37.67 87.97 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.186 178.209 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 44.3 m -59.08 -40.64 85.88 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 179.204 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.24 -46.1 81.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.557 179.2 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 99.2 mtp -59.6 -41.54 90.54 Favored 'General case' 0 C--O 1.25 1.09 0 CA-C-O 121.692 0.758 . . . . 0.0 109.761 179.634 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.18 -36.15 83.31 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.32 -0.855 . . . . 0.0 109.987 177.762 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 45.9 m -63.42 -43.21 98.13 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 119.733 -0.787 . . . . 0.0 110.212 179.205 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 44.3 mt -61.67 -42.71 99.29 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 119.181 -1.007 . . . . 0.0 108.635 179.718 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.1 mt -61.29 -45.6 98.29 Favored 'Isoleucine or valine' 0 C--O 1.232 0.147 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.26 178.531 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -62.31 -41.65 98.71 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 -178.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 13.7 m -74.07 -40.91 52.13 Favored 'Isoleucine or valine' 0 C--O 1.256 1.401 0 C-N-CA 119.338 -0.945 . . . . 0.0 111.337 -179.305 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.425 ' CE2' ' CG ' ' B' ' 71' ' ' PHE . 82.6 t80 -59.88 -47.33 86.18 Favored 'General case' 0 CA--C 1.507 -0.678 0 C-N-CA 119.822 -0.751 . . . . 0.0 109.479 177.535 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -65.98 -33.83 76.71 Favored 'General case' 0 CA--C 1.504 -0.813 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.594 178.028 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.534 ' O ' ' CB ' ' B' ' 21' ' ' LYS . . . -58.86 -52.46 65.62 Favored 'General case' 0 N--CA 1.437 -1.104 0 C-N-CA 118.801 -1.159 . . . . 0.0 110.159 -178.489 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.505 ' HA ' ' HZ1' ' B' ' 21' ' ' LYS . 43.7 m80 -78.64 -48.0 15.93 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 118.794 -1.162 . . . . 0.0 113.462 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 47.1 t -58.5 -43.62 89.13 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 119.944 -0.702 . . . . 0.0 110.888 -179.16 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -75.89 -43.96 20.9 Favored Glycine 0 CA--C 1.526 0.764 0 C-N-CA 120.953 -0.641 . . . . 0.0 111.648 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 21' ' ' LYS . . . . . 0.534 ' CB ' ' O ' ' B' ' 17' ' ' ALA . 6.9 ttpm? -59.0 -39.83 83.01 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 -179.252 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.478 ' OE2' ' OE1' ' B' ' 35' ' ' GLU . 97.2 mt-10 -121.8 147.48 45.9 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 113.758 1.021 . . . . 0.0 113.758 -178.826 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 52.87 -142.09 27.46 Favored Glycine 0 C--N 1.335 0.486 0 CA-C-N 114.714 -1.13 . . . . 0.0 112.538 177.443 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -70.56 146.84 49.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 114.959 -0.621 . . . . 0.0 109.891 179.375 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 9.3 mtmp? -85.58 149.68 25.18 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 -179.33 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.427 ' CE2' ' CZ3' ' A' ' 90' ' ' TRP . 88.7 m-85 60.55 15.65 5.83 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 112.049 0.389 . . . . 0.0 112.049 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 33.0 tptt -135.74 137.78 42.03 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 106.512 -1.662 . . . . 0.0 106.512 176.592 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.473 ' C ' ' OE2' ' B' ' 68' ' ' GLU . 13.7 tp -114.57 129.64 56.69 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 120.224 -0.59 . . . . 0.0 111.455 -175.466 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.46 ' CA ' ' OE2' ' B' ' 68' ' ' GLU . 41.7 t -105.5 159.06 16.23 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.765 179.614 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 23.4 ttpt -52.92 -46.87 68.26 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-O 121.23 0.538 . . . . 0.0 111.831 -178.178 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.595 ' HG3' ' N ' ' B' ' 32' ' ' GLU . 54.3 pttt -60.03 -48.13 82.99 Favored 'General case' 0 N--CA 1.44 -0.944 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.56 -178.413 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.595 ' N ' ' HG3' ' B' ' 31' ' ' LYS . 94.9 mt-10 -63.3 -48.35 78.48 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 115.278 -0.874 . . . . 0.0 112.323 -178.348 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 pp -62.83 -33.85 76.09 Favored 'General case' 0 CA--C 1.498 -1.048 0 C-N-CA 118.54 -1.264 . . . . 0.0 110.122 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.454 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 0.9 OUTLIER -54.57 -36.64 64.59 Favored 'General case' 0 N--CA 1.435 -1.182 0 C-N-CA 117.714 -1.595 . . . . 0.0 107.533 178.028 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.869 ' O ' HG23 ' B' ' 39' ' ' THR . 97.2 mt-10 -75.55 -41.19 55.53 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 178.654 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.737 ' O ' HD23 ' B' ' 36' ' ' LEU . 2.8 tt -65.45 -45.91 81.91 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 120.041 -0.664 . . . . 0.0 111.535 -177.16 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.576 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 1.1 mm? -65.06 -43.43 92.29 Favored 'General case' 0 CA--C 1.521 -0.168 0 C-N-CA 119.123 -1.031 . . . . 0.0 111.188 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.454 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 25.7 mt-30 -64.19 -39.62 94.38 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.521 -0.472 . . . . 0.0 111.92 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.869 HG23 ' O ' ' B' ' 35' ' ' GLU . 65.4 p -70.96 -38.27 72.81 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.17 -0.612 . . . . 0.0 111.304 -179.723 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -92.78 -52.3 4.68 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 112.327 0.491 . . . . 0.0 112.327 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.576 ' N ' ' O ' ' B' ' 37' ' ' LEU . 28.8 mt -104.11 141.44 36.23 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 121.176 0.512 . . . . 0.0 111.269 -179.371 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.2 m -113.55 -67.55 0.99 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.53 178.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.96 -37.69 91.68 Favored Glycine 0 CA--C 1.531 1.09 0 CA-C-N 115.567 -0.742 . . . . 0.0 113.825 -178.715 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -60.23 -52.78 63.85 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 118.092 0.946 . . . . 0.0 112.078 -178.025 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -75.76 -41.28 53.57 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 120.346 -0.541 . . . . 0.0 111.265 178.323 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -60.65 -33.13 72.34 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.562 -0.744 . . . . 0.0 112.367 -179.217 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.04 -37.82 75.08 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -177.174 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -63.27 -33.86 76.42 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 119.7 -0.8 . . . . 0.0 109.333 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt 72.17 -40.21 0.47 Allowed 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.048 -0.978 . . . . 0.0 112.473 179.342 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -71.14 142.66 50.73 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.43 -0.508 . . . . 0.0 111.795 -179.178 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 51' ' ' VAL . . . . . 0.502 ' O ' HG12 ' B' ' 54' ' ' VAL . 5.2 m -71.42 -30.03 37.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 178.198 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -61.44 -26.44 67.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.564 -1.198 . . . . 0.0 109.833 178.294 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.516 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -52.33 -37.92 57.23 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.987 -1.006 . . . . 0.0 111.689 -177.106 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.593 HG13 ' N ' ' B' ' 55' ' ' ASP . 7.7 p -59.99 -43.92 93.54 Favored 'Isoleucine or valine' 0 C--O 1.238 0.47 0 C-N-CA 119.094 -1.043 . . . . 0.0 109.904 179.186 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.593 ' N ' HG13 ' B' ' 54' ' ' VAL . 88.5 m-20 -62.45 -43.42 98.85 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.107 179.116 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -60.92 -39.54 89.79 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.409 179.523 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.516 HG23 ' O ' ' B' ' 53' ' ' ALA . 76.2 t -65.74 -45.19 92.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.804 -179.601 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.503 ' CE ' ' O ' ' B' ' 67' ' ' GLY . 0.3 OUTLIER -70.84 -34.8 72.05 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 -178.763 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 59' ' ' LYS . . . . . 0.409 ' N ' ' HG3' ' B' ' 58' ' ' MET . 13.9 mtmt -60.11 -40.9 91.28 Favored 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 113.261 0.837 . . . . 0.0 113.261 -178.306 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -71.73 -36.71 70.57 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 119.59 -0.844 . . . . 0.0 110.696 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 93.2 mt -67.72 -34.45 76.89 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.212 179.675 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.604 ' OD2' ' N ' ' B' ' 67' ' ' GLY . 50.7 t0 -75.46 93.11 2.92 Favored 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 118.714 -1.194 . . . . 0.0 111.244 -178.088 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 79.5 tt0 -63.91 -45.73 87.98 Favored 'General case' 0 CA--C 1.508 -0.642 0 CA-C-O 122.604 1.193 . . . . 0.0 111.165 177.063 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -59.12 -33.36 70.78 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-N 112.549 -2.114 . . . . 0.0 112.536 -178.786 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.42 19.29 66.77 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 108.025 -2.03 . . . . 0.0 108.025 -177.024 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.589 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 48.7 p30 -86.63 5.57 35.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 114.258 -0.971 . . . . 0.0 112.471 -178.472 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.604 ' N ' ' OD2' ' B' ' 62' ' ' ASP . . . 64.23 -2.41 2.26 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.271 -1.132 . . . . 0.0 110.271 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.513 ' H ' ' C ' ' B' ' 66' ' ' ASP . 37.1 tp10 -114.73 140.59 48.75 Favored 'General case' 0 C--O 1.24 0.604 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 -179.637 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 48.3 t -102.34 132.72 47.8 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.405 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 -179.315 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.495 ' OD1' ' C ' ' B' ' 70' ' ' ASP . 29.4 p30 -101.43 172.19 7.13 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 120.327 -0.549 . . . . 0.0 110.98 -178.55 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.425 ' CG ' ' CE2' ' B' ' 15' ' ' PHE . 0.9 OUTLIER -54.37 -45.36 72.79 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.795 -178.502 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -61.53 -41.31 97.13 Favored 'General case' 0 C--O 1.244 0.804 0 C-N-CA 119.952 -0.699 . . . . 0.0 111.78 -179.596 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.469 ' O ' HG22 ' B' ' 76' ' ' VAL . 94.6 mt-10 -64.62 -41.99 95.81 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-O 122.202 1.001 . . . . 0.0 109.97 179.485 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -63.46 -40.89 98.32 Favored 'General case' 0 C--O 1.241 0.644 0 CA-C-N 114.804 -1.089 . . . . 0.0 110.197 178.128 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.611 HG13 ' HB1' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -60.24 -47.49 91.98 Favored 'Isoleucine or valine' 0 C--O 1.248 1.005 0 CA-C-N 113.931 -1.486 . . . . 0.0 109.831 -178.972 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.469 HG22 ' O ' ' B' ' 73' ' ' GLU . 15.5 m -67.34 -34.51 69.37 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.531 0 C-N-CA 117.735 -1.586 . . . . 0.0 109.12 178.481 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 47.9 tp -55.66 -51.82 65.94 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 118.785 -1.166 . . . . 0.0 112.049 178.124 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 34.7 m -69.49 -35.49 66.89 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.263 0 C-N-CA 118.552 -1.259 . . . . 0.0 111.796 -178.782 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.715 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . . . -68.44 -48.13 65.37 Favored 'General case' 0 C--O 1.249 1.061 0 C-N-CA 118.923 -1.111 . . . . 0.0 111.714 -179.608 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.9 -39.93 96.0 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.036 179.627 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 5.8 mp -65.58 -34.56 78.52 Favored 'General case' 0 C--O 1.22 -0.45 0 C-N-CA 119.244 -0.982 . . . . 0.0 109.903 176.641 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 36.8 m -62.89 -50.45 70.83 Favored 'General case' 0 C--O 1.247 0.948 0 C-N-CA 119.578 -0.849 . . . . 0.0 111.163 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 13.5 p -63.88 -38.34 82.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 C-N-CA 119.121 -1.031 . . . . 0.0 110.522 178.65 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.49 -30.37 71.14 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 121.135 0.493 . . . . 0.0 110.06 178.839 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 12.4 t -69.07 -54.25 16.08 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.429 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -55.87 -40.98 73.7 Favored 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 118.396 -1.322 . . . . 0.0 108.378 178.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -59.88 -37.42 79.33 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.962 177.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.529 ' O ' ' O ' ' B' ' 91' ' ' GLU . 67.3 t80 -63.33 -46.97 84.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -65.7 -52.4 51.68 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 120.266 -0.574 . . . . 0.0 111.949 -179.186 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 90' ' ' TRP . . . . . 0.495 ' CD1' ' C ' ' B' ' 90' ' ' TRP . 21.1 t-105 -63.35 -39.3 94.16 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.277 0.56 . . . . 0.0 112.301 179.766 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 91' ' ' GLU . . . . . 0.529 ' O ' ' O ' ' B' ' 88' ' ' PHE . 2.9 tm-20 . . . . . 0 C--N 1.319 -0.754 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.124 -177.289 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 . . . . . 0 C--O 1.24 0.579 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.622 ' O ' HD23 ' A' ' 4' ' ' LEU . 1.7 tt -61.74 -41.65 97.93 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 118.982 -1.087 . . . . 0.0 108.408 -178.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -65.14 -37.69 88.23 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.523 178.061 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.7 m -59.59 -42.21 92.05 Favored 'General case' 0 C--O 1.239 0.511 0 C-N-CA 119.837 -0.745 . . . . 0.0 109.356 179.495 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.85 -45.09 91.07 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.114 179.123 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.406 ' SD ' HD22 ' A' ' 4' ' ' LEU . 99.4 mtp -60.18 -40.83 91.37 Favored 'General case' 0 C--O 1.245 0.868 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.362 179.615 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.56 -36.58 84.69 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 120.174 -0.611 . . . . 0.0 109.513 177.754 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 58.6 m -63.86 -42.03 97.64 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 119.529 -0.869 . . . . 0.0 110.036 178.686 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.471 ' HB2' HG21 ' B' ' 82' ' ' THR . 37.2 mt -59.12 -43.21 91.95 Favored 'General case' 0 C--O 1.241 0.634 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 179.774 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 98.4 mt -62.09 -45.16 99.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 114.726 -1.124 . . . . 0.0 111.893 178.726 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -61.16 -41.24 96.42 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -178.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.1 m -72.91 -37.76 54.98 Favored 'Isoleucine or valine' 0 C--O 1.255 1.348 0 C-N-CA 118.915 -1.114 . . . . 0.0 110.135 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.744 ' HA ' ' CE1' ' A' ' 18' ' ' HIS . 86.4 t80 -59.77 -42.56 93.6 Favored 'General case' 0 C--O 1.241 0.623 0 C-N-CA 119.206 -0.997 . . . . 0.0 109.926 177.357 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -67.85 -35.26 78.24 Favored 'General case' 0 N--CA 1.437 -1.108 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.82 177.696 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.587 ' O ' ' HB2' ' A' ' 21' ' ' LYS . . . -59.29 -50.59 73.39 Favored 'General case' 0 N--CA 1.437 -1.099 0 C-N-CA 118.929 -1.108 . . . . 0.0 111.235 -178.325 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.744 ' CE1' ' HA ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -81.31 -48.99 11.26 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 117.218 -1.793 . . . . 0.0 113.767 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.439 ' OG ' ' O ' ' A' ' 25' ' ' LYS . 23.2 t -60.92 -40.23 92.39 Favored 'General case' 0 C--N 1.351 0.636 0 C-N-CA 118.458 -1.297 . . . . 0.0 109.829 -179.479 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -73.54 -44.93 31.16 Favored Glycine 0 C--N 1.343 0.956 0 CA-C-N 115.777 -0.647 . . . . 0.0 112.449 179.061 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.587 ' HB2' ' O ' ' A' ' 17' ' ' ALA . 5.8 ttpm? -58.8 -43.34 90.53 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.124 -0.63 . . . . 0.0 111.291 -179.579 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.505 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 97.0 mt-10 -132.78 145.4 50.97 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 120.563 -0.455 . . . . 0.0 111.303 178.339 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.66 -162.98 54.38 Favored Glycine 0 CA--C 1.521 0.464 0 N-CA-C 111.384 -0.686 . . . . 0.0 111.384 178.006 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -68.88 143.66 54.45 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 178.215 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.439 ' O ' ' OG ' ' A' ' 19' ' ' SER . 25.5 mtmm -60.05 -32.14 70.64 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 -177.645 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.601 ' OH ' ' CE3' ' B' ' 90' ' ' TRP . 98.3 m-85 -107.29 19.69 19.99 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 113.342 0.868 . . . . 0.0 113.342 -178.065 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.421 ' HZ3' ' HG2' ' A' ' 68' ' ' GLU . 16.7 tptm -139.65 140.36 36.9 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 119.103 -1.039 . . . . 0.0 109.23 179.509 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.656 HD11 ' CD2' ' A' ' 18' ' ' HIS . 17.8 tp -117.65 130.7 56.53 Favored 'General case' 0 CA--C 1.528 0.112 0 C-N-CA 120.555 -0.458 . . . . 0.0 111.984 -177.074 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.463 ' CA ' ' OE2' ' A' ' 68' ' ' GLU . 80.9 p -105.07 166.08 10.64 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 179.314 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.4 ttpm? -52.98 -47.0 68.51 Favored 'General case' 0 C--O 1.241 0.634 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 -177.077 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.583 ' HG3' ' N ' ' A' ' 32' ' ' GLU . 51.2 pttt -59.5 -46.51 88.62 Favored 'General case' 0 N--CA 1.439 -1.0 0 C-N-CA 119.729 -0.788 . . . . 0.0 109.885 -178.501 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.583 ' N ' ' HG3' ' A' ' 31' ' ' LYS . 93.0 mt-10 -61.3 -51.29 69.5 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 119.845 -0.742 . . . . 0.0 111.798 -177.834 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.07 -37.27 76.68 Favored 'General case' 0 CA--C 1.507 -0.679 0 C-N-CA 116.954 -1.898 . . . . 0.0 109.363 178.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.0 tptm -54.13 -36.36 63.19 Favored 'General case' 0 N--CA 1.439 -1.004 0 C-N-CA 118.152 -1.419 . . . . 0.0 108.197 -179.438 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.888 ' O ' HG23 ' A' ' 39' ' ' THR . 76.9 mm-40 -73.8 -43.37 59.07 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 120.114 -0.634 . . . . 0.0 112.523 178.784 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.82 ' O ' HD23 ' A' ' 36' ' ' LEU . 5.9 tt -67.03 -46.68 73.7 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 118.48 -1.288 . . . . 0.0 111.977 -177.349 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.55 ' O ' ' O ' ' A' ' 41' ' ' LEU . 2.9 mm? -59.35 -43.38 92.79 Favored 'General case' 0 CA--C 1.514 -0.418 0 C-N-CA 118.463 -1.295 . . . . 0.0 110.368 -178.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -64.13 -38.98 93.01 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.244 -0.582 . . . . 0.0 111.604 178.758 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.888 HG23 ' O ' ' A' ' 35' ' ' GLU . 61.9 p -71.54 -34.43 70.02 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 -179.091 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -101.01 -57.66 2.05 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 112.654 0.612 . . . . 0.0 112.654 -179.121 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.55 ' O ' ' O ' ' A' ' 37' ' ' LEU . 30.5 mt -96.68 143.29 27.77 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.183 0.516 . . . . 0.0 111.09 -178.325 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.53 ' OG ' ' N ' ' A' ' 43' ' ' GLY . 90.6 p -111.57 -76.72 0.59 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.773 179.371 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.53 ' N ' ' OG ' ' A' ' 42' ' ' SER . . . -57.15 -36.03 72.89 Favored Glycine 0 CA--C 1.532 1.094 0 CA-C-N 115.663 -0.699 . . . . 0.0 114.021 -178.613 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -60.49 -57.78 11.27 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 118.196 0.998 . . . . 0.0 112.543 -177.605 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.463 ' O ' HD13 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -72.88 -40.59 65.47 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-O 121.703 0.763 . . . . 0.0 110.037 -179.794 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.433 ' CB ' ' O ' ' A' ' 42' ' ' SER . 59.5 t0 -62.5 -29.94 70.91 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 114.549 -1.205 . . . . 0.0 113.069 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.5 ' HB2' ' O ' ' A' ' 43' ' ' GLY . . . -54.69 -34.13 61.87 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -176.116 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 91.6 mm-40 -62.31 -36.33 81.82 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 119.532 -0.867 . . . . 0.0 109.199 179.655 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.536 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 98.2 mttt 61.37 36.3 17.53 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.172 -0.922 . . . . 0.0 112.92 178.776 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.536 ' OD1' ' O ' ' A' ' 49' ' ' LYS . 92.3 m-20 -144.66 149.02 34.96 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 120.974 -0.291 . . . . 0.0 110.561 178.167 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.562 ' O ' HG12 ' A' ' 54' ' ' VAL . 6.8 m -72.84 -32.65 41.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 N-CA-C 108.955 -0.758 . . . . 0.0 108.955 178.151 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -62.01 -30.04 70.68 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 114.832 -1.076 . . . . 0.0 110.529 178.39 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.546 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -53.42 -37.24 62.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.194 -0.912 . . . . 0.0 112.298 -176.825 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.562 HG12 ' O ' ' A' ' 51' ' ' VAL . 9.0 p -61.24 -43.59 96.77 Favored 'Isoleucine or valine' 0 C--O 1.24 0.598 0 C-N-CA 118.678 -1.209 . . . . 0.0 109.999 179.154 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.554 ' N ' HG13 ' A' ' 54' ' ' VAL . 92.5 m-20 -61.92 -43.47 98.78 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.06 179.055 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 55.7 mttm -62.25 -39.25 92.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.378 179.198 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 53' ' ' ALA . 61.6 t -65.32 -44.19 94.87 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.475 0 CA-C-N 115.504 -0.771 . . . . 0.0 112.644 -178.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.428 ' CE ' ' O ' ' A' ' 67' ' ' GLY . 0.0 OUTLIER -66.27 -32.68 74.24 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 119.262 -0.975 . . . . 0.0 113.545 -179.011 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 36.2 mmtt -60.1 -41.35 92.37 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 -178.441 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -72.36 -35.43 68.51 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 119.417 -0.913 . . . . 0.0 110.572 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 79.3 mt -67.33 -34.84 78.19 Favored 'General case' 0 CA--C 1.509 -0.612 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.456 179.591 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.538 ' OD2' ' N ' ' A' ' 66' ' ' ASP . 41.2 t0 -71.61 78.15 0.82 Allowed 'General case' 0 N--CA 1.443 -0.789 0 C-N-CA 118.954 -1.098 . . . . 0.0 110.841 -178.235 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -64.09 -38.21 90.25 Favored 'General case' 0 CA--C 1.501 -0.916 0 CA-C-O 123.156 1.455 . . . . 0.0 107.399 176.227 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.473 ' OD1' ' CG ' ' A' ' 66' ' ' ASP . 17.3 t-20 -58.39 -39.4 79.55 Favored 'General case' 0 N--CA 1.432 -1.336 0 CA-C-N 111.568 -2.56 . . . . 0.0 112.122 178.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.511 ' H ' ' CG ' ' A' ' 62' ' ' ASP . . . 87.33 12.99 66.54 Favored Glycine 0 CA--C 1.533 1.188 0 C-N-CA 121.136 -0.554 . . . . 0.0 112.753 178.801 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.538 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 55.0 p30 -91.18 5.47 48.92 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 -179.689 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.428 ' O ' ' CE ' ' A' ' 58' ' ' MET . . . 71.22 1.95 45.15 Favored Glycine 0 N--CA 1.466 0.686 0 N-CA-C 110.092 -1.203 . . . . 0.0 110.092 179.628 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.478 ' OE2' ' C ' ' A' ' 28' ' ' LEU . 44.2 tp10 -117.33 144.24 45.11 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 -179.687 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.419 ' HA ' ' OE1' ' A' ' 73' ' ' GLU . 59.7 t -99.65 132.5 45.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 C-N-CA 120.691 -0.404 . . . . 0.0 109.991 -178.805 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.504 ' C ' ' OD1' ' A' ' 70' ' ' ASP . 16.8 p30 -104.75 171.65 7.21 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 119.938 -0.705 . . . . 0.0 110.075 -179.339 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -53.84 -45.0 70.77 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.368 -178.634 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -61.34 -40.28 93.65 Favored 'General case' 0 C--O 1.243 0.762 0 C-N-CA 120.034 -0.666 . . . . 0.0 111.545 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.482 ' O ' HG22 ' A' ' 76' ' ' VAL . 79.3 mt-10 -64.62 -42.49 95.46 Favored 'General case' 0 C--O 1.243 0.734 0 CA-C-O 122.105 0.955 . . . . 0.0 109.887 179.744 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -63.42 -41.23 98.69 Favored 'General case' 0 C--O 1.245 0.862 0 CA-C-O 122.413 1.101 . . . . 0.0 110.448 177.815 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.623 HG13 ' HB1' ' B' ' 79' ' ' ALA . 0.5 OUTLIER -59.51 -47.91 89.17 Favored 'Isoleucine or valine' 0 C--O 1.251 1.162 0 CA-C-N 113.802 -1.545 . . . . 0.0 109.77 -179.11 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.482 HG22 ' O ' ' A' ' 73' ' ' GLU . 15.3 m -67.48 -34.46 68.63 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.604 0 C-N-CA 117.856 -1.538 . . . . 0.0 109.245 178.513 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.537 ' O ' HD13 ' A' ' 81' ' ' LEU . 35.3 tp -55.36 -51.94 65.13 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 118.593 -1.243 . . . . 0.0 111.605 178.06 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 34.9 m -68.55 -36.12 73.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 C-N-CA 118.151 -1.419 . . . . 0.0 111.692 -178.81 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.734 ' HB2' ' HB2' ' B' ' 79' ' ' ALA . . . -67.78 -48.57 65.96 Favored 'General case' 0 C--O 1.251 1.171 0 C-N-CA 118.816 -1.154 . . . . 0.0 112.043 -179.283 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.14 -39.9 96.03 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.153 179.667 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.537 HD13 ' O ' ' A' ' 77' ' ' LEU . 9.4 mp -64.66 -34.85 79.25 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 119.139 -1.024 . . . . 0.0 109.832 176.642 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.469 HG21 ' HB2' ' B' ' 11' ' ' LEU . 52.3 m -63.0 -50.06 72.2 Favored 'General case' 0 C--O 1.246 0.891 0 C-N-CA 119.752 -0.779 . . . . 0.0 111.633 179.463 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 14.5 p -63.21 -38.73 82.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 118.894 -1.122 . . . . 0.0 110.321 178.564 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.87 -30.97 71.99 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 121.188 0.518 . . . . 0.0 109.859 178.604 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 36.0 t -67.8 -54.81 16.2 Favored 'General case' 0 CA--C 1.509 -0.601 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.734 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -56.75 -42.83 79.99 Favored 'General case' 0 C--O 1.24 0.575 0 C-N-CA 118.669 -1.212 . . . . 0.0 109.508 179.631 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -59.93 -38.18 81.63 Favored 'General case' 0 C--O 1.22 -0.465 0 C-N-CA 119.955 -0.698 . . . . 0.0 109.338 178.669 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.523 ' O ' ' O ' ' A' ' 91' ' ' GLU . 67.1 t80 -62.29 -45.61 92.5 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.184 -179.64 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -66.41 -54.88 19.23 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.389 -0.525 . . . . 0.0 112.149 -179.048 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.615 ' CE3' ' OH ' ' B' ' 26' ' ' TYR . 25.2 t-105 -64.87 -40.46 95.16 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.191 0.52 . . . . 0.0 112.355 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.523 ' O ' ' O ' ' A' ' 88' ' ' PHE . 1.5 tm-20 . . . . . 0 C--N 1.32 -0.702 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.567 -178.098 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 . . . . . 0 C--O 1.24 0.59 0 N-CA-C 112.862 0.69 . . . . 0.0 112.862 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.625 ' O ' HD23 ' B' ' 4' ' ' LEU . 1.7 tt -61.79 -41.53 97.85 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 118.96 -1.096 . . . . 0.0 108.461 -178.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -65.17 -37.74 88.34 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.555 178.015 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 46.1 m -59.63 -42.1 91.93 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 119.84 -0.744 . . . . 0.0 109.289 179.522 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.0 -44.98 90.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.116 179.195 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 8' ' ' MET . . . . . 0.414 ' SD ' HD22 ' B' ' 4' ' ' LEU . 99.3 mtp -60.22 -40.7 91.07 Favored 'General case' 0 C--O 1.246 0.895 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.446 179.564 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.6 -37.3 87.1 Favored 'General case' 0 CA--C 1.51 -0.581 0 C-N-CA 120.026 -0.67 . . . . 0.0 109.417 177.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 56.8 m -62.98 -42.3 99.8 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 119.634 -0.826 . . . . 0.0 110.224 178.495 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.469 ' HB2' HG21 ' A' ' 82' ' ' THR . 42.4 mt -59.22 -43.03 92.32 Favored 'General case' 0 C--O 1.241 0.643 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 179.79 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 98.3 mt -62.14 -45.06 99.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 114.758 -1.11 . . . . 0.0 111.892 178.659 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -61.27 -41.19 96.52 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -178.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 17.3 m -72.92 -37.79 54.94 Favored 'Isoleucine or valine' 0 C--O 1.254 1.331 0 C-N-CA 118.928 -1.109 . . . . 0.0 110.136 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.581 ' O ' ' HD2' ' B' ' 18' ' ' HIS . 86.5 t80 -59.78 -42.54 93.55 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-O 122.235 1.017 . . . . 0.0 109.906 177.368 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -67.91 -35.18 78.01 Favored 'General case' 0 N--CA 1.437 -1.113 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.806 177.764 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.582 ' O ' ' HB2' ' B' ' 21' ' ' LYS . . . -59.38 -50.62 73.24 Favored 'General case' 0 N--CA 1.438 -1.07 0 C-N-CA 118.987 -1.085 . . . . 0.0 111.204 -178.342 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.694 ' CG ' HD12 ' B' ' 36' ' ' LEU . 0.5 OUTLIER -81.28 -49.01 11.26 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 117.245 -1.782 . . . . 0.0 113.718 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.611 ' H ' ' CD2' ' B' ' 18' ' ' HIS . 23.3 t -60.95 -40.29 92.74 Favored 'General case' 0 C--N 1.352 0.701 0 C-N-CA 118.439 -1.305 . . . . 0.0 109.805 -179.438 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -73.44 -44.81 32.2 Favored Glycine 0 C--N 1.343 0.942 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.516 179.039 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 21' ' ' LYS . . . . . 0.582 ' HB2' ' O ' ' B' ' 17' ' ' ALA . 5.8 ttpm? -58.86 -43.36 90.81 Favored 'General case' 0 N--CA 1.463 0.184 0 C-N-CA 120.032 -0.667 . . . . 0.0 111.255 -179.613 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.512 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 97.0 mt-10 -132.72 145.48 51.07 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 120.538 -0.465 . . . . 0.0 111.256 178.406 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.7 -163.01 54.39 Favored Glycine 0 CA--C 1.521 0.468 0 N-CA-C 111.405 -0.678 . . . . 0.0 111.405 177.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -68.88 143.48 54.5 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 178.124 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.439 ' O ' ' OG ' ' B' ' 19' ' ' SER . 25.6 mtmm -60.0 -32.17 70.61 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -177.559 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.615 ' OH ' ' CE3' ' A' ' 90' ' ' TRP . 98.4 m-85 -107.21 19.66 20.05 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 -178.089 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.424 ' HZ3' ' HG2' ' B' ' 68' ' ' GLU . 16.3 tptm -139.65 140.48 36.94 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 119.034 -1.066 . . . . 0.0 109.254 179.444 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.466 ' C ' ' OE2' ' B' ' 68' ' ' GLU . 17.8 tp -117.69 130.74 56.53 Favored 'General case' 0 C--N 1.333 -0.123 0 C-N-CA 120.544 -0.463 . . . . 0.0 112.009 -177.126 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.471 ' CA ' ' OE2' ' B' ' 68' ' ' GLU . 82.3 p -105.0 166.02 10.67 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 179.289 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 6.4 ttpm? -52.87 -47.08 68.07 Favored 'General case' 0 C--O 1.24 0.566 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -177.182 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.594 ' HG3' ' N ' ' B' ' 32' ' ' GLU . 51.2 pttt -59.61 -46.51 88.76 Favored 'General case' 0 N--CA 1.44 -0.971 0 C-N-CA 119.651 -0.82 . . . . 0.0 109.767 -178.438 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.594 ' N ' ' HG3' ' B' ' 31' ' ' LYS . 93.0 mt-10 -61.22 -51.32 69.47 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 119.82 -0.752 . . . . 0.0 111.81 -177.864 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.07 -37.31 76.78 Favored 'General case' 0 CA--C 1.508 -0.637 0 C-N-CA 117.079 -1.848 . . . . 0.0 109.316 179.022 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 12.0 tptm -54.11 -36.33 63.12 Favored 'General case' 0 N--CA 1.439 -1.023 0 C-N-CA 118.164 -1.415 . . . . 0.0 108.219 -179.465 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.893 ' O ' HG23 ' B' ' 39' ' ' THR . 76.8 mm-40 -73.86 -43.48 58.47 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 120.087 -0.645 . . . . 0.0 112.437 178.848 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.83 ' O ' HD23 ' B' ' 36' ' ' LEU . 5.8 tt -66.83 -46.74 74.2 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 118.548 -1.261 . . . . 0.0 112.03 -177.392 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.557 ' O ' ' O ' ' B' ' 41' ' ' LEU . 2.9 mm? -59.38 -43.32 92.92 Favored 'General case' 0 CA--C 1.516 -0.357 0 C-N-CA 118.49 -1.284 . . . . 0.0 110.366 -178.881 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -64.21 -38.97 92.97 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.262 -0.575 . . . . 0.0 111.575 178.783 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.893 HG23 ' O ' ' B' ' 35' ' ' GLU . 61.9 p -71.57 -34.35 69.86 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 -179.098 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -101.01 -57.81 2.02 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 -179.11 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.557 ' O ' ' O ' ' B' ' 37' ' ' LEU . 30.4 mt -96.66 143.33 27.72 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.24 0.543 . . . . 0.0 111.126 -178.305 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.524 ' OG ' ' N ' ' B' ' 43' ' ' GLY . 91.6 p -111.55 -76.77 0.59 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.757 179.43 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 43' ' ' GLY . . . . . 0.524 ' N ' ' OG ' ' B' ' 42' ' ' SER . . . -57.1 -36.06 72.67 Favored Glycine 0 CA--C 1.532 1.143 0 CA-C-N 115.588 -0.733 . . . . 0.0 113.96 -178.593 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -60.47 -57.72 11.52 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 118.209 1.004 . . . . 0.0 112.592 -177.598 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.456 HD13 ' O ' ' B' ' 45' ' ' LEU . 0.2 OUTLIER -72.95 -40.58 65.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.732 0.777 . . . . 0.0 109.978 -179.796 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.444 ' CB ' ' O ' ' B' ' 42' ' ' SER . 59.6 t0 -62.59 -29.95 70.97 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 114.575 -1.193 . . . . 0.0 113.058 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 47' ' ' ALA . . . . . 0.495 ' HB2' ' O ' ' B' ' 43' ' ' GLY . . . -54.6 -34.18 61.59 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -176.215 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 91.6 mm-40 -62.26 -36.37 81.86 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 119.528 -0.869 . . . . 0.0 109.233 179.647 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.557 ' O ' ' OD1' ' B' ' 50' ' ' ASP . 98.2 mttt 61.46 36.3 17.24 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.127 -0.942 . . . . 0.0 112.862 178.74 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 50' ' ' ASP . . . . . 0.557 ' OD1' ' O ' ' B' ' 49' ' ' LYS . 92.2 m-20 -144.67 148.99 34.9 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 120.931 -0.307 . . . . 0.0 110.605 178.179 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 51' ' ' VAL . . . . . 0.563 ' O ' HG12 ' B' ' 54' ' ' VAL . 7.1 m -72.82 -32.72 41.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 178.221 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -62.04 -29.96 70.64 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 114.921 -1.036 . . . . 0.0 110.491 178.51 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.537 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -53.42 -37.27 62.37 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.19 -0.914 . . . . 0.0 112.302 -176.82 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.563 HG12 ' O ' ' B' ' 51' ' ' VAL . 9.2 p -61.24 -43.64 96.86 Favored 'Isoleucine or valine' 0 C--O 1.241 0.65 0 C-N-CA 118.755 -1.178 . . . . 0.0 109.881 179.254 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.546 ' N ' HG13 ' B' ' 54' ' ' VAL . 92.2 m-20 -61.87 -43.61 98.5 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.06 179.049 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 55.8 mttm -62.04 -39.31 91.9 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.444 179.15 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.537 HG23 ' O ' ' B' ' 53' ' ' ALA . 62.1 t -65.3 -44.31 94.9 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.427 0 CA-C-N 115.435 -0.802 . . . . 0.0 112.589 -178.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.427 ' CE ' ' O ' ' B' ' 67' ' ' GLY . 0.0 OUTLIER -66.14 -32.76 74.39 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 119.291 -0.964 . . . . 0.0 113.546 -179.001 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 36.1 mmtt -60.13 -41.34 92.46 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 113.129 0.789 . . . . 0.0 113.129 -178.35 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -72.33 -35.42 68.57 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 119.435 -0.906 . . . . 0.0 110.556 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 79.3 mt -67.38 -34.74 77.9 Favored 'General case' 0 CA--C 1.509 -0.612 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.504 179.654 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.541 ' OD2' ' N ' ' B' ' 66' ' ' ASP . 41.2 t0 -71.73 78.22 0.85 Allowed 'General case' 0 N--CA 1.442 -0.85 0 C-N-CA 118.91 -1.116 . . . . 0.0 110.787 -178.187 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -64.06 -38.19 90.17 Favored 'General case' 0 CA--C 1.5 -0.946 0 CA-C-O 123.13 1.443 . . . . 0.0 107.386 176.202 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.476 ' OD1' ' OD2' ' B' ' 66' ' ' ASP . 17.3 t-20 -58.51 -39.37 79.91 Favored 'General case' 0 C--N 1.305 -1.347 0 CA-C-N 111.575 -2.557 . . . . 0.0 112.141 179.057 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.514 ' H ' ' CG ' ' B' ' 62' ' ' ASP . . . 87.42 12.95 66.4 Favored Glycine 0 CA--C 1.533 1.186 0 C-N-CA 121.176 -0.535 . . . . 0.0 112.711 178.726 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.541 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 54.8 p30 -91.09 5.41 49.06 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -179.614 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.427 ' O ' ' CE ' ' B' ' 58' ' ' MET . . . 71.13 1.97 44.72 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.138 -1.185 . . . . 0.0 110.138 179.735 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.471 ' OE2' ' CA ' ' B' ' 29' ' ' SER . 43.8 tp10 -117.39 144.33 45.07 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 -179.647 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.423 ' HA ' ' OE1' ' B' ' 73' ' ' GLU . 59.9 t -99.77 132.63 44.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 C-N-CA 120.645 -0.422 . . . . 0.0 109.983 -178.732 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.511 ' OD1' ' C ' ' B' ' 70' ' ' ASP . 17.4 p30 -104.71 171.56 7.26 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 120.026 -0.67 . . . . 0.0 110.094 -179.33 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -53.87 -45.0 70.89 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.318 -178.666 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -61.35 -40.21 93.46 Favored 'General case' 0 C--O 1.244 0.783 0 C-N-CA 120.009 -0.677 . . . . 0.0 111.637 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.476 ' O ' HG22 ' B' ' 76' ' ' VAL . 79.3 mt-10 -64.59 -42.48 95.57 Favored 'General case' 0 C--O 1.242 0.661 0 CA-C-O 122.11 0.957 . . . . 0.0 109.908 179.665 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -63.42 -41.31 98.69 Favored 'General case' 0 C--O 1.244 0.785 0 CA-C-O 122.462 1.125 . . . . 0.0 110.446 177.809 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.621 HG13 ' HB1' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -59.53 -47.81 89.56 Favored 'Isoleucine or valine' 0 C--O 1.252 1.189 0 CA-C-N 113.725 -1.58 . . . . 0.0 109.74 -179.042 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.476 HG22 ' O ' ' B' ' 73' ' ' GLU . 15.3 m -67.6 -34.35 67.63 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.588 0 C-N-CA 117.792 -1.563 . . . . 0.0 109.277 178.534 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.536 ' O ' HD13 ' B' ' 81' ' ' LEU . 34.9 tp -55.38 -51.93 65.22 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 118.576 -1.25 . . . . 0.0 111.619 178.046 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 34.8 m -68.5 -36.15 73.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 C-N-CA 118.168 -1.413 . . . . 0.0 111.733 -178.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.734 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . . . -67.79 -48.52 66.06 Favored 'General case' 0 C--O 1.252 1.207 0 C-N-CA 118.883 -1.127 . . . . 0.0 112.052 -179.313 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.21 -39.89 95.93 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.536 HD13 ' O ' ' B' ' 77' ' ' LEU . 9.3 mp -64.58 -34.95 79.44 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 119.091 -1.044 . . . . 0.0 109.796 176.636 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.471 HG21 ' HB2' ' A' ' 11' ' ' LEU . 52.9 m -62.95 -50.02 72.44 Favored 'General case' 0 C--O 1.246 0.889 0 C-N-CA 119.776 -0.77 . . . . 0.0 111.592 179.65 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 14.5 p -63.21 -38.74 82.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 118.927 -1.109 . . . . 0.0 110.296 178.561 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.99 -30.84 71.86 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-O 121.198 0.523 . . . . 0.0 109.865 178.645 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 36.1 t -67.85 -54.8 16.16 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.707 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -56.65 -42.93 79.77 Favored 'General case' 0 C--O 1.238 0.494 0 C-N-CA 118.669 -1.212 . . . . 0.0 109.611 179.532 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -59.92 -38.22 81.73 Favored 'General case' 0 C--O 1.22 -0.451 0 C-N-CA 119.929 -0.708 . . . . 0.0 109.302 178.658 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.524 ' O ' ' O ' ' B' ' 91' ' ' GLU . 67.3 t80 -62.26 -45.65 92.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.101 -179.613 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -66.41 -54.89 19.15 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 120.39 -0.524 . . . . 0.0 112.125 -178.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 90' ' ' TRP . . . . . 0.601 ' CE3' ' OH ' ' A' ' 26' ' ' TYR . 25.2 t-105 -64.8 -40.54 95.4 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.159 0.504 . . . . 0.0 112.308 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 91' ' ' GLU . . . . . 0.524 ' O ' ' O ' ' B' ' 88' ' ' PHE . 1.5 tm-20 . . . . . 0 C--N 1.32 -0.711 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.674 -178.065 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.617 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.4 m -62.71 154.86 28.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.623 0.249 . . . . 0.0 110.36 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -61.73 -37.55 84.66 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 120.767 -0.373 . . . . 0.0 111.729 -179.406 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.478 ' O ' HD23 ' A' ' 4' ' ' LEU . 5.7 tt -61.05 -41.26 96.27 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 -179.118 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -65.06 -37.59 88.05 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.144 178.44 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 43.9 m -59.31 -40.96 87.89 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 179.048 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.3 -45.94 85.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.357 179.123 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 99.1 mtp -59.85 -41.11 90.72 Favored 'General case' 0 C--O 1.247 0.944 0 CA-C-O 121.581 0.705 . . . . 0.0 109.839 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.17 -35.68 81.83 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.542 -0.753 . . . . 0.0 109.926 177.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 49.4 m -64.03 -42.91 96.92 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 119.73 -0.788 . . . . 0.0 109.913 179.225 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 36.9 mt -61.7 -42.67 99.24 Favored 'General case' 0 C--O 1.241 0.642 0 C-N-CA 119.286 -0.966 . . . . 0.0 108.846 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.9 mt -61.86 -45.18 99.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.994 178.49 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -61.97 -40.61 96.2 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.948 0.721 . . . . 0.0 112.948 -179.044 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.3 m -74.58 -41.55 48.64 Favored 'Isoleucine or valine' 0 C--O 1.255 1.382 0 C-N-CA 119.185 -1.006 . . . . 0.0 111.24 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -60.44 -48.09 83.28 Favored 'General case' 0 CA--C 1.513 -0.465 0 C-N-CA 119.111 -1.035 . . . . 0.0 109.826 177.266 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -63.76 -34.95 79.05 Favored 'General case' 0 CA--C 1.501 -0.926 0 CA-C-N 115.25 -0.887 . . . . 0.0 110.006 178.149 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.541 ' O ' ' HB2' ' A' ' 21' ' ' LYS . . . -57.85 -51.63 68.81 Favored 'General case' 0 N--CA 1.434 -1.231 0 C-N-CA 118.69 -1.204 . . . . 0.0 109.431 -178.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.466 ' HB2' HD12 ' A' ' 36' ' ' LEU . 23.2 m-70 -79.2 -52.18 8.5 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 114.589 1.329 . . . . 0.0 114.589 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.46 ' OG ' ' O ' ' A' ' 25' ' ' LYS . 22.7 t -57.98 -40.9 81.79 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 118.786 -1.166 . . . . 0.0 108.99 -179.23 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.14 -44.16 68.01 Favored Glycine 0 C--N 1.343 0.918 0 CA-C-N 115.223 -0.899 . . . . 0.0 112.097 178.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.541 ' HB2' ' O ' ' A' ' 17' ' ' ALA . 6.0 ttpm? -59.41 -42.21 91.25 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 120.133 -0.627 . . . . 0.0 112.012 -179.22 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.578 ' OE1' ' NZ ' ' A' ' 31' ' ' LYS . 97.2 mt-10 -129.32 151.87 49.49 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.27 -148.22 29.73 Favored Glycine 0 N--CA 1.464 0.552 0 CA-C-N 115.778 -0.646 . . . . 0.0 112.341 177.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -71.14 139.54 50.28 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 179.307 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.46 ' O ' ' OG ' ' A' ' 19' ' ' SER . 33.9 mtmt -61.62 -32.45 72.59 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.814 -178.141 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.591 ' OH ' ' CD2' ' B' ' 90' ' ' TRP . 96.2 m-85 -106.7 20.12 19.48 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -177.445 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.55 ' NZ ' ' OD2' ' A' ' 66' ' ' ASP . 3.9 tptt -137.97 137.83 38.32 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 119.437 -0.905 . . . . 0.0 109.017 178.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.5 tp -112.12 128.55 56.25 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 -178.621 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 92.6 p -101.31 166.8 10.57 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 116.69 -0.232 . . . . 0.0 110.882 -179.147 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.6 ttpt -53.42 -48.35 68.81 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-O 121.057 0.456 . . . . 0.0 112.077 -177.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.58 ' HG3' ' N ' ' A' ' 32' ' ' GLU . 17.5 pttp -61.05 -48.49 81.5 Favored 'General case' 0 N--CA 1.441 -0.899 0 C-N-CA 119.887 -0.725 . . . . 0.0 110.111 -178.606 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.58 ' N ' ' HG3' ' A' ' 31' ' ' LYS . 95.1 mt-10 -63.06 -49.91 72.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.244 -178.407 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.49 HD22 HG21 ' A' ' 69' ' ' VAL . 1.2 pp -60.97 -35.69 77.45 Favored 'General case' 0 CA--C 1.498 -1.033 0 C-N-CA 118.7 -1.2 . . . . 0.0 109.921 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.6 tptm -55.49 -37.04 67.3 Favored 'General case' 0 N--CA 1.433 -1.302 0 C-N-CA 118.11 -1.436 . . . . 0.0 108.37 178.452 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.776 ' O ' HG23 ' A' ' 39' ' ' THR . 96.6 mt-10 -75.9 -41.29 52.44 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 112.984 0.735 . . . . 0.0 112.984 179.574 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.756 ' O ' HD23 ' A' ' 36' ' ' LEU . 2.7 tt -65.14 -45.45 84.97 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 120.416 -0.514 . . . . 0.0 111.563 -177.118 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.565 ' N ' ' CD2' ' A' ' 37' ' ' LEU . 1.2 mm? -64.54 -42.78 95.51 Favored 'General case' 0 CA--C 1.521 -0.164 0 C-N-CA 118.536 -1.266 . . . . 0.0 111.243 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -64.5 -39.54 93.98 Favored 'General case' 0 C--O 1.232 0.142 0 C-N-CA 119.942 -0.703 . . . . 0.0 111.861 179.499 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.776 HG23 ' O ' ' A' ' 35' ' ' GLU . 66.2 p -70.4 -38.21 74.6 Favored 'General case' 0 C--O 1.232 0.134 0 C-N-CA 120.046 -0.661 . . . . 0.0 111.577 -179.46 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -92.25 -52.97 4.43 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.539 ' O ' ' O ' ' A' ' 37' ' ' LEU . 30.9 mt -104.17 141.59 35.98 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 121.138 0.494 . . . . 0.0 111.136 -179.336 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 m -113.38 -68.26 0.94 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.511 179.195 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.42 -37.66 88.58 Favored Glycine 0 CA--C 1.53 0.993 0 CA-C-N 115.521 -0.763 . . . . 0.0 113.853 -178.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -60.26 -53.02 62.62 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 118.086 0.943 . . . . 0.0 112.085 -178.028 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -75.76 -40.1 55.93 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 120.359 -0.536 . . . . 0.0 111.324 178.407 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -60.45 -33.34 72.41 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.417 -179.198 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.12 -34.77 70.58 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 -177.427 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.471 ' C ' ' H ' ' A' ' 50' ' ' ASP . 93.6 mm-40 -61.73 -34.41 75.75 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.123 -0.631 . . . . 0.0 109.637 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 79.5 tttt 67.59 -32.48 0.2 Allowed 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.299 -0.864 . . . . 0.0 112.095 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.471 ' H ' ' C ' ' A' ' 48' ' ' GLN . 88.1 m-20 -70.54 142.67 51.78 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.452 -0.499 . . . . 0.0 111.311 -179.664 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.7 m -72.72 -29.61 30.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.619 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -83.73 1.87 40.6 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.23 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.498 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -58.18 -38.21 76.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.79 -178.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.606 HG13 ' N ' ' A' ' 55' ' ' ASP . 7.3 p -59.76 -43.99 92.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 C-N-CA 119.785 -0.766 . . . . 0.0 110.097 179.222 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.606 ' N ' HG13 ' A' ' 54' ' ' VAL . 89.3 m-20 -62.86 -43.59 98.39 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.451 179.583 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 51.5 mttp -61.96 -40.32 95.15 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.951 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 53' ' ' ALA . 69.9 t -66.76 -46.39 85.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.352 -179.143 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -65.05 -34.33 78.16 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 -178.253 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.3 mtmt -58.93 -41.14 86.63 Favored 'General case' 0 CA--C 1.52 -0.175 0 C-N-CA 119.192 -1.003 . . . . 0.0 110.923 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -65.52 -39.58 91.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.221 0.534 . . . . 0.0 110.961 178.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 71.7 mt -67.71 -35.43 78.78 Favored 'General case' 0 CA--C 1.51 -0.565 0 CA-C-N 115.485 -0.78 . . . . 0.0 112.651 -178.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.487 ' CG ' ' H ' ' A' ' 65' ' ' GLY . 44.9 t0 -72.2 72.56 0.91 Allowed 'General case' 0 N--CA 1.445 -0.691 0 C-N-CA 118.347 -1.341 . . . . 0.0 110.686 -178.233 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -62.86 -37.56 87.34 Favored 'General case' 0 CA--C 1.497 -1.065 0 N-CA-C 106.92 -1.511 . . . . 0.0 106.92 175.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.482 ' OD1' ' OD2' ' A' ' 66' ' ' ASP . 18.5 t-20 -57.9 -39.74 78.64 Favored 'General case' 0 N--CA 1.429 -1.487 0 CA-C-N 111.567 -2.56 . . . . 0.0 111.28 178.552 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.487 ' H ' ' CG ' ' A' ' 62' ' ' ASP . . . 79.87 18.72 71.98 Favored Glycine 0 CA--C 1.529 0.959 0 C-N-CA 121.396 -0.43 . . . . 0.0 112.94 177.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.55 ' OD2' ' NZ ' ' A' ' 27' ' ' LYS . 54.9 p30 -89.47 2.3 54.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 117.536 0.668 . . . . 0.0 112.508 -179.576 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 87.14 -2.61 86.92 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.655 -0.978 . . . . 0.0 110.655 178.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.505 ' OE1' ' O ' ' A' ' 66' ' ' ASP . 58.6 mp0 -121.2 160.32 24.07 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 115.419 -0.39 . . . . 0.0 110.517 179.532 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.49 HG21 HD22 ' A' ' 33' ' ' LEU . 48.3 t -102.87 130.23 53.28 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.584 0 N-CA-C 106.832 -1.544 . . . . 0.0 106.832 176.273 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 49.0 t0 -100.6 160.94 13.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.127 0.489 . . . . 0.0 111.601 -177.604 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.511 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 1.0 OUTLIER -50.58 -44.11 56.7 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.264 -178.792 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.409 ' HG2' HG21 ' B' ' 83' ' ' VAL . 94.1 mt-30 -61.83 -40.47 95.41 Favored 'General case' 0 C--O 1.245 0.847 0 C-N-CA 119.733 -0.787 . . . . 0.0 110.834 178.724 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.482 ' O ' HG22 ' A' ' 76' ' ' VAL . 79.5 mt-10 -64.33 -42.69 96.16 Favored 'General case' 0 C--O 1.243 0.714 0 CA-C-O 122.374 1.083 . . . . 0.0 109.698 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -63.31 -40.82 98.4 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 114.299 -1.318 . . . . 0.0 110.106 178.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.619 HG13 ' HB1' ' B' ' 79' ' ' ALA . 0.5 OUTLIER -60.37 -47.83 90.81 Favored 'Isoleucine or valine' 0 C--O 1.248 1.012 0 CA-C-N 113.779 -1.555 . . . . 0.0 109.825 -178.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.482 HG22 ' O ' ' A' ' 73' ' ' GLU . 16.8 m -67.29 -34.97 72.43 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.572 0 C-N-CA 117.82 -1.552 . . . . 0.0 109.374 178.656 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.59 ' O ' HD13 ' A' ' 81' ' ' LEU . 32.5 tp -56.83 -51.35 69.32 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 118.832 -1.147 . . . . 0.0 111.913 178.251 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 34.3 m -68.4 -36.22 73.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 C-N-CA 118.659 -1.216 . . . . 0.0 111.662 -178.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.74 ' HB2' ' HB2' ' B' ' 79' ' ' ALA . . . -68.86 -49.03 61.8 Favored 'General case' 0 C--O 1.25 1.081 0 C-N-CA 119.002 -1.079 . . . . 0.0 112.064 -179.288 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.88 -39.47 94.54 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.59 HD13 ' O ' ' A' ' 77' ' ' LEU . 9.7 mp -65.16 -34.3 78.07 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 119.346 -0.941 . . . . 0.0 109.819 176.644 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 37.4 m -63.06 -49.94 72.56 Favored 'General case' 0 C--O 1.245 0.831 0 C-N-CA 119.765 -0.774 . . . . 0.0 111.194 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.418 HG21 ' HG2' ' B' ' 72' ' ' GLN . 13.2 p -63.99 -39.18 84.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 118.95 -1.1 . . . . 0.0 110.73 178.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.49 -30.45 71.22 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-O 121.18 0.514 . . . . 0.0 109.933 178.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 42.4 t -67.81 -54.37 19.66 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.384 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 25.6 t30 -55.89 -41.34 74.32 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 118.69 -1.204 . . . . 0.0 108.579 178.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.686 ' O ' ' HB2' ' A' ' 91' ' ' GLU . 87.3 m-20 -59.33 -40.65 87.01 Favored 'General case' 0 C--O 1.2 -1.534 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.547 178.027 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.557 ' O ' ' O ' ' A' ' 91' ' ' GLU . 68.3 t80 -63.58 -40.66 97.53 Favored 'General case' 0 C--N 1.302 -1.482 0 C-N-CA 118.172 -1.411 . . . . 0.0 110.71 179.005 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -64.8 -60.29 3.25 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 120.046 -0.662 . . . . 0.0 112.233 -178.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.594 ' CD2' ' OH ' ' B' ' 26' ' ' TYR . 19.8 t-105 -68.73 -44.27 74.19 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 121.734 0.778 . . . . 0.0 111.55 179.186 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.686 ' HB2' ' O ' ' A' ' 87' ' ' ASN . 60.6 mm-40 -97.54 147.04 24.67 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.361 -1.291 . . . . 0.0 111.541 -179.491 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -55.46 -37.29 67.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.573 179.565 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 88.5 p . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.501 179.977 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.648 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 35.1 m -62.71 154.83 28.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.697 0.284 . . . . 0.0 110.305 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -61.68 -37.54 84.47 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 120.682 -0.407 . . . . 0.0 111.892 -179.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.481 ' O ' HD23 ' B' ' 4' ' ' LEU . 5.7 tt -60.97 -41.29 96.11 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 -179.211 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.08 -37.54 87.85 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.213 178.351 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 43.6 m -59.26 -40.89 87.46 Favored 'General case' 0 CA--C 1.515 -0.383 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 178.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.55 -45.84 85.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.346 179.246 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 99.1 mtp -59.88 -41.12 90.87 Favored 'General case' 0 C--O 1.246 0.878 0 CA-C-O 121.579 0.704 . . . . 0.0 109.887 179.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.08 -36.43 84.29 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.834 177.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 47.5 m -63.17 -43.05 99.36 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 119.759 -0.776 . . . . 0.0 110.177 178.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 43.1 mt -61.86 -42.49 99.12 Favored 'General case' 0 C--O 1.241 0.62 0 C-N-CA 119.23 -0.988 . . . . 0.0 108.868 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.9 mt -61.83 -45.17 99.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.029 178.441 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -61.97 -40.64 96.31 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.964 0.727 . . . . 0.0 112.964 -179.088 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 17.2 m -74.56 -41.46 48.79 Favored 'Isoleucine or valine' 0 C--O 1.255 1.347 0 C-N-CA 119.147 -1.021 . . . . 0.0 111.278 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -60.57 -47.95 83.94 Favored 'General case' 0 CA--C 1.513 -0.468 0 C-N-CA 119.052 -1.059 . . . . 0.0 109.864 177.286 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -63.81 -34.91 78.96 Favored 'General case' 0 CA--C 1.501 -0.926 0 CA-C-N 115.254 -0.884 . . . . 0.0 109.987 178.132 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.536 ' O ' ' HB2' ' B' ' 21' ' ' LYS . . . -57.96 -51.57 69.1 Favored 'General case' 0 N--CA 1.435 -1.21 0 C-N-CA 118.643 -1.223 . . . . 0.0 109.404 -178.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.491 ' HB2' HD12 ' B' ' 36' ' ' LEU . 23.0 m-70 -79.18 -52.23 8.44 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 114.545 1.313 . . . . 0.0 114.545 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.452 ' OG ' ' O ' ' B' ' 25' ' ' LYS . 22.8 t -57.97 -40.96 81.92 Favored 'General case' 0 C--N 1.341 0.218 0 C-N-CA 118.852 -1.139 . . . . 0.0 108.939 -179.249 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.09 -44.11 68.64 Favored Glycine 0 C--N 1.343 0.931 0 CA-C-N 115.265 -0.879 . . . . 0.0 112.175 178.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.536 ' HB2' ' O ' ' B' ' 17' ' ' ALA . 6.0 ttpm? -59.43 -42.21 91.35 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 120.144 -0.622 . . . . 0.0 112.023 -179.256 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.586 ' OE1' ' NZ ' ' B' ' 31' ' ' LYS . 97.2 mt-10 -129.33 151.9 49.47 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 112.813 0.672 . . . . 0.0 112.813 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.23 -148.28 29.45 Favored Glycine 0 N--CA 1.465 0.568 0 CA-C-N 115.802 -0.636 . . . . 0.0 112.361 177.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -71.02 139.42 50.48 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 179.246 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.452 ' O ' ' OG ' ' B' ' 19' ' ' SER . 33.9 mtmt -61.52 -32.53 72.58 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 -178.161 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.594 ' OH ' ' CD2' ' A' ' 90' ' ' TRP . 96.3 m-85 -106.53 20.02 19.62 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 -177.534 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.45 ' NZ ' ' OD2' ' B' ' 66' ' ' ASP . 4.0 tptt -137.93 137.93 38.48 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 119.438 -0.905 . . . . 0.0 109.119 178.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 14.5 tp -112.18 128.48 56.24 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.161 -0.615 . . . . 0.0 109.368 -178.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 94.1 p -101.29 166.74 10.6 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.673 -0.239 . . . . 0.0 110.915 -179.138 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 24.6 ttpt -53.41 -48.44 68.71 Favored 'General case' 0 C--O 1.24 0.592 0 CA-C-O 121.096 0.474 . . . . 0.0 112.089 -177.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.601 ' HG3' ' N ' ' B' ' 32' ' ' GLU . 17.5 pttp -60.99 -48.52 81.45 Favored 'General case' 0 N--CA 1.441 -0.904 0 C-N-CA 119.943 -0.703 . . . . 0.0 110.063 -178.639 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.601 ' N ' ' HG3' ' B' ' 31' ' ' LYS . 95.0 mt-10 -63.03 -49.92 72.71 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.095 -0.642 . . . . 0.0 112.25 -178.39 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.472 HD22 HG21 ' B' ' 69' ' ' VAL . 1.2 pp -60.97 -35.71 77.5 Favored 'General case' 0 CA--C 1.499 -1.015 0 C-N-CA 118.71 -1.196 . . . . 0.0 109.908 -179.711 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -55.41 -37.06 67.13 Favored 'General case' 0 N--CA 1.432 -1.354 0 C-N-CA 118.189 -1.404 . . . . 0.0 108.364 178.425 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.784 ' O ' HG23 ' B' ' 39' ' ' THR . 96.5 mt-10 -75.96 -41.14 52.35 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 179.588 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.755 ' O ' HD23 ' B' ' 36' ' ' LEU . 2.7 tt -65.23 -45.49 84.45 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 120.466 -0.494 . . . . 0.0 111.599 -177.17 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.571 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 1.1 mm? -64.57 -42.65 95.52 Favored 'General case' 0 CA--C 1.521 -0.153 0 C-N-CA 118.504 -1.278 . . . . 0.0 111.304 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -64.66 -39.47 93.74 Favored 'General case' 0 C--O 1.231 0.108 0 C-N-CA 119.925 -0.71 . . . . 0.0 111.75 179.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.784 HG23 ' O ' ' B' ' 35' ' ' GLU . 67.2 p -70.33 -38.33 74.87 Favored 'General case' 0 C--N 1.333 -0.119 0 C-N-CA 120.102 -0.639 . . . . 0.0 111.57 -179.477 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -92.17 -53.1 4.38 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.538 ' O ' ' O ' ' B' ' 37' ' ' LEU . 30.5 mt -104.06 141.54 36.04 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 121.248 0.546 . . . . 0.0 111.116 -179.27 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.4 m -113.41 -68.06 0.95 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.598 179.094 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.44 -37.72 88.87 Favored Glycine 0 CA--C 1.531 1.05 0 CA-C-N 115.621 -0.718 . . . . 0.0 113.855 -178.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -60.19 -53.11 61.66 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 117.965 0.883 . . . . 0.0 112.14 -178.048 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -75.69 -40.18 56.28 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 120.381 -0.528 . . . . 0.0 111.331 178.342 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -60.43 -33.22 72.22 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.513 -179.249 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.24 -34.63 70.66 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -177.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.479 ' C ' ' H ' ' B' ' 50' ' ' ASP . 93.6 mm-40 -61.85 -34.31 75.75 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.105 -0.638 . . . . 0.0 109.7 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 79.5 tttt 67.59 -32.51 0.2 Allowed 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.28 -0.873 . . . . 0.0 112.091 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' ASP . . . . . 0.479 ' H ' ' C ' ' B' ' 48' ' ' GLN . 88.1 m-20 -70.55 142.78 51.76 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.417 -0.513 . . . . 0.0 111.32 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 4.7 m -72.81 -29.61 30.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.614 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -83.75 1.82 40.91 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.245 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.499 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -58.11 -38.23 76.07 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.773 -179.023 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.624 HG13 ' N ' ' B' ' 55' ' ' ASP . 7.1 p -59.71 -44.05 92.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 C-N-CA 119.692 -0.803 . . . . 0.0 110.1 179.227 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.624 ' N ' HG13 ' B' ' 54' ' ' VAL . 89.2 m-20 -62.81 -43.55 98.51 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.523 179.605 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 51.6 mttp -62.06 -40.27 95.2 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.926 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.499 HG23 ' O ' ' B' ' 53' ' ' ALA . 70.5 t -66.73 -46.5 85.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.071 -0.513 . . . . 0.0 112.325 -179.162 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -64.96 -34.36 78.24 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 -178.301 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 14.2 mtmt -58.99 -41.11 86.83 Favored 'General case' 0 CA--C 1.521 -0.148 0 C-N-CA 119.053 -1.059 . . . . 0.0 110.857 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -65.44 -39.62 92.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.241 0.543 . . . . 0.0 110.947 178.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 71.2 mt -67.72 -35.37 78.65 Favored 'General case' 0 CA--C 1.511 -0.526 0 CA-C-N 115.491 -0.777 . . . . 0.0 112.599 -178.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.486 ' CG ' ' H ' ' B' ' 65' ' ' GLY . 44.8 t0 -72.19 72.34 0.9 Allowed 'General case' 0 N--CA 1.444 -0.74 0 C-N-CA 118.452 -1.299 . . . . 0.0 110.697 -178.202 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -62.75 -37.54 87.0 Favored 'General case' 0 CA--C 1.497 -1.091 0 N-CA-C 106.943 -1.503 . . . . 0.0 106.943 175.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.479 ' OD1' ' CG ' ' B' ' 66' ' ' ASP . 18.5 t-20 -57.87 -39.75 78.56 Favored 'General case' 0 N--CA 1.431 -1.407 0 CA-C-N 111.554 -2.566 . . . . 0.0 111.257 178.524 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.486 ' H ' ' CG ' ' B' ' 62' ' ' ASP . . . 79.79 18.76 72.1 Favored Glycine 0 CA--C 1.53 1.028 0 C-N-CA 121.399 -0.429 . . . . 0.0 112.983 178.039 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.499 ' O ' ' OE1' ' B' ' 68' ' ' GLU . 54.7 p30 -89.51 2.36 54.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 117.486 0.643 . . . . 0.0 112.59 -179.638 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 87.2 -2.72 86.87 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.692 -0.963 . . . . 0.0 110.692 178.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.499 ' OE1' ' O ' ' B' ' 66' ' ' ASP . 58.5 mp0 -121.24 160.36 24.04 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-N 115.395 -0.403 . . . . 0.0 110.51 179.526 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.472 HG21 HD22 ' B' ' 33' ' ' LEU . 48.5 t -102.9 130.37 53.11 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 N-CA-C 106.831 -1.544 . . . . 0.0 106.831 176.303 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.531 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 48.3 t0 -100.38 160.9 13.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.146 0.498 . . . . 0.0 111.587 -177.57 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.531 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 1.0 OUTLIER -50.59 -44.14 56.82 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.17 -178.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.418 ' HG2' HG21 ' A' ' 83' ' ' VAL . 94.1 mt-30 -61.95 -40.34 95.21 Favored 'General case' 0 C--O 1.245 0.857 0 C-N-CA 119.835 -0.746 . . . . 0.0 110.797 178.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.478 ' O ' HG22 ' B' ' 76' ' ' VAL . 79.5 mt-10 -64.42 -42.71 95.91 Favored 'General case' 0 C--O 1.244 0.783 0 CA-C-O 122.441 1.115 . . . . 0.0 109.664 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -63.31 -40.86 98.5 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 114.372 -1.285 . . . . 0.0 110.143 178.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.62 HG13 ' HB1' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -60.3 -47.86 90.61 Favored 'Isoleucine or valine' 0 C--O 1.249 1.038 0 CA-C-N 113.736 -1.575 . . . . 0.0 109.874 -179.028 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.478 HG22 ' O ' ' B' ' 73' ' ' GLU . 16.8 m -67.24 -34.95 72.49 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.561 0 C-N-CA 117.818 -1.553 . . . . 0.0 109.389 178.639 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.597 ' O ' HD13 ' B' ' 81' ' ' LEU . 32.6 tp -56.87 -51.31 69.56 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 118.795 -1.162 . . . . 0.0 111.909 178.259 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 34.3 m -68.41 -36.22 73.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 118.69 -1.204 . . . . 0.0 111.665 -178.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.74 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . . . -68.85 -49.23 60.17 Favored 'General case' 0 C--O 1.251 1.152 0 C-N-CA 119.078 -1.049 . . . . 0.0 111.982 -179.272 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.68 -39.57 94.36 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.597 HD13 ' O ' ' B' ' 77' ' ' LEU . 9.6 mp -65.08 -34.5 78.57 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 119.363 -0.935 . . . . 0.0 109.742 176.717 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 37.3 m -62.94 -49.88 73.03 Favored 'General case' 0 C--O 1.244 0.808 0 C-N-CA 119.731 -0.788 . . . . 0.0 111.192 179.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.409 HG21 ' HG2' ' A' ' 72' ' ' GLN . 13.1 p -63.97 -39.3 84.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 119.038 -1.065 . . . . 0.0 110.641 178.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.41 -30.47 71.28 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 121.145 0.498 . . . . 0.0 109.901 178.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 42.4 t -67.77 -54.4 19.55 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-N 115.487 -0.778 . . . . 0.0 109.417 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 25.8 t30 -55.99 -41.33 74.65 Favored 'General case' 0 C--O 1.239 0.517 0 C-N-CA 118.69 -1.204 . . . . 0.0 108.583 178.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 87' ' ' ASN . . . . . 0.672 ' O ' ' HB2' ' B' ' 91' ' ' GLU . 87.2 m-20 -59.25 -40.78 87.08 Favored 'General case' 0 C--O 1.201 -1.484 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.505 177.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.552 ' O ' ' O ' ' B' ' 91' ' ' GLU . 68.3 t80 -63.58 -40.62 97.43 Favored 'General case' 0 C--N 1.302 -1.49 0 C-N-CA 118.203 -1.399 . . . . 0.0 110.694 179.05 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -64.81 -60.24 3.31 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 120.068 -0.653 . . . . 0.0 112.29 -178.454 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.591 ' CD2' ' OH ' ' A' ' 26' ' ' TYR . 19.8 t-105 -68.78 -44.28 73.97 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.641 0.734 . . . . 0.0 111.485 179.143 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.672 ' HB2' ' O ' ' B' ' 87' ' ' ASN . 61.0 mm-40 -97.41 146.95 24.7 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 114.49 -1.232 . . . . 0.0 111.547 -179.505 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -55.51 -37.28 67.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.546 179.512 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 88.2 p . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.488 -179.986 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 201' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.54 ' O ' ' OE1' ' B' ' 40' ' ' GLU . . . . . . . . 0 CA--C 1.525 0.685 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.7 m -83.3 10.03 9.48 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 122.769 -0.254 . . . . 0.0 110.891 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -60.24 -38.22 82.79 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 -178.113 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.503 ' O ' HD23 ' A' ' 4' ' ' LEU . 5.6 tt -61.97 -41.2 97.75 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 118.696 -1.202 . . . . 0.0 107.963 -179.317 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -65.32 -37.44 87.1 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.124 178.305 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.2 m -59.09 -41.0 87.04 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 179.122 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.74 -46.02 84.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.494 179.139 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 99.1 mtp -59.55 -41.42 90.06 Favored 'General case' 0 C--O 1.247 0.97 0 CA-C-O 121.78 0.8 . . . . 0.0 109.833 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.34 -35.45 81.03 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 115.327 -0.852 . . . . 0.0 110.132 177.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 53.1 m -64.29 -43.07 95.91 Favored 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 119.605 -0.838 . . . . 0.0 110.046 179.303 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 38.6 mt -61.85 -42.57 99.21 Favored 'General case' 0 C--O 1.239 0.515 0 C-N-CA 119.119 -1.033 . . . . 0.0 108.797 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.2 mt -61.68 -45.15 99.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 C-N-CA 119.732 -0.787 . . . . 0.0 111.176 178.459 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -62.05 -41.39 98.08 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 -179.06 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.8 m -73.65 -41.2 55.17 Favored 'Isoleucine or valine' 0 C--O 1.256 1.432 0 C-N-CA 119.128 -1.029 . . . . 0.0 110.938 -179.523 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -60.59 -47.43 86.23 Favored 'General case' 0 CA--C 1.513 -0.455 0 C-N-CA 119.388 -0.925 . . . . 0.0 109.767 177.296 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -63.52 -34.73 78.43 Favored 'General case' 0 CA--C 1.502 -0.894 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.839 177.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.554 ' O ' ' HB2' ' A' ' 21' ' ' LYS . . . -57.63 -51.85 67.84 Favored 'General case' 0 N--CA 1.436 -1.172 0 C-N-CA 118.746 -1.181 . . . . 0.0 109.333 -179.059 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.469 ' ND1' ' HG ' ' A' ' 36' ' ' LEU . 46.9 m80 -78.41 -52.89 7.89 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 114.772 1.397 . . . . 0.0 114.772 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.422 ' OG ' ' O ' ' A' ' 25' ' ' LYS . 24.7 t -58.04 -40.91 82.08 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 118.889 -1.124 . . . . 0.0 109.1 -179.153 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.13 -43.93 69.28 Favored Glycine 0 C--N 1.343 0.969 0 CA-C-N 115.316 -0.856 . . . . 0.0 112.12 178.375 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.554 ' HB2' ' O ' ' A' ' 17' ' ' ALA . 6.1 ttpm? -59.39 -42.27 91.33 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 120.112 -0.635 . . . . 0.0 111.814 -179.297 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.443 ' C ' ' OE2' ' A' ' 32' ' ' GLU . 76.9 mm-40 -129.94 151.4 50.54 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.2 -149.3 31.52 Favored Glycine 0 N--CA 1.464 0.558 0 CA-C-N 115.848 -0.615 . . . . 0.0 112.306 177.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -70.98 140.1 50.77 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 179.186 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.422 ' O ' ' OG ' ' A' ' 19' ' ' SER . 34.4 mtmt -61.73 -32.78 73.03 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 -177.807 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.599 ' OH ' ' CE3' ' B' ' 90' ' ' TRP . 93.7 m-85 -107.72 19.76 19.71 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 -177.153 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.403 ' CG ' ' OE2' ' A' ' 68' ' ' GLU . 34.0 tptt -139.92 143.95 36.88 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.459 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.5 tp -116.57 132.32 56.71 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 120.537 -0.465 . . . . 0.0 111.277 -175.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.9 t -99.71 158.59 15.67 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.566 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.9 ttpt -52.72 -45.75 67.08 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-O 121.267 0.556 . . . . 0.0 110.947 -177.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.59 ' HG3' ' N ' ' A' ' 32' ' ' GLU . 25.6 pttm -59.92 -48.02 83.39 Favored 'General case' 0 N--CA 1.437 -1.077 0 CA-C-N 115.564 -0.743 . . . . 0.0 109.675 -178.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.59 ' N ' ' HG3' ' A' ' 31' ' ' LYS . 95.2 mt-10 -63.31 -49.03 75.57 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 115.541 -0.754 . . . . 0.0 112.335 -178.489 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 pp -61.52 -34.65 75.89 Favored 'General case' 0 CA--C 1.501 -0.905 0 C-N-CA 118.577 -1.249 . . . . 0.0 109.963 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.561 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 0.3 OUTLIER -54.9 -37.38 66.25 Favored 'General case' 0 N--CA 1.436 -1.149 0 C-N-CA 118.058 -1.457 . . . . 0.0 108.004 178.046 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.863 ' O ' HG23 ' A' ' 39' ' ' THR . 97.4 mt-10 -74.88 -40.81 60.74 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 179.226 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.775 ' O ' HD23 ' A' ' 36' ' ' LEU . 3.6 tt -66.07 -46.14 78.81 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 119.754 -0.778 . . . . 0.0 111.813 -176.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.571 ' N ' ' CD2' ' A' ' 37' ' ' LEU . 1.3 mm? -64.0 -43.23 96.28 Favored 'General case' 0 CA--C 1.519 -0.235 0 C-N-CA 118.578 -1.249 . . . . 0.0 111.13 -179.708 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.561 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 27.1 mt-30 -64.36 -39.43 93.86 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.584 -0.446 . . . . 0.0 112.141 179.651 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.863 HG23 ' O ' ' A' ' 35' ' ' GLU . 64.0 p -70.61 -38.62 74.0 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.039 -0.664 . . . . 0.0 111.432 -179.649 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.53 ' OE1' ' O ' ' B' ' 1' ' ' GLY . 80.0 mm-40 -92.85 -53.03 4.33 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.535 0.568 . . . . 0.0 112.535 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.557 ' O ' ' O ' ' A' ' 37' ' ' LEU . 29.9 mt -103.83 142.37 34.5 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.292 0.568 . . . . 0.0 111.417 -178.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.518 ' OG ' ' N ' ' A' ' 43' ' ' GLY . 51.8 p -115.81 -66.54 1.07 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.616 178.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.518 ' N ' ' OG ' ' A' ' 42' ' ' SER . . . -58.48 -37.76 89.2 Favored Glycine 0 CA--C 1.531 1.036 0 CA-C-N 115.664 -0.698 . . . . 0.0 113.777 -178.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -60.34 -52.91 63.26 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 117.938 0.869 . . . . 0.0 112.248 -178.099 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -74.58 -39.11 62.44 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 120.398 -0.521 . . . . 0.0 111.406 178.338 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -60.41 -32.63 71.53 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.648 -0.705 . . . . 0.0 112.636 -178.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.66 -33.59 68.48 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -177.196 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -61.69 -36.55 81.21 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 119.824 -0.75 . . . . 0.0 109.495 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.533 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 68.8 mttm 61.29 36.95 17.49 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.144 -0.935 . . . . 0.0 112.396 179.063 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.533 ' OD1' ' O ' ' A' ' 49' ' ' LYS . 91.7 m-20 -142.22 148.43 38.14 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 120.995 -0.282 . . . . 0.0 110.374 178.165 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.6 m -74.07 -31.29 29.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.558 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -82.85 -2.77 55.64 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.91 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.588 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -58.71 -38.57 78.58 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.491 -0.484 . . . . 0.0 110.735 -178.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.602 HG13 ' N ' ' A' ' 55' ' ' ASP . 10.0 p -60.92 -43.89 96.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 C-N-CA 119.815 -0.754 . . . . 0.0 110.616 179.644 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.602 ' N ' HG13 ' A' ' 54' ' ' VAL . 56.6 t0 -63.13 -45.03 93.9 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 120.168 -0.613 . . . . 0.0 110.387 179.692 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -62.6 -39.47 93.85 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 120.361 -0.536 . . . . 0.0 111.143 179.338 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.588 HG23 ' O ' ' A' ' 53' ' ' ALA . 74.5 t -64.89 -45.31 95.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 C-N-CA 120.561 -0.456 . . . . 0.0 111.683 -179.55 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.538 ' CE ' ' O ' ' A' ' 67' ' ' GLY . 0.9 OUTLIER -65.58 -33.59 76.25 Favored 'General case' 0 C--O 1.236 0.394 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 -178.838 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.5 mtmt -59.18 -40.98 87.37 Favored 'General case' 0 CA--C 1.52 -0.176 0 C-N-CA 119.398 -0.921 . . . . 0.0 111.186 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -64.8 -39.16 93.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.203 0.525 . . . . 0.0 110.704 179.045 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 62.1 mt -67.82 -35.12 78.04 Favored 'General case' 0 CA--C 1.508 -0.645 0 CA-C-N 115.428 -0.805 . . . . 0.0 112.112 -179.056 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.574 ' OD2' ' N ' ' A' ' 66' ' ' ASP . 31.1 t0 -72.22 76.85 0.98 Allowed 'General case' 0 N--CA 1.443 -0.786 0 C-N-CA 118.605 -1.238 . . . . 0.0 111.231 -178.027 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -63.44 -37.07 85.88 Favored 'General case' 0 CA--C 1.5 -0.954 0 CA-C-O 123.105 1.431 . . . . 0.0 107.284 175.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.493 ' OD1' ' OD2' ' A' ' 66' ' ' ASP . 15.6 t-20 -57.33 -38.86 74.75 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-N 111.464 -2.607 . . . . 0.0 112.077 179.277 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.469 ' H ' ' CG ' ' A' ' 62' ' ' ASP . . . 86.9 13.06 67.41 Favored Glycine 0 CA--C 1.529 0.951 0 C-N-CA 121.042 -0.599 . . . . 0.0 112.51 178.545 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.574 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 54.1 p30 -89.38 6.35 41.03 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.119 0.415 . . . . 0.0 112.119 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.538 ' O ' ' CE ' ' A' ' 58' ' ' MET . . . 68.96 -1.93 9.47 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.432 -1.067 . . . . 0.0 110.432 179.616 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.425 ' H ' ' C ' ' A' ' 66' ' ' ASP . 83.8 tt0 -117.45 144.76 44.69 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 47.9 t -96.48 133.33 38.21 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.44 0 C-N-CA 120.145 -0.622 . . . . 0.0 110.912 -176.559 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.551 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 51.1 t0 -100.2 159.49 15.07 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.333 0.587 . . . . 0.0 111.651 -178.714 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.551 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 1.0 OUTLIER -50.67 -43.97 57.6 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.618 -178.504 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.416 ' HG2' HG21 ' B' ' 83' ' ' VAL . 94.1 mt-30 -61.71 -40.31 94.58 Favored 'General case' 0 C--O 1.245 0.83 0 C-N-CA 119.673 -0.811 . . . . 0.0 110.899 179.072 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.504 ' O ' HG22 ' A' ' 76' ' ' VAL . 86.3 mt-10 -64.27 -42.82 96.26 Favored 'General case' 0 C--O 1.245 0.822 0 CA-C-O 122.497 1.141 . . . . 0.0 109.584 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -63.04 -41.11 99.42 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-N 114.268 -1.333 . . . . 0.0 110.413 178.391 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.616 HG13 ' HB1' ' B' ' 79' ' ' ALA . 0.5 OUTLIER -60.23 -47.53 91.8 Favored 'Isoleucine or valine' 0 C--O 1.248 0.979 0 CA-C-N 113.706 -1.588 . . . . 0.0 109.784 -178.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.504 HG22 ' O ' ' A' ' 73' ' ' GLU . 17.4 m -67.06 -34.92 72.88 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.597 0 C-N-CA 117.705 -1.598 . . . . 0.0 109.218 178.563 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.561 ' O ' HD13 ' A' ' 81' ' ' LEU . 34.5 tp -56.5 -51.79 67.15 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 118.682 -1.207 . . . . 0.0 112.0 178.1 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 34.9 m -68.41 -36.2 73.89 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 C-N-CA 118.385 -1.326 . . . . 0.0 111.749 -178.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.726 ' HB2' ' HB2' ' B' ' 79' ' ' ALA . . . -68.57 -48.68 63.59 Favored 'General case' 0 C--O 1.249 1.039 0 C-N-CA 119.123 -1.031 . . . . 0.0 111.998 -179.315 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.99 -39.72 95.58 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.561 HD13 ' O ' ' A' ' 77' ' ' LEU . 9.6 mp -65.0 -34.93 79.62 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 119.304 -0.958 . . . . 0.0 109.961 176.61 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 37.0 m -62.92 -50.32 71.33 Favored 'General case' 0 C--O 1.246 0.911 0 C-N-CA 119.655 -0.818 . . . . 0.0 111.484 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.419 HG21 ' HG2' ' B' ' 72' ' ' GLN . 13.5 p -63.98 -38.67 83.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 C-N-CA 119.129 -1.028 . . . . 0.0 110.682 178.794 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.66 -30.6 71.33 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 121.052 0.453 . . . . 0.0 109.897 178.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 24.8 t -68.34 -54.8 14.92 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.685 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -56.19 -41.08 74.98 Favored 'General case' 0 C--O 1.243 0.712 0 C-N-CA 118.748 -1.181 . . . . 0.0 108.666 178.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.687 ' O ' ' HB2' ' A' ' 91' ' ' GLU . 87.4 m-20 -59.46 -40.64 87.54 Favored 'General case' 0 C--O 1.199 -1.569 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.307 177.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.56 ' O ' ' O ' ' A' ' 91' ' ' GLU . 68.2 t80 -63.43 -40.2 96.55 Favored 'General case' 0 C--N 1.3 -1.557 0 C-N-CA 118.103 -1.439 . . . . 0.0 110.374 178.789 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -64.05 -61.28 2.36 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 120.023 -0.671 . . . . 0.0 112.354 -178.463 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.604 ' CE3' ' OH ' ' B' ' 26' ' ' TYR . 21.2 t-105 -69.23 -43.39 74.15 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 119.76 -0.776 . . . . 0.0 111.701 179.076 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.687 ' HB2' ' O ' ' A' ' 87' ' ' ASN . 93.8 mt-10 -97.72 148.14 23.65 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.391 -1.277 . . . . 0.0 111.692 -179.548 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -103.76 137.9 41.14 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.593 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 29.2 t . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 118.012 -0.994 . . . . 0.0 110.562 -179.961 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' GLY . . . . . 0.53 ' O ' ' OE1' ' A' ' 40' ' ' GLU . . . . . . . . 0 CA--C 1.525 0.708 0 N-CA-C 110.944 -0.863 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 75.3 m -83.4 10.12 9.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 122.751 -0.264 . . . . 0.0 110.83 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -60.32 -38.23 83.06 Favored 'General case' 0 C--O 1.237 0.397 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -178.092 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.499 ' O ' HD23 ' B' ' 4' ' ' LEU . 5.6 tt -61.93 -41.24 97.73 Favored 'General case' 0 C--O 1.238 0.48 0 C-N-CA 118.722 -1.191 . . . . 0.0 107.971 -179.372 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -65.26 -37.48 87.35 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.096 178.256 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 45.7 m -59.07 -40.87 86.52 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 179.139 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.9 -46.02 83.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.391 179.226 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 99.1 mtp -59.65 -41.45 90.6 Favored 'General case' 0 C--O 1.249 1.056 0 CA-C-O 121.651 0.739 . . . . 0.0 109.75 179.714 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.13 -36.28 83.77 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.122 177.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 51.2 m -63.35 -43.36 97.93 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 119.712 -0.795 . . . . 0.0 110.254 179.102 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 44.7 mt -61.86 -42.49 99.11 Favored 'General case' 0 C--O 1.238 0.495 0 C-N-CA 119.185 -1.006 . . . . 0.0 108.773 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.2 mt -61.65 -45.18 99.21 Favored 'Isoleucine or valine' 0 C--O 1.232 0.163 0 CA-C-N 115.432 -0.803 . . . . 0.0 111.162 178.476 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -62.2 -41.36 98.28 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 -178.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 15.8 m -73.63 -41.21 55.31 Favored 'Isoleucine or valine' 0 C--O 1.256 1.399 0 C-N-CA 119.15 -1.02 . . . . 0.0 110.914 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -60.59 -47.37 86.51 Favored 'General case' 0 CA--C 1.513 -0.48 0 C-N-CA 119.416 -0.913 . . . . 0.0 109.77 177.284 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -63.59 -34.75 78.51 Favored 'General case' 0 CA--C 1.502 -0.9 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.8 177.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.546 ' O ' ' HB2' ' B' ' 21' ' ' LYS . . . -57.68 -51.73 68.34 Favored 'General case' 0 N--CA 1.435 -1.183 0 C-N-CA 118.746 -1.182 . . . . 0.0 109.356 -179.059 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.484 ' HB2' HD12 ' B' ' 36' ' ' LEU . 46.9 m80 -78.46 -52.93 7.82 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.417 ' OG ' ' O ' ' B' ' 25' ' ' LYS . 24.7 t -58.08 -40.98 82.46 Favored 'General case' 0 C--O 1.232 0.172 0 C-N-CA 118.989 -1.085 . . . . 0.0 109.083 -179.152 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.01 -44.06 69.42 Favored Glycine 0 C--N 1.342 0.909 0 O-C-N 124.093 0.871 . . . . 0.0 112.104 178.362 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.546 ' HB2' ' O ' ' B' ' 17' ' ' ALA . 6.1 ttpm? -59.32 -42.32 91.14 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.145 -0.622 . . . . 0.0 111.858 -179.286 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.441 ' C ' ' OE2' ' B' ' 32' ' ' GLU . 76.9 mm-40 -129.91 151.45 50.45 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 179.785 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.15 -149.22 31.5 Favored Glycine 0 CA--C 1.524 0.608 0 CA-C-N 115.835 -0.621 . . . . 0.0 112.338 177.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -70.94 140.12 50.85 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 179.16 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.417 ' O ' ' OG ' ' B' ' 19' ' ' SER . 34.4 mtmt -61.8 -32.82 73.15 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 -177.822 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.604 ' OH ' ' CE3' ' A' ' 90' ' ' TRP . 93.8 m-85 -107.62 19.69 19.84 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 113.067 0.766 . . . . 0.0 113.067 -177.12 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.425 ' HG2' ' CD ' ' B' ' 68' ' ' GLU . 34.8 tptt -139.82 144.04 37.12 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 179.497 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 14.5 tp -116.66 132.33 56.72 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 120.519 -0.472 . . . . 0.0 111.276 -175.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 33.0 t -99.69 158.65 15.63 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.527 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 19.9 ttpt -52.78 -45.74 67.29 Favored 'General case' 0 C--O 1.24 0.572 0 CA-C-O 121.212 0.53 . . . . 0.0 110.992 -177.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.609 ' HG3' ' N ' ' B' ' 32' ' ' GLU . 25.6 pttm -59.9 -48.1 83.05 Favored 'General case' 0 N--CA 1.438 -1.049 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.593 -178.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.609 ' N ' ' HG3' ' B' ' 31' ' ' LYS . 95.1 mt-10 -63.19 -49.15 75.4 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.317 -178.459 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 pp -61.42 -34.63 75.71 Favored 'General case' 0 CA--C 1.501 -0.926 0 C-N-CA 118.537 -1.265 . . . . 0.0 110.03 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.557 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 0.3 OUTLIER -54.94 -37.4 66.37 Favored 'General case' 0 N--CA 1.437 -1.111 0 C-N-CA 118.048 -1.461 . . . . 0.0 107.995 178.042 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.875 ' O ' HG23 ' B' ' 39' ' ' THR . 97.4 mt-10 -74.84 -40.88 60.79 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 179.218 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.759 ' O ' HD23 ' B' ' 36' ' ' LEU . 3.6 tt -66.08 -46.09 78.95 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 119.723 -0.791 . . . . 0.0 111.833 -176.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.574 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 1.2 mm? -64.09 -43.19 96.13 Favored 'General case' 0 CA--C 1.52 -0.195 0 C-N-CA 118.623 -1.231 . . . . 0.0 111.056 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.557 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 27.1 mt-30 -64.44 -39.44 93.82 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.538 -0.465 . . . . 0.0 112.134 179.663 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.875 HG23 ' O ' ' B' ' 35' ' ' GLU . 64.4 p -70.51 -38.63 74.31 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 120.082 -0.647 . . . . 0.0 111.385 -179.714 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.54 ' OE1' ' O ' ' A' ' 1' ' ' GLY . 80.1 mm-40 -92.84 -53.01 4.34 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.538 0.569 . . . . 0.0 112.538 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.556 ' O ' ' O ' ' B' ' 37' ' ' LEU . 29.9 mt -103.86 142.36 34.53 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 121.181 0.515 . . . . 0.0 111.443 -178.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.521 ' OG ' ' N ' ' B' ' 43' ' ' GLY . 51.8 p -115.89 -66.48 1.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.603 178.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 43' ' ' GLY . . . . . 0.521 ' N ' ' OG ' ' B' ' 42' ' ' SER . . . -58.54 -37.81 89.66 Favored Glycine 0 CA--C 1.531 1.04 0 CA-C-N 115.733 -0.667 . . . . 0.0 113.639 -178.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -60.35 -52.85 63.48 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 118.007 0.904 . . . . 0.0 112.285 -178.081 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -74.5 -39.14 62.6 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.12 0.486 . . . . 0.0 111.393 178.319 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -60.42 -32.65 71.56 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.646 -178.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.66 -33.57 68.45 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -177.153 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 94.0 mm-40 -61.73 -36.59 81.4 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 119.768 -0.773 . . . . 0.0 109.376 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.536 ' O ' ' OD1' ' B' ' 50' ' ' ASP . 68.8 mttm 61.27 36.98 17.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.2 -0.909 . . . . 0.0 112.414 179.092 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 50' ' ' ASP . . . . . 0.536 ' OD1' ' O ' ' B' ' 49' ' ' LYS . 92.0 m-20 -142.22 148.45 38.16 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 120.974 -0.291 . . . . 0.0 110.32 178.142 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 5.6 m -74.12 -31.18 28.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.564 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -82.85 -2.74 55.57 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.913 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.587 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -58.63 -38.62 78.47 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.466 -0.494 . . . . 0.0 110.786 -179.001 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.608 HG13 ' N ' ' B' ' 55' ' ' ASP . 9.9 p -60.88 -43.96 96.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 C-N-CA 119.779 -0.769 . . . . 0.0 110.622 179.62 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.608 ' N ' HG13 ' B' ' 54' ' ' VAL . 56.5 t0 -63.05 -45.12 93.73 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 120.264 -0.574 . . . . 0.0 110.401 179.647 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -62.53 -39.52 93.84 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 120.489 -0.484 . . . . 0.0 111.148 179.315 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.587 HG23 ' O ' ' B' ' 53' ' ' ALA . 74.7 t -64.86 -45.3 95.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 C-N-CA 120.519 -0.473 . . . . 0.0 111.671 -179.559 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.535 ' CE ' ' O ' ' B' ' 67' ' ' GLY . 0.9 OUTLIER -65.55 -33.76 76.67 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 113.526 0.936 . . . . 0.0 113.526 -178.792 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 12.5 mtmt -59.2 -40.93 87.3 Favored 'General case' 0 CA--C 1.522 -0.117 0 C-N-CA 119.39 -0.924 . . . . 0.0 111.116 -179.422 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -64.85 -39.15 93.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.192 0.52 . . . . 0.0 110.667 179.092 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 61.8 mt -67.81 -35.18 78.16 Favored 'General case' 0 CA--C 1.508 -0.649 0 CA-C-N 115.386 -0.825 . . . . 0.0 112.093 -179.096 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.579 ' OD2' ' N ' ' B' ' 66' ' ' ASP . 31.4 t0 -72.18 76.7 0.97 Allowed 'General case' 0 N--CA 1.443 -0.813 0 C-N-CA 118.724 -1.191 . . . . 0.0 111.236 -177.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -63.28 -37.17 86.19 Favored 'General case' 0 CA--C 1.5 -0.946 0 CA-C-O 123.219 1.485 . . . . 0.0 107.335 175.695 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.501 ' OD1' ' OD2' ' B' ' 66' ' ' ASP . 15.6 t-20 -57.28 -38.8 74.48 Favored 'General case' 0 C--N 1.304 -1.379 0 CA-C-N 111.393 -2.639 . . . . 0.0 112.101 179.204 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.467 ' H ' ' CG ' ' B' ' 62' ' ' ASP . . . 86.8 13.1 67.61 Favored Glycine 0 CA--C 1.529 0.943 0 C-N-CA 121.045 -0.598 . . . . 0.0 112.512 178.556 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.579 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 54.2 p30 -89.38 6.35 41.01 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -179.757 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.535 ' O ' ' CE ' ' B' ' 58' ' ' MET . . . 69.0 -1.98 9.48 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.337 -1.105 . . . . 0.0 110.337 179.624 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.434 ' H ' ' C ' ' B' ' 66' ' ' ASP . 83.8 tt0 -117.45 144.86 44.59 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 47.9 t -96.61 133.29 38.54 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.492 0 C-N-CA 120.162 -0.615 . . . . 0.0 110.866 -176.488 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.553 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 50.4 t0 -99.86 159.46 15.06 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.361 0.6 . . . . 0.0 111.617 -178.675 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.553 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 1.0 OUTLIER -50.76 -44.01 58.47 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.693 -178.746 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.419 ' HG2' HG21 ' A' ' 83' ' ' VAL . 94.1 mt-30 -61.6 -40.34 94.43 Favored 'General case' 0 C--O 1.247 0.949 0 C-N-CA 119.666 -0.813 . . . . 0.0 110.911 178.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.492 ' O ' HG22 ' B' ' 76' ' ' VAL . 86.4 mt-10 -64.29 -42.8 96.21 Favored 'General case' 0 C--O 1.244 0.78 0 CA-C-O 122.509 1.147 . . . . 0.0 109.532 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -63.05 -41.11 99.4 Favored 'General case' 0 C--O 1.24 0.598 0 CA-C-N 114.288 -1.324 . . . . 0.0 110.4 178.389 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.623 HG13 ' HB1' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -60.36 -47.45 92.38 Favored 'Isoleucine or valine' 0 C--O 1.248 1.01 0 CA-C-N 113.701 -1.59 . . . . 0.0 109.751 -178.869 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.492 HG22 ' O ' ' B' ' 73' ' ' GLU . 17.2 m -67.04 -34.89 72.75 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.644 0 C-N-CA 117.713 -1.595 . . . . 0.0 109.31 178.463 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.559 ' O ' HD13 ' B' ' 81' ' ' LEU . 33.9 tp -56.56 -51.71 67.53 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 118.732 -1.187 . . . . 0.0 112.055 178.085 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 34.8 m -68.37 -36.23 74.09 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 C-N-CA 118.465 -1.294 . . . . 0.0 111.799 -178.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.726 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . . . -68.63 -48.67 63.47 Favored 'General case' 0 C--O 1.249 1.055 0 C-N-CA 119.056 -1.058 . . . . 0.0 112.004 -179.342 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.89 -39.79 95.56 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.559 HD13 ' O ' ' B' ' 77' ' ' LEU . 9.5 mp -64.95 -35.08 80.01 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 119.217 -0.993 . . . . 0.0 109.927 176.628 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 36.5 m -62.72 -50.41 71.23 Favored 'General case' 0 C--O 1.247 0.947 0 C-N-CA 119.749 -0.78 . . . . 0.0 111.409 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.416 HG21 ' HG2' ' A' ' 72' ' ' GLN . 13.3 p -63.88 -38.82 83.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 119.112 -1.035 . . . . 0.0 110.672 178.807 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.59 -30.51 71.24 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-O 121.138 0.494 . . . . 0.0 109.995 178.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 25.0 t -68.41 -54.91 13.98 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.517 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -56.12 -41.13 74.81 Favored 'General case' 0 C--O 1.242 0.694 0 C-N-CA 118.792 -1.163 . . . . 0.0 108.688 179.001 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 87' ' ' ASN . . . . . 0.667 ' O ' ' HB2' ' B' ' 91' ' ' GLU . 87.3 m-20 -59.35 -40.7 87.25 Favored 'General case' 0 C--O 1.199 -1.559 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.427 177.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.558 ' O ' ' O ' ' B' ' 91' ' ' GLU . 68.6 t80 -63.48 -39.98 95.89 Favored 'General case' 0 C--N 1.301 -1.514 0 C-N-CA 118.1 -1.44 . . . . 0.0 110.452 178.794 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -64.26 -61.2 2.4 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 120.033 -0.667 . . . . 0.0 112.328 -178.476 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.599 ' CE3' ' OH ' ' A' ' 26' ' ' TYR . 21.4 t-105 -69.26 -43.45 73.9 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 119.793 -0.763 . . . . 0.0 111.623 179.064 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.667 ' HB2' ' O ' ' B' ' 87' ' ' ASN . 93.9 mt-10 -97.64 148.07 23.68 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 114.391 -1.277 . . . . 0.0 111.713 -179.539 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -103.82 137.84 41.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.562 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 29.3 t . . . . . 0 C--O 1.221 -0.407 0 CA-C-O 117.976 -1.012 . . . . 0.0 110.642 -179.988 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 201' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 201' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.747 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.6 p -69.6 162.95 26.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.757 0.313 . . . . 0.0 110.398 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -61.03 -36.42 79.5 Favored 'General case' 0 C--O 1.238 0.46 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -179.385 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.456 ' O ' HD23 ' A' ' 4' ' ' LEU . 5.6 tt -59.65 -41.87 91.53 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 119.032 -1.067 . . . . 0.0 108.172 -178.505 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.602 ' OE2' HD22 ' B' ' 41' ' ' LEU . 71.5 mm-40 -65.84 -36.31 83.11 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.786 177.832 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 42.6 m -58.74 -41.29 86.12 Favored 'General case' 0 C--O 1.238 0.46 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 178.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.72 -46.08 83.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.724 179.125 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 99.4 mtp -59.45 -41.3 89.34 Favored 'General case' 0 C--O 1.247 0.957 0 CA-C-O 121.732 0.777 . . . . 0.0 109.608 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.21 -35.77 82.08 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.987 177.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 53.6 m -63.46 -43.12 98.27 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 119.494 -0.882 . . . . 0.0 109.92 179.168 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 36.9 mt -61.58 -42.49 98.92 Favored 'General case' 0 C--O 1.241 0.653 0 C-N-CA 119.16 -1.016 . . . . 0.0 108.703 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.9 mt -61.2 -45.25 98.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.035 178.458 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -62.13 -40.9 97.46 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -179.014 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.9 m -74.41 -41.44 49.81 Favored 'Isoleucine or valine' 0 C--O 1.256 1.441 0 C-N-CA 119.165 -1.014 . . . . 0.0 111.238 -179.365 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -60.37 -47.8 84.49 Favored 'General case' 0 CA--C 1.512 -0.494 0 C-N-CA 119.105 -1.038 . . . . 0.0 109.701 177.31 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -63.9 -34.66 78.46 Favored 'General case' 0 CA--C 1.5 -0.955 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.942 177.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.532 ' O ' ' HB2' ' A' ' 21' ' ' LYS . . . -57.99 -51.78 68.22 Favored 'General case' 0 N--CA 1.434 -1.234 0 C-N-CA 118.532 -1.267 . . . . 0.0 109.513 -178.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.467 ' CD2' ' HG ' ' A' ' 36' ' ' LEU . 25.4 m-70 -79.07 -53.37 7.07 Favored 'General case' 0 C--O 1.242 0.7 0 N-CA-C 114.658 1.355 . . . . 0.0 114.658 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.469 ' OG ' ' O ' ' A' ' 25' ' ' LYS . 25.7 t -57.67 -40.07 78.52 Favored 'General case' 0 CA--C 1.519 -0.222 0 C-N-CA 118.738 -1.185 . . . . 0.0 108.574 -179.478 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.13 -43.68 89.37 Favored Glycine 0 C--N 1.341 0.838 0 CA-C-N 115.197 -0.911 . . . . 0.0 111.544 178.019 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.532 ' HB2' ' O ' ' A' ' 17' ' ' ALA . 5.9 ttpm? -59.52 -42.19 91.67 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.219 -0.592 . . . . 0.0 112.377 -178.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -128.8 148.97 50.91 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 114.028 1.122 . . . . 0.0 114.028 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.17 -133.8 50.8 Favored Glycine 0 N--CA 1.465 0.609 0 CA-C-N 115.062 -0.972 . . . . 0.0 113.312 176.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -79.51 127.93 32.74 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 114.726 -0.737 . . . . 0.0 109.8 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.469 ' O ' ' OG ' ' A' ' 19' ' ' SER . 33.2 mtmt -57.79 -31.94 67.05 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.229 -0.896 . . . . 0.0 112.933 -177.139 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.595 ' OH ' ' CE3' ' B' ' 90' ' ' TRP . 98.8 m-85 -106.3 19.85 19.87 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -177.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.437 ' CG ' ' OE2' ' A' ' 68' ' ' GLU . 16.8 tptm -139.99 143.27 36.39 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.287 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.1 tp -116.31 130.46 56.79 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.905 -176.43 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 35.1 t -102.14 162.34 12.99 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 -179.462 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.7 ttpt -52.1 -46.31 65.2 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-O 121.161 0.505 . . . . 0.0 111.204 -178.297 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.601 ' HG3' ' N ' ' A' ' 32' ' ' GLU . 54.3 pttt -60.4 -48.6 81.03 Favored 'General case' 0 N--CA 1.437 -1.08 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.004 -178.673 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.601 ' N ' ' HG3' ' A' ' 31' ' ' LYS . 93.7 mt-10 -64.13 -52.13 60.61 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.3 -178.122 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.0 pp -60.38 -36.38 77.92 Favored 'General case' 0 CA--C 1.499 -1.008 0 C-N-CA 119.29 -0.964 . . . . 0.0 110.731 -179.076 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.8 tptm -55.79 -36.45 67.4 Favored 'General case' 0 N--CA 1.432 -1.351 0 C-N-CA 117.759 -1.576 . . . . 0.0 107.97 178.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.754 ' O ' HG23 ' A' ' 39' ' ' THR . 96.8 mt-10 -75.14 -40.61 59.57 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 179.381 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.747 ' O ' HD23 ' A' ' 36' ' ' LEU . 3.0 tt -65.51 -46.04 81.21 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 120.322 -0.551 . . . . 0.0 111.458 -177.309 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.582 ' O ' ' N ' ' A' ' 41' ' ' LEU . 1.1 mm? -64.44 -41.94 96.27 Favored 'General case' 0 CA--C 1.519 -0.221 0 C-N-CA 118.858 -1.137 . . . . 0.0 110.84 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -64.01 -39.78 94.87 Favored 'General case' 0 C--O 1.231 0.129 0 C-N-CA 120.358 -0.537 . . . . 0.0 111.948 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.754 HG23 ' O ' ' A' ' 35' ' ' GLU . 71.6 p -71.1 -38.5 72.36 Favored 'General case' 0 C--N 1.334 -0.101 0 C-N-CA 119.999 -0.68 . . . . 0.0 111.536 -179.725 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -91.09 -50.77 5.67 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.603 HD22 ' OE2' ' B' ' 5' ' ' GLU . 29.5 mt -107.42 143.12 36.21 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 121.245 0.545 . . . . 0.0 111.57 -179.152 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.1 -66.51 1.08 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.229 178.821 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.29 -37.87 92.5 Favored Glycine 0 CA--C 1.533 1.186 0 CA-C-N 115.663 -0.699 . . . . 0.0 113.834 -179.033 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -60.05 -52.62 64.57 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 118.071 0.935 . . . . 0.0 112.203 -177.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -74.23 -40.89 62.11 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 120.281 -0.567 . . . . 0.0 111.151 178.291 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -61.28 -33.58 73.8 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.611 -0.722 . . . . 0.0 112.071 -179.547 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.63 -32.85 69.43 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -177.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 94.7 mm-40 -60.72 -33.77 73.4 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.138 -0.625 . . . . 0.0 109.864 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.5 tttp 71.09 -35.8 0.34 Allowed 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.488 -0.778 . . . . 0.0 112.23 179.407 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -70.15 142.59 52.49 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.305 -0.558 . . . . 0.0 111.231 -179.59 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.8 m -72.72 -30.05 32.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.801 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -86.63 5.3 36.54 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.254 0.55 . . . . 0.0 110.081 179.691 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.618 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -56.62 -38.77 72.54 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.852 -178.656 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.58 HG13 ' N ' ' A' ' 55' ' ' ASP . 7.0 p -60.3 -43.74 94.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.671 0 C-N-CA 119.788 -0.765 . . . . 0.0 110.168 179.223 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.58 ' N ' HG13 ' A' ' 54' ' ' VAL . 91.7 m-20 -61.49 -43.24 99.22 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.059 179.365 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -62.67 -37.52 86.76 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.112 -0.635 . . . . 0.0 109.816 178.346 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 53' ' ' ALA . 68.0 t -64.21 -45.72 95.49 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 CA-C-N 115.699 -0.682 . . . . 0.0 112.733 -178.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.505 ' CE ' ' O ' ' A' ' 67' ' ' GLY . 2.2 ptp -66.66 -33.62 76.06 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 118.818 -1.153 . . . . 0.0 113.113 -178.722 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 35.8 mmtt -59.25 -42.02 90.17 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 119.363 -0.935 . . . . 0.0 112.069 -178.139 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -66.2 -41.44 90.19 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.095 -0.642 . . . . 0.0 110.896 179.298 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.436 ' O ' ' CD ' ' A' ' 73' ' ' GLU . 78.5 mt -68.81 -32.11 71.58 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.82 -1.082 . . . . 0.0 112.741 -179.377 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.611 ' OD2' ' N ' ' A' ' 66' ' ' ASP . 50.7 t0 -74.3 94.13 2.47 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 -175.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 -65.68 -46.85 77.54 Favored 'General case' 0 CA--C 1.509 -0.632 0 CA-C-O 122.613 1.197 . . . . 0.0 110.622 175.494 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 31.5 m120 -59.57 -35.27 73.94 Favored 'General case' 0 C--N 1.304 -1.41 0 CA-C-N 112.493 -2.14 . . . . 0.0 112.183 -178.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.505 ' H ' ' CG ' ' A' ' 62' ' ' ASP . . . 86.1 14.91 65.85 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 108.988 -1.645 . . . . 0.0 108.988 -177.729 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.611 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 27.0 p-10 -87.6 6.46 34.42 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 115.085 -0.558 . . . . 0.0 112.279 -179.017 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.564 ' N ' ' OD2' ' A' ' 62' ' ' ASP . . . 64.76 -2.53 2.55 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.198 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.465 ' H ' ' C ' ' A' ' 66' ' ' ASP . 82.5 tt0 -112.8 144.22 42.72 Favored 'General case' 0 C--O 1.241 0.62 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 45.7 t -102.35 132.92 47.39 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.656 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.279 -176.467 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.492 ' C ' ' OD1' ' A' ' 70' ' ' ASP . 39.6 p30 -100.16 171.6 7.7 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.215 0.531 . . . . 0.0 110.352 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -54.51 -45.45 73.3 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.765 -178.477 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -61.87 -41.15 97.51 Favored 'General case' 0 C--O 1.243 0.76 0 C-N-CA 120.054 -0.659 . . . . 0.0 112.163 -179.446 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.447 ' O ' HG22 ' A' ' 76' ' ' VAL . 96.7 mt-10 -64.82 -41.61 95.63 Favored 'General case' 0 C--O 1.243 0.712 0 CA-C-O 122.139 0.971 . . . . 0.0 109.877 179.175 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 68.8 t80 -63.37 -41.36 98.8 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-N 114.933 -1.031 . . . . 0.0 110.241 178.076 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.622 HG13 ' HB1' ' B' ' 79' ' ' ALA . 0.5 OUTLIER -60.16 -47.64 91.24 Favored 'Isoleucine or valine' 0 C--O 1.248 1.003 0 CA-C-N 113.86 -1.518 . . . . 0.0 110.064 -179.013 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.447 HG22 ' O ' ' A' ' 73' ' ' GLU . 13.5 m -67.59 -34.54 68.83 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.495 0 C-N-CA 117.804 -1.559 . . . . 0.0 109.279 178.71 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.56 ' O ' HD13 ' A' ' 81' ' ' LEU . 32.7 tp -56.64 -50.77 71.08 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 118.676 -1.21 . . . . 0.0 111.666 178.116 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 35.2 m -68.44 -36.66 75.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 118.403 -1.319 . . . . 0.0 111.7 -179.019 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.712 ' HB2' ' HB2' ' B' ' 79' ' ' ALA . . . -68.41 -48.2 65.27 Favored 'General case' 0 C--O 1.252 1.218 0 C-N-CA 119.146 -1.022 . . . . 0.0 112.007 -179.453 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.78 -39.84 95.48 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.09 179.544 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.56 HD13 ' O ' ' A' ' 77' ' ' LEU . 9.3 mp -65.3 -35.22 80.33 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 119.302 -0.959 . . . . 0.0 109.965 176.761 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 35.8 m -62.29 -50.63 70.92 Favored 'General case' 0 C--O 1.249 1.072 0 C-N-CA 119.692 -0.803 . . . . 0.0 111.393 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.8 p -63.59 -38.25 81.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 119.175 -1.01 . . . . 0.0 110.548 178.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.45 -31.44 72.53 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.236 178.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 4.8 t -69.87 -55.09 10.67 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.881 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.432 HD21 ' C ' ' A' ' 86' ' ' ASN . 0.4 OUTLIER -56.8 -40.93 76.83 Favored 'General case' 0 C--O 1.243 0.713 0 C-N-CA 118.029 -1.468 . . . . 0.0 108.969 179.309 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.652 ' ND2' ' OE1' ' A' ' 91' ' ' GLU . 14.1 t30 -60.49 -37.73 82.0 Favored 'General case' 0 C--O 1.201 -1.493 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 178.25 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.519 ' O ' ' O ' ' A' ' 91' ' ' GLU . 67.7 t80 -60.33 -41.59 93.86 Favored 'General case' 0 C--N 1.313 -0.997 0 C-N-CA 118.712 -1.195 . . . . 0.0 109.432 179.53 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -65.88 -59.7 3.6 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 112.943 0.72 . . . . 0.0 112.943 -179.029 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.597 ' CE3' ' OH ' ' B' ' 26' ' ' TYR . 20.4 t-105 -69.35 -46.26 67.44 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-O 121.885 0.85 . . . . 0.0 111.63 179.599 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.652 ' OE1' ' ND2' ' A' ' 87' ' ' ASN . 36.4 mt-10 -95.05 145.64 24.83 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 114.129 -1.396 . . . . 0.0 111.033 179.396 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -102.07 121.8 42.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.553 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 47.6 t . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.572 179.924 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.699 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 52.8 p -69.7 163.04 26.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.72 0.295 . . . . 0.0 110.407 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -61.15 -36.4 79.69 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -179.293 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.458 ' O ' HD23 ' B' ' 4' ' ' LEU . 5.6 tt -59.58 -41.99 91.47 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 119.054 -1.058 . . . . 0.0 108.147 -178.522 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.603 ' OE2' HD22 ' A' ' 41' ' ' LEU . 71.5 mm-40 -65.76 -36.38 83.39 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.786 177.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 44.9 m -58.75 -41.04 85.57 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 178.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.03 -45.96 83.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.64 179.158 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 99.3 mtp -59.53 -41.29 89.67 Favored 'General case' 0 C--O 1.247 0.955 0 CA-C-O 121.664 0.745 . . . . 0.0 109.639 179.714 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.2 -36.46 84.25 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.918 177.678 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 52.5 m -62.69 -43.36 99.02 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 119.487 -0.885 . . . . 0.0 110.088 179.006 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 42.7 mt -61.62 -42.39 98.81 Favored 'General case' 0 C--O 1.241 0.654 0 C-N-CA 119.172 -1.011 . . . . 0.0 108.64 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 98.0 mt -61.15 -45.26 98.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.026 178.442 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -62.16 -40.87 97.43 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 -178.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 15.8 m -74.37 -41.43 50.12 Favored 'Isoleucine or valine' 0 C--O 1.255 1.368 0 C-N-CA 119.189 -1.004 . . . . 0.0 111.27 -179.474 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -60.39 -47.84 84.31 Favored 'General case' 0 CA--C 1.511 -0.535 0 C-N-CA 119.066 -1.054 . . . . 0.0 109.682 177.337 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -63.75 -34.72 78.51 Favored 'General case' 0 CA--C 1.501 -0.931 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.972 177.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.537 ' O ' ' HB2' ' B' ' 21' ' ' LYS . . . -58.03 -51.69 68.63 Favored 'General case' 0 N--CA 1.434 -1.262 0 C-N-CA 118.42 -1.312 . . . . 0.0 109.577 -178.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.485 ' CD2' ' HG ' ' B' ' 36' ' ' LEU . 25.2 m-70 -79.02 -53.42 7.04 Favored 'General case' 0 C--O 1.241 0.623 0 N-CA-C 114.606 1.336 . . . . 0.0 114.606 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.462 ' OG ' ' O ' ' B' ' 25' ' ' LYS . 26.0 t -57.82 -39.99 78.91 Favored 'General case' 0 C--O 1.232 0.182 0 C-N-CA 118.713 -1.195 . . . . 0.0 108.535 -179.395 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.25 -43.55 88.61 Favored Glycine 0 C--N 1.341 0.807 0 CA-C-N 115.23 -0.895 . . . . 0.0 111.557 178.027 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.537 ' HB2' ' O ' ' B' ' 17' ' ' ALA . 5.9 ttpm? -59.5 -42.25 91.73 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.232 -0.587 . . . . 0.0 112.352 -179.01 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -128.76 148.94 50.89 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 113.968 1.099 . . . . 0.0 113.968 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.23 -133.72 50.97 Favored Glycine 0 CA--C 1.524 0.635 0 CA-C-N 115.02 -0.991 . . . . 0.0 113.238 176.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -79.56 127.97 32.8 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 114.728 -0.736 . . . . 0.0 109.844 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.462 ' O ' ' OG ' ' B' ' 19' ' ' SER . 33.2 mtmt -57.9 -31.87 67.18 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.252 -0.886 . . . . 0.0 112.947 -177.051 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.597 ' OH ' ' CE3' ' A' ' 90' ' ' TRP . 98.9 m-85 -106.18 19.73 20.07 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 113.178 0.807 . . . . 0.0 113.178 -178.002 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.432 ' CG ' ' OE2' ' B' ' 68' ' ' GLU . 16.8 tptm -140.07 143.41 36.3 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 179.276 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 13.1 tp -116.3 130.48 56.8 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.984 -176.433 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 35.2 t -102.21 162.3 13.02 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 122.839 0.456 . . . . 0.0 111.112 -179.482 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 23.6 ttpt -52.02 -46.33 64.94 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-O 121.177 0.513 . . . . 0.0 111.185 -178.28 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.609 ' HG3' ' N ' ' B' ' 32' ' ' GLU . 54.6 pttt -60.49 -48.58 81.13 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.891 -178.586 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.609 ' N ' ' HG3' ' B' ' 31' ' ' LYS . 93.6 mt-10 -64.12 -52.13 60.64 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.261 -178.092 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 2.0 pp -60.41 -36.37 77.98 Favored 'General case' 0 CA--C 1.499 -1.004 0 C-N-CA 119.236 -0.986 . . . . 0.0 110.759 -179.045 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 10.7 tptm -55.83 -36.32 67.36 Favored 'General case' 0 N--CA 1.432 -1.338 0 C-N-CA 117.723 -1.591 . . . . 0.0 107.984 178.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.76 ' O ' HG23 ' B' ' 39' ' ' THR . 96.8 mt-10 -75.25 -40.46 58.93 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 112.754 0.649 . . . . 0.0 112.754 179.281 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.746 ' O ' HD23 ' B' ' 36' ' ' LEU . 3.0 tt -65.54 -46.06 81.03 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 120.328 -0.549 . . . . 0.0 111.495 -177.364 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.581 ' O ' ' N ' ' B' ' 41' ' ' LEU . 1.2 mm? -64.44 -41.94 96.28 Favored 'General case' 0 CA--C 1.52 -0.184 0 C-N-CA 118.881 -1.127 . . . . 0.0 110.762 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -64.05 -39.75 94.78 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 120.381 -0.528 . . . . 0.0 111.972 179.58 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.76 HG23 ' O ' ' B' ' 35' ' ' GLU . 70.1 p -71.09 -38.49 72.41 Favored 'General case' 0 N--CA 1.461 0.099 0 C-N-CA 119.979 -0.688 . . . . 0.0 111.585 -179.779 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -91.14 -50.75 5.67 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.689 -0.404 . . . . 0.0 112.008 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.602 HD22 ' OE2' ' A' ' 5' ' ' GLU . 29.3 mt -107.31 143.14 36.0 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.321 0.581 . . . . 0.0 111.617 -179.175 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.15 -66.47 1.08 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.193 178.805 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.34 -37.86 92.54 Favored Glycine 0 CA--C 1.533 1.179 0 CA-C-N 115.721 -0.672 . . . . 0.0 113.828 -179.024 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -60.01 -52.63 64.57 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 118.086 0.943 . . . . 0.0 112.199 -178.002 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -74.2 -40.99 62.11 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 120.307 -0.557 . . . . 0.0 111.088 178.337 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -61.26 -33.6 73.79 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.634 -0.712 . . . . 0.0 112.056 -179.529 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.57 -32.86 69.32 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -177.588 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 94.8 mm-40 -60.76 -33.79 73.48 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.143 -0.623 . . . . 0.0 109.85 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 37.6 tttp 71.14 -35.73 0.34 Allowed 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.482 -0.781 . . . . 0.0 112.191 179.327 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -70.28 142.64 52.25 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.218 -0.593 . . . . 0.0 111.177 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 4.7 m -72.63 -30.13 32.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.861 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -86.6 5.3 36.39 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.23 0.538 . . . . 0.0 110.084 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.624 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -56.59 -38.84 72.56 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.835 -178.693 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.601 HG13 ' N ' ' B' ' 55' ' ' ASP . 7.2 p -60.21 -43.78 94.04 Favored 'Isoleucine or valine' 0 C--O 1.242 0.704 0 C-N-CA 119.783 -0.767 . . . . 0.0 110.173 179.211 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.601 ' N ' HG13 ' B' ' 54' ' ' VAL . 91.7 m-20 -61.49 -43.27 99.16 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.043 179.379 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -62.62 -37.57 86.79 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.101 -0.64 . . . . 0.0 109.757 178.36 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.624 HG23 ' O ' ' B' ' 53' ' ' ALA . 68.2 t -64.16 -45.77 95.44 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 CA-C-N 115.738 -0.665 . . . . 0.0 112.745 -178.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.496 ' CE ' ' O ' ' B' ' 67' ' ' GLY . 2.2 ptp -66.57 -33.68 76.2 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 118.821 -1.152 . . . . 0.0 113.162 -178.751 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 35.7 mmtt -59.28 -42.01 90.25 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 119.357 -0.937 . . . . 0.0 112.047 -178.092 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -66.19 -41.42 90.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.486 0.66 . . . . 0.0 110.887 179.28 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.44 ' O ' ' CD ' ' B' ' 73' ' ' GLU . 78.4 mt -68.8 -32.2 71.75 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.869 -1.06 . . . . 0.0 112.701 -179.328 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.604 ' OD2' ' N ' ' B' ' 66' ' ' ASP . 50.8 t0 -74.24 94.11 2.44 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 113.087 0.773 . . . . 0.0 113.087 -175.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 78.7 tt0 -65.76 -46.9 77.07 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-O 122.645 1.212 . . . . 0.0 110.505 175.607 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 31.5 m120 -59.38 -35.33 73.71 Favored 'General case' 0 C--N 1.305 -1.361 0 CA-C-N 112.513 -2.13 . . . . 0.0 112.298 -178.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.501 ' H ' ' CG ' ' B' ' 62' ' ' ASP . . . 86.08 14.9 65.91 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 108.975 -1.65 . . . . 0.0 108.975 -177.683 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.604 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 27.0 p-10 -87.61 6.45 34.5 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 115.151 -0.524 . . . . 0.0 112.358 -179.088 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.498 ' N ' ' OD2' ' B' ' 62' ' ' ASP . . . 64.82 -2.51 2.6 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.091 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.463 ' H ' ' C ' ' B' ' 66' ' ' ASP . 82.5 tt0 -112.79 144.28 42.6 Favored 'General case' 0 C--O 1.24 0.566 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 46.1 t -102.4 133.0 47.29 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.717 0 C-N-CA 120.622 -0.431 . . . . 0.0 111.22 -176.454 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.493 ' OD1' ' C ' ' B' ' 70' ' ' ASP . 39.5 p30 -100.16 171.61 7.7 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 121.251 0.548 . . . . 0.0 110.353 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -54.49 -45.49 73.26 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.7 -178.494 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -61.86 -41.2 97.55 Favored 'General case' 0 C--O 1.244 0.8 0 C-N-CA 120.084 -0.646 . . . . 0.0 112.099 -179.387 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.44 ' CD ' ' O ' ' B' ' 61' ' ' LEU . 96.7 mt-10 -64.88 -41.55 95.54 Favored 'General case' 0 C--O 1.242 0.697 0 CA-C-O 122.092 0.949 . . . . 0.0 109.864 179.226 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -63.45 -41.27 98.65 Favored 'General case' 0 C--O 1.242 0.694 0 CA-C-O 122.219 1.009 . . . . 0.0 110.265 178.057 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.617 HG13 ' HB1' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -60.18 -47.64 91.29 Favored 'Isoleucine or valine' 0 C--O 1.249 1.037 0 CA-C-N 113.858 -1.519 . . . . 0.0 110.047 -179.055 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.44 HG22 ' O ' ' B' ' 73' ' ' GLU . 13.4 m -67.75 -34.42 67.59 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 C-N-CA 117.835 -1.546 . . . . 0.0 109.29 178.716 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.559 ' O ' HD13 ' B' ' 81' ' ' LEU . 32.5 tp -56.68 -50.76 71.18 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 118.62 -1.232 . . . . 0.0 111.638 178.061 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 35.2 m -68.5 -36.54 75.17 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 C-N-CA 118.359 -1.336 . . . . 0.0 111.746 -179.009 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.712 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . . . -68.49 -48.23 64.99 Favored 'General case' 0 C--O 1.251 1.169 0 C-N-CA 119.092 -1.043 . . . . 0.0 111.914 -179.401 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.81 -39.81 95.42 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.597 -0.728 . . . . 0.0 109.042 179.591 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.559 HD13 ' O ' ' B' ' 77' ' ' LEU . 9.2 mp -65.24 -35.3 80.61 Favored 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 119.272 -0.971 . . . . 0.0 109.963 176.755 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 35.6 m -62.31 -50.57 71.13 Favored 'General case' 0 C--O 1.249 1.045 0 C-N-CA 119.634 -0.826 . . . . 0.0 111.343 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 13.6 p -63.58 -38.23 81.69 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 C-N-CA 119.188 -1.005 . . . . 0.0 110.536 178.646 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.46 -31.34 72.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.273 178.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 4.8 t -69.97 -55.05 10.62 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.87 -179.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -56.84 -40.82 76.76 Favored 'General case' 0 C--O 1.241 0.646 0 C-N-CA 117.923 -1.511 . . . . 0.0 109.007 179.343 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 87' ' ' ASN . . . . . 0.653 ' ND2' ' OE1' ' B' ' 91' ' ' GLU . 14.0 t30 -60.54 -37.73 82.17 Favored 'General case' 0 C--O 1.201 -1.464 0 N-CA-C 107.75 -1.204 . . . . 0.0 107.75 178.251 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.514 ' O ' ' O ' ' B' ' 91' ' ' GLU . 67.3 t80 -60.17 -41.7 93.41 Favored 'General case' 0 C--N 1.313 -0.985 0 C-N-CA 118.783 -1.167 . . . . 0.0 109.49 179.441 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -65.87 -59.66 3.64 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 112.897 0.703 . . . . 0.0 112.897 -178.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.595 ' CE3' ' OH ' ' A' ' 26' ' ' TYR . 20.3 t-105 -69.47 -46.19 67.26 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-O 121.774 0.797 . . . . 0.0 111.601 179.651 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.653 ' OE1' ' ND2' ' B' ' 87' ' ' ASN . 36.4 mt-10 -95.05 145.63 24.83 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 114.151 -1.386 . . . . 0.0 111.184 179.274 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -102.03 121.88 43.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.566 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 47.5 t . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.97 -1.015 . . . . 0.0 110.547 179.958 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 201' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 201' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.666 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.428 ' CB ' ' O ' ' B' ' 40' ' ' GLU . 92.5 p -126.28 157.27 38.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.7 0.286 . . . . 0.0 110.255 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -61.37 -38.42 86.94 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -179.021 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.629 ' O ' HD23 ' A' ' 4' ' ' LEU . 5.3 tt -63.65 -41.98 98.15 Favored 'General case' 0 C--O 1.24 0.556 0 C-N-CA 119.299 -0.96 . . . . 0.0 108.681 -179.304 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.445 ' OE1' ' C ' ' A' ' 5' ' ' GLU . 6.1 tm-20 -63.87 -40.0 95.52 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 114.698 -1.137 . . . . 0.0 109.267 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 44.5 m -60.27 -40.44 90.38 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.305 178.69 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.43 -44.13 95.43 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.04 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 98.8 mtp -59.34 -40.69 87.2 Favored 'General case' 0 C--O 1.248 1.007 0 CA-C-O 121.732 0.777 . . . . 0.0 109.288 178.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -64.82 -35.91 82.63 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.048 177.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 50.9 m -64.22 -43.21 95.66 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 119.779 -0.769 . . . . 0.0 110.167 179.586 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 38.0 mt -62.04 -42.65 99.4 Favored 'General case' 0 C--O 1.243 0.714 0 C-N-CA 119.243 -0.983 . . . . 0.0 109.058 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.561 HG23 ' ND2' ' B' ' 86' ' ' ASN . 97.8 mt -61.99 -45.93 97.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.428 178.596 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -61.98 -41.18 97.74 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 -178.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.8 m -73.31 -41.33 57.61 Favored 'Isoleucine or valine' 0 C--O 1.255 1.355 0 C-N-CA 119.2 -1.0 . . . . 0.0 111.398 -179.452 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -59.94 -47.5 85.52 Favored 'General case' 0 CA--C 1.512 -0.487 0 C-N-CA 118.962 -1.095 . . . . 0.0 109.768 177.427 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -63.31 -35.46 80.43 Favored 'General case' 0 CA--C 1.503 -0.857 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.86 178.204 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.551 ' O ' ' HB2' ' A' ' 21' ' ' LYS . . . -57.2 -51.57 68.8 Favored 'General case' 0 N--CA 1.436 -1.142 0 C-N-CA 118.962 -1.095 . . . . 0.0 109.602 -178.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.47 ' HB2' HD12 ' A' ' 36' ' ' LEU . 46.2 m80 -79.22 -52.3 8.33 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 114.754 1.39 . . . . 0.0 114.754 -179.759 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' A' ' 24' ' ' ASP . 23.1 t -58.34 -40.95 83.51 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 118.864 -1.135 . . . . 0.0 109.184 -179.069 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -71.81 -43.95 49.07 Favored Glycine 0 C--N 1.344 0.979 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.433 178.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.551 ' HB2' ' O ' ' A' ' 17' ' ' ALA . 6.8 ttpm? -58.78 -44.26 90.64 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 120.046 -0.661 . . . . 0.0 112.069 -179.68 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.526 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 84.7 tt0 -135.86 140.47 44.18 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.369 -0.532 . . . . 0.0 111.128 -179.571 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.88 -162.92 52.13 Favored Glycine 0 CA--C 1.521 0.416 0 C-N-CA 120.799 -0.715 . . . . 0.0 111.341 178.451 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.4 ' O ' ' OG ' ' A' ' 19' ' ' SER . 88.3 m-20 -67.4 141.79 56.93 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 178.643 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.499 ' HZ1' ' HH2' ' B' ' 90' ' ' TRP . 32.2 mtmt -60.56 -32.22 71.29 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.075 -0.511 . . . . 0.0 112.201 -177.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.6 ' OH ' ' CD2' ' B' ' 90' ' ' TRP . 96.9 m-85 -107.23 19.13 20.78 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 -177.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.3 tptt -137.84 138.15 38.85 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 118.956 -1.098 . . . . 0.0 108.988 178.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.0 tp -113.66 126.28 55.08 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 -178.587 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 87.3 p -98.24 167.63 10.74 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.74 -0.209 . . . . 0.0 110.975 -179.332 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.8 ttpt -53.27 -49.28 67.25 Favored 'General case' 0 C--O 1.241 0.645 0 CA-C-O 121.121 0.486 . . . . 0.0 112.263 -178.023 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.586 ' HG3' ' N ' ' A' ' 32' ' ' GLU . 23.9 pttm -61.48 -48.01 83.06 Favored 'General case' 0 N--CA 1.441 -0.896 0 C-N-CA 120.053 -0.659 . . . . 0.0 110.372 -178.794 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.586 ' N ' ' HG3' ' A' ' 31' ' ' LYS . 94.4 mt-10 -62.69 -49.8 73.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.808 -0.633 . . . . 0.0 112.06 -178.644 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 pp -61.11 -36.68 80.37 Favored 'General case' 0 CA--C 1.499 -1.001 0 C-N-CA 118.673 -1.211 . . . . 0.0 110.095 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.6 tptp -56.0 -36.41 67.89 Favored 'General case' 0 N--CA 1.434 -1.226 0 C-N-CA 118.058 -1.457 . . . . 0.0 108.073 178.389 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.856 ' O ' HG23 ' A' ' 39' ' ' THR . 97.4 mt-10 -73.84 -40.04 63.59 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 112.697 0.628 . . . . 0.0 112.697 179.205 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.755 ' O ' HD23 ' A' ' 36' ' ' LEU . 3.8 tt -65.9 -45.36 82.24 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 119.849 -0.74 . . . . 0.0 111.325 -177.268 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.569 ' O ' ' O ' ' A' ' 41' ' ' LEU . 1.2 mm? -64.48 -43.13 95.15 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 118.76 -1.176 . . . . 0.0 110.937 179.705 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -63.48 -39.32 94.15 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.349 -0.54 . . . . 0.0 111.592 179.461 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.856 HG23 ' O ' ' A' ' 35' ' ' GLU . 66.3 p -71.84 -33.08 68.16 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.726 -0.39 . . . . 0.0 111.558 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.466 ' O ' ' OG ' ' B' ' 2' ' ' SER . 76.4 mm-40 -101.65 -60.01 1.6 Allowed 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 -178.816 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.569 ' O ' ' O ' ' A' ' 37' ' ' LEU . 53.2 mt -99.56 140.73 33.33 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.258 0.552 . . . . 0.0 111.71 -178.83 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -110.72 -60.95 1.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.708 179.52 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.8 -39.52 93.88 Favored Glycine 0 CA--C 1.532 1.107 0 CA-C-N 115.823 -0.626 . . . . 0.0 114.397 -177.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -61.54 -52.27 65.16 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 118.124 0.962 . . . . 0.0 112.534 -177.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -73.04 -38.92 66.35 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.292 -0.563 . . . . 0.0 111.55 178.61 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 57.0 t0 -60.46 -30.73 69.85 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.554 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.55 -29.74 62.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 112.098 -177.426 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 90.4 mm-40 -91.41 117.89 30.07 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 119.503 -0.879 . . . . 0.0 110.038 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -63.49 -36.28 83.25 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 -179.013 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -69.89 142.31 53.02 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -177.385 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.3 m -73.93 -26.93 21.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.223 178.492 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -79.75 1.51 26.39 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.18 -0.918 . . . . 0.0 109.612 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.496 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -56.95 -36.72 70.6 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.832 -179.409 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.613 HG13 ' N ' ' A' ' 55' ' ' ASP . 7.7 p -59.75 -44.07 93.02 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 C-N-CA 119.965 -0.694 . . . . 0.0 109.877 178.672 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.613 ' N ' HG13 ' A' ' 54' ' ' VAL . 90.6 m-20 -61.45 -42.3 98.55 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.443 179.133 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 69.2 mttm -60.81 -38.73 86.4 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.003 179.047 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 53' ' ' ALA . 78.2 t -65.11 -44.69 95.56 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.341 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.537 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -69.99 -32.92 71.36 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 114.457 1.28 . . . . 0.0 114.457 -178.642 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 17.0 mtmm -58.41 -41.17 84.36 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 119.714 -0.794 . . . . 0.0 113.064 -177.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -72.35 -35.09 68.45 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 119.657 -0.817 . . . . 0.0 110.501 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.468 ' O ' ' CD ' ' A' ' 73' ' ' GLU . 93.0 mt -67.42 -35.08 78.54 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-N 115.78 -0.645 . . . . 0.0 112.567 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.502 ' OD1' ' OD1' ' A' ' 66' ' ' ASP . 47.3 t0 -73.19 90.72 1.6 Allowed 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 118.406 -1.317 . . . . 0.0 111.368 -177.516 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -65.31 -47.52 76.27 Favored 'General case' 0 CA--C 1.509 -0.598 0 CA-C-O 122.676 1.226 . . . . 0.0 111.476 176.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 31.8 m120 -59.61 -34.74 73.15 Favored 'General case' 0 C--N 1.3 -1.564 0 CA-C-N 112.53 -2.123 . . . . 0.0 112.999 -178.126 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 89.19 3.88 75.19 Favored Glycine 0 CA--C 1.529 0.922 0 N-CA-C 107.994 -2.042 . . . . 0.0 107.994 -176.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.638 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 50.1 p30 -61.79 -31.98 72.23 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 113.858 -1.171 . . . . 0.0 112.967 -179.687 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.638 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 99.35 -4.52 58.48 Favored Glycine 0 CA--C 1.521 0.438 0 N-CA-C 109.026 -1.63 . . . . 0.0 109.026 -178.175 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.515 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 55.8 mp0 -112.85 154.84 25.67 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-N 114.493 -0.853 . . . . 0.0 110.908 178.096 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 46.8 t -106.83 131.2 57.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 177.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.501 ' C ' ' OD1' ' A' ' 70' ' ' ASP . 24.8 p30 -101.54 171.23 7.69 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 119.842 -0.743 . . . . 0.0 110.565 -178.685 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -53.48 -44.92 69.37 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.094 -178.508 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -62.1 -40.94 97.55 Favored 'General case' 0 C--O 1.241 0.637 0 C-N-CA 120.379 -0.528 . . . . 0.0 112.203 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.468 ' CD ' ' O ' ' A' ' 61' ' ' LEU . 92.4 mt-10 -65.04 -41.44 95.21 Favored 'General case' 0 C--O 1.241 0.611 0 CA-C-O 122.2 1.0 . . . . 0.0 109.658 179.538 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -63.51 -41.45 98.51 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-N 114.68 -1.145 . . . . 0.0 109.985 178.322 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.607 HG13 ' HB1' ' B' ' 79' ' ' ALA . 0.5 OUTLIER -60.31 -47.79 90.88 Favored 'Isoleucine or valine' 0 C--O 1.247 0.925 0 CA-C-N 113.813 -1.54 . . . . 0.0 110.236 -178.945 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.429 HG22 ' O ' ' A' ' 73' ' ' GLU . 13.4 m -68.15 -34.07 64.44 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 C-N-CA 118.021 -1.472 . . . . 0.0 109.229 178.818 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.73 ' O ' HD13 ' A' ' 81' ' ' LEU . 23.9 tp -57.16 -51.09 70.7 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 118.819 -1.152 . . . . 0.0 111.391 178.514 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.411 ' O ' ' OG1' ' A' ' 82' ' ' THR . 34.3 m -68.79 -36.44 74.27 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 C-N-CA 118.6 -1.24 . . . . 0.0 111.781 -179.272 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.706 ' HB2' ' HB2' ' B' ' 79' ' ' ALA . . . -68.47 -49.21 61.45 Favored 'General case' 0 C--O 1.251 1.136 0 C-N-CA 119.113 -1.035 . . . . 0.0 111.882 -179.22 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.01 -38.95 93.23 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 179.457 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.73 HD13 ' O ' ' A' ' 77' ' ' LEU . 10.3 mp -65.57 -34.36 78.07 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 119.152 -1.019 . . . . 0.0 109.713 176.671 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 34.5 m -62.68 -50.56 70.68 Favored 'General case' 0 C--O 1.247 0.934 0 C-N-CA 119.9 -0.72 . . . . 0.0 111.127 179.738 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.4 p -64.06 -39.8 86.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 119.14 -1.024 . . . . 0.0 110.986 179.143 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.91 -30.17 70.72 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 121.044 0.45 . . . . 0.0 110.064 178.657 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 24.3 t -68.48 -55.41 11.86 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.821 -179.547 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.42 HD21 ' C ' ' A' ' 86' ' ' ASN . 0.4 OUTLIER -56.96 -40.61 76.8 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 118.375 -1.33 . . . . 0.0 108.765 179.184 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -59.07 -38.49 79.57 Favored 'General case' 0 CA--C 1.522 -0.124 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.792 178.12 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.546 ' O ' ' O ' ' A' ' 91' ' ' GLU . 67.7 t80 -63.89 -45.87 87.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.312 179.678 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -64.42 -51.65 62.08 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.402 -0.519 . . . . 0.0 111.857 -178.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.591 ' CD2' ' OH ' ' B' ' 26' ' ' TYR . 22.2 t-105 -65.59 -39.81 92.02 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-O 121.216 0.531 . . . . 0.0 112.113 179.504 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.571 ' OE1' ' N ' ' A' ' 92' ' ' ASN . 3.7 tm-20 -104.3 140.53 37.74 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.835 -176.791 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.571 ' N ' ' OE1' ' A' ' 91' ' ' GLU . 24.0 m120 -105.1 137.78 42.32 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.513 179.753 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.1 t . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.546 -179.952 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.729 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' SER . . . . . 0.466 ' OG ' ' O ' ' A' ' 40' ' ' GLU . 91.7 p -126.18 157.33 38.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.621 0.248 . . . . 0.0 110.349 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.49 -38.45 87.35 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 112.408 0.522 . . . . 0.0 112.408 -178.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.622 ' O ' HD23 ' B' ' 4' ' ' LEU . 5.3 tt -63.57 -42.04 98.35 Favored 'General case' 0 C--O 1.24 0.575 0 C-N-CA 119.388 -0.925 . . . . 0.0 108.714 -179.358 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.454 ' C ' ' OE1' ' B' ' 5' ' ' GLU . 6.1 tm-20 -63.85 -39.96 95.46 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 114.654 -1.157 . . . . 0.0 109.23 179.705 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 45.7 m -60.51 -40.14 90.33 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.284 178.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.68 -44.09 94.75 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.063 179.498 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 98.7 mtp -59.25 -40.83 87.21 Favored 'General case' 0 C--O 1.248 0.978 0 CA-C-O 121.713 0.768 . . . . 0.0 109.33 178.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -64.79 -36.46 84.38 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.272 -0.876 . . . . 0.0 109.981 178.101 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 48.3 m -63.49 -43.5 97.09 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 119.814 -0.754 . . . . 0.0 110.347 179.304 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 43.1 mt -62.03 -42.55 99.3 Favored 'General case' 0 C--O 1.242 0.661 0 C-N-CA 119.3 -0.96 . . . . 0.0 109.074 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.401 HG23 ' OD1' ' A' ' 86' ' ' ASN . 97.9 mt -61.92 -45.97 97.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.395 -0.821 . . . . 0.0 111.424 178.556 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -62.0 -41.27 97.87 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 -178.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 14.9 m -73.22 -41.37 58.19 Favored 'Isoleucine or valine' 0 C--O 1.256 1.423 0 C-N-CA 119.144 -1.023 . . . . 0.0 111.419 -179.468 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -59.9 -47.49 85.56 Favored 'General case' 0 CA--C 1.512 -0.488 0 C-N-CA 118.929 -1.108 . . . . 0.0 109.867 177.39 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -63.19 -35.54 80.65 Favored 'General case' 0 CA--C 1.503 -0.846 0 CA-C-N 115.241 -0.89 . . . . 0.0 109.798 178.135 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.558 ' O ' ' HB2' ' B' ' 21' ' ' LYS . . . -57.27 -51.47 69.23 Favored 'General case' 0 N--CA 1.437 -1.118 0 C-N-CA 118.875 -1.13 . . . . 0.0 109.641 -178.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.505 ' HB2' HD12 ' B' ' 36' ' ' LEU . 46.0 m80 -79.07 -52.51 8.11 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 114.737 1.384 . . . . 0.0 114.737 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.411 ' OG ' ' O ' ' B' ' 25' ' ' LYS . 23.1 t -58.23 -41.05 83.26 Favored 'General case' 0 C--N 1.34 0.169 0 C-N-CA 118.827 -1.149 . . . . 0.0 109.276 -179.072 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -71.7 -44.04 49.82 Favored Glycine 0 C--N 1.344 0.977 0 CA-C-N 115.497 -0.774 . . . . 0.0 112.461 178.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.558 ' HB2' ' O ' ' B' ' 17' ' ' ALA . 6.8 ttpm? -58.79 -44.2 90.65 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 120.015 -0.674 . . . . 0.0 112.086 -179.654 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.529 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 84.7 tt0 -135.84 140.57 44.29 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.279 -0.568 . . . . 0.0 111.086 -179.579 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.83 -162.9 52.17 Favored Glycine 0 CA--C 1.521 0.428 0 C-N-CA 120.823 -0.703 . . . . 0.0 111.399 178.411 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -67.39 141.74 56.96 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 178.593 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.412 ' HZ1' ' HH2' ' A' ' 90' ' ' TRP . 32.3 mtmt -60.58 -32.18 71.29 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.105 -0.498 . . . . 0.0 112.194 -177.83 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.591 ' OH ' ' CD2' ' A' ' 90' ' ' TRP . 96.9 m-85 -107.22 19.18 20.72 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 -177.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 28.5 tptt -137.85 138.11 38.8 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 118.943 -1.103 . . . . 0.0 109.032 178.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 14.0 tp -113.55 126.28 55.12 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 -178.632 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 87.2 p -98.29 167.59 10.76 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.507 0.194 . . . . 0.0 110.898 -179.324 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 24.8 ttpt -53.21 -49.29 67.05 Favored 'General case' 0 C--O 1.241 0.632 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -178.009 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.58 ' HG3' ' N ' ' B' ' 32' ' ' GLU . 23.7 pttm -61.55 -48.03 82.86 Favored 'General case' 0 N--CA 1.441 -0.878 0 C-N-CA 120.102 -0.639 . . . . 0.0 110.262 -178.697 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.58 ' N ' ' HG3' ' B' ' 31' ' ' LYS . 94.4 mt-10 -62.64 -49.8 73.73 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.165 -0.614 . . . . 0.0 111.985 -178.628 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 pp -61.19 -36.64 80.42 Favored 'General case' 0 CA--C 1.499 -0.983 0 C-N-CA 118.673 -1.211 . . . . 0.0 110.066 -179.627 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 15.6 tptp -56.02 -36.33 67.84 Favored 'General case' 0 N--CA 1.435 -1.196 0 C-N-CA 118.083 -1.447 . . . . 0.0 108.074 178.421 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.877 ' O ' HG23 ' B' ' 39' ' ' THR . 97.4 mt-10 -73.96 -39.95 63.38 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 179.177 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.746 ' O ' HD23 ' B' ' 36' ' ' LEU . 3.9 tt -65.87 -45.38 82.31 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 119.809 -0.756 . . . . 0.0 111.314 -177.308 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.563 ' O ' ' O ' ' B' ' 41' ' ' LEU . 1.2 mm? -64.53 -43.07 95.17 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 118.682 -1.207 . . . . 0.0 110.942 179.758 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -63.46 -39.23 93.9 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 120.316 -0.554 . . . . 0.0 111.678 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.877 HG23 ' O ' ' B' ' 35' ' ' GLU . 67.7 p -71.91 -33.09 68.02 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.686 -0.405 . . . . 0.0 111.574 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.428 ' O ' ' CB ' ' A' ' 2' ' ' SER . 76.6 mm-40 -101.65 -59.99 1.61 Allowed 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 -178.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.563 ' O ' ' O ' ' B' ' 37' ' ' LEU . 53.3 mt -99.55 140.78 33.24 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.317 0.58 . . . . 0.0 111.798 -178.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -110.82 -60.95 1.75 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.679 179.614 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.86 -39.45 93.93 Favored Glycine 0 CA--C 1.531 1.04 0 CA-C-N 115.886 -0.597 . . . . 0.0 114.426 -177.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -61.57 -52.23 65.28 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 118.16 0.98 . . . . 0.0 112.539 -178.051 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -73.06 -38.88 66.3 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.321 -0.552 . . . . 0.0 111.544 178.626 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -60.54 -30.73 69.94 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.587 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.46 -29.83 62.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.061 -0.518 . . . . 0.0 112.137 -177.518 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -91.38 118.04 30.19 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 119.453 -0.899 . . . . 0.0 110.023 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -63.59 -36.25 83.19 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 113.796 1.035 . . . . 0.0 113.796 -179.052 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -69.86 142.31 53.07 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -177.409 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 4.4 m -73.94 -26.88 21.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.228 178.501 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -79.82 1.52 26.57 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.531 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.492 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -56.95 -36.74 70.63 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.9 -179.399 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.624 HG13 ' N ' ' B' ' 55' ' ' ASP . 7.8 p -59.7 -43.96 92.58 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 C-N-CA 119.873 -0.731 . . . . 0.0 109.96 178.625 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.624 ' N ' HG13 ' B' ' 54' ' ' VAL . 90.7 m-20 -61.57 -42.25 98.57 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.479 179.138 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -60.85 -38.64 86.21 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.028 179.011 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.492 HG23 ' O ' ' B' ' 53' ' ' ALA . 77.9 t -65.17 -44.71 95.33 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.319 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.514 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -69.96 -32.94 71.44 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 -178.639 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 17.0 mtmm -58.49 -41.13 84.61 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 119.768 -0.773 . . . . 0.0 113.026 -177.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -72.35 -35.09 68.44 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 119.616 -0.834 . . . . 0.0 110.493 179.614 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.465 ' O ' ' CD ' ' B' ' 73' ' ' GLU . 92.8 mt -67.38 -35.12 78.69 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.602 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.509 ' OD1' ' OD1' ' B' ' 66' ' ' ASP . 47.1 t0 -73.09 90.64 1.55 Allowed 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 118.412 -1.315 . . . . 0.0 111.393 -177.531 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -65.37 -47.47 76.3 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 122.59 1.186 . . . . 0.0 111.415 176.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 31.8 m120 -59.65 -34.68 73.13 Favored 'General case' 0 C--N 1.3 -1.587 0 CA-C-N 112.565 -2.107 . . . . 0.0 113.036 -178.127 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 89.25 3.73 75.22 Favored Glycine 0 CA--C 1.528 0.896 0 N-CA-C 108.003 -2.039 . . . . 0.0 108.003 -176.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.65 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 50.1 p30 -61.74 -31.96 72.17 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 113.85 -1.175 . . . . 0.0 113.041 -179.673 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.65 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 99.51 -4.71 58.32 Favored Glycine 0 CA--C 1.521 0.442 0 N-CA-C 109.004 -1.638 . . . . 0.0 109.004 -178.189 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.489 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 55.8 mp0 -112.86 154.72 25.87 Favored 'General case' 0 C--O 1.241 0.613 0 CA-C-N 114.531 -0.835 . . . . 0.0 110.965 178.208 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 46.6 t -106.69 131.19 57.16 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 177.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.494 ' OD1' ' C ' ' B' ' 70' ' ' ASP . 25.5 p30 -101.34 171.21 7.73 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 119.836 -0.746 . . . . 0.0 110.601 -178.732 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -53.6 -44.77 69.69 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.09 -178.597 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -62.13 -41.05 97.88 Favored 'General case' 0 C--O 1.242 0.669 0 C-N-CA 120.401 -0.52 . . . . 0.0 112.235 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.465 ' CD ' ' O ' ' B' ' 61' ' ' LEU . 92.4 mt-10 -64.95 -41.45 95.49 Favored 'General case' 0 C--O 1.24 0.565 0 CA-C-O 122.253 1.025 . . . . 0.0 109.671 179.529 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 59.7 t80 -63.49 -41.41 98.55 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-N 114.666 -1.152 . . . . 0.0 110.015 178.329 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.606 HG13 ' HB1' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -60.31 -47.84 90.7 Favored 'Isoleucine or valine' 0 C--O 1.247 0.931 0 CA-C-N 113.766 -1.561 . . . . 0.0 110.245 -178.924 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.418 HG22 ' O ' ' B' ' 73' ' ' GLU . 13.1 m -68.04 -34.17 65.33 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 C-N-CA 118.024 -1.47 . . . . 0.0 109.273 178.721 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.738 ' O ' HD13 ' B' ' 81' ' ' LEU . 23.8 tp -57.08 -51.14 70.47 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 118.793 -1.163 . . . . 0.0 111.456 178.537 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 34.3 m -68.77 -36.37 73.99 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 C-N-CA 118.557 -1.257 . . . . 0.0 111.822 -179.306 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.706 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . . . -68.44 -49.24 61.36 Favored 'General case' 0 C--O 1.251 1.144 0 C-N-CA 119.121 -1.032 . . . . 0.0 111.935 -179.279 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.01 -38.85 92.83 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.738 HD13 ' O ' ' B' ' 77' ' ' LEU . 10.2 mp -65.59 -34.5 78.39 Favored 'General case' 0 C--O 1.217 -0.655 0 C-N-CA 119.154 -1.018 . . . . 0.0 109.67 176.643 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 34.2 m -62.59 -50.53 70.91 Favored 'General case' 0 C--O 1.246 0.896 0 C-N-CA 119.872 -0.731 . . . . 0.0 111.075 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 13.2 p -64.11 -39.7 86.43 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 119.135 -1.026 . . . . 0.0 111.029 179.161 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.95 -30.18 70.71 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.062 178.575 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 24.0 t -68.43 -55.47 11.78 Favored 'General case' 0 CA--C 1.509 -0.608 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.836 -179.548 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.561 ' ND2' HG23 ' A' ' 12' ' ' ILE . 53.9 t-20 -56.96 -40.62 76.8 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 118.362 -1.335 . . . . 0.0 108.725 179.204 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -59.18 -38.29 79.43 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.805 178.22 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.545 ' O ' ' O ' ' B' ' 91' ' ' GLU . 67.8 t80 -63.93 -45.91 87.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.289 179.6 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -64.39 -51.75 61.66 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.416 -0.514 . . . . 0.0 111.773 -178.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.6 ' CD2' ' OH ' ' A' ' 26' ' ' TYR . 21.9 t-105 -65.61 -39.68 91.78 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-O 121.181 0.515 . . . . 0.0 112.142 179.572 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.568 ' OE1' ' N ' ' B' ' 92' ' ' ASN . 3.7 tm-20 -104.31 140.44 37.88 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.86 -176.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 92' ' ' ASN . . . . . 0.568 ' N ' ' OE1' ' B' ' 91' ' ' GLU . 24.0 m120 -105.02 137.72 42.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.482 179.732 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 8.3 t . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 118.052 -0.975 . . . . 0.0 110.642 -179.978 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 201' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 201' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.572 ' O ' ' OE1' ' B' ' 40' ' ' GLU . . . . . . . . 0 CA--C 1.525 0.674 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.8 p -84.46 11.83 7.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.893 0.378 . . . . 0.0 110.937 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 78.1 tt0 -50.14 -33.22 18.19 Favored 'General case' 0 C--O 1.245 0.843 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.847 -176.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.496 ' O ' HD23 ' A' ' 4' ' ' LEU . 6.3 tt -54.55 -41.2 69.5 Favored 'General case' 0 C--O 1.242 0.683 0 N-CA-C 107.713 -1.217 . . . . 0.0 107.713 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.6 ' OE2' HD22 ' B' ' 41' ' ' LEU . 71.7 mm-40 -64.38 -35.72 81.82 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.349 177.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 43.6 m -58.24 -42.1 85.62 Favored 'General case' 0 C--O 1.238 0.481 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 178.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.18 -44.22 92.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.576 178.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 99.2 mtp -59.38 -41.19 88.76 Favored 'General case' 0 C--O 1.249 1.078 0 CA-C-O 121.816 0.817 . . . . 0.0 109.621 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -64.76 -35.55 81.45 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-N 115.133 -0.94 . . . . 0.0 109.459 177.64 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 55.3 m -63.34 -43.44 97.72 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 119.2 -1.0 . . . . 0.0 110.39 179.06 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 38.2 mt -61.03 -42.56 98.71 Favored 'General case' 0 C--O 1.241 0.632 0 C-N-CA 119.101 -1.04 . . . . 0.0 108.459 -179.685 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.9 mt -61.12 -45.55 98.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.261 178.406 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -62.49 -41.52 98.86 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 113.237 0.828 . . . . 0.0 113.237 -178.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.424 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 14.4 m -73.54 -41.99 55.91 Favored 'Isoleucine or valine' 0 C--O 1.26 1.618 0 C-N-CA 119.195 -1.002 . . . . 0.0 110.822 -179.448 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -60.63 -46.59 89.71 Favored 'General case' 0 CA--C 1.509 -0.613 0 C-N-CA 119.39 -0.924 . . . . 0.0 109.381 177.273 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -62.04 -36.42 81.56 Favored 'General case' 0 CA--C 1.503 -0.853 0 CA-C-N 114.997 -1.001 . . . . 0.0 109.756 178.165 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.552 ' O ' ' HB2' ' A' ' 21' ' ' LYS . . . -57.39 -51.27 70.08 Favored 'General case' 0 N--CA 1.435 -1.206 0 C-N-CA 119.065 -1.054 . . . . 0.0 109.598 -178.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.481 ' HB2' HD12 ' A' ' 36' ' ' LEU . 30.4 m80 -79.27 -52.58 7.94 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 114.809 1.411 . . . . 0.0 114.809 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.479 ' OG ' ' O ' ' A' ' 24' ' ' ASP . 20.0 t -58.31 -40.19 81.39 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 119.319 -0.952 . . . . 0.0 109.498 -178.733 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.17 -44.96 27.28 Favored Glycine 0 C--N 1.345 1.07 0 CA-C-N 115.847 -0.615 . . . . 0.0 112.468 178.692 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.552 ' HB2' ' O ' ' A' ' 17' ' ' ALA . 6.7 ttpm? -58.18 -44.07 87.83 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 120.183 -0.607 . . . . 0.0 111.802 -179.64 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.532 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 84.7 tt0 -133.33 137.06 45.76 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.204 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.57 -164.16 53.97 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 178.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.479 ' O ' ' OG ' ' A' ' 19' ' ' SER . 88.3 m-20 -70.08 142.97 52.57 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 178.62 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.451 ' C ' ' OG ' ' A' ' 19' ' ' SER . 51.0 mttm -60.54 -32.95 71.98 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.82 0.819 . . . . 0.0 110.344 -178.785 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.595 ' OH ' ' CE3' ' B' ' 90' ' ' TRP . 97.9 m-85 -102.71 15.9 27.99 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 114.666 -1.152 . . . . 0.0 112.939 -175.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.575 ' NZ ' ' OD2' ' A' ' 66' ' ' ASP . 5.1 tptt -140.8 138.39 34.03 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 118.948 -1.101 . . . . 0.0 109.39 178.745 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.3 tp -113.43 129.55 56.52 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 -178.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.4 t -102.11 159.59 15.25 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.662 -0.245 . . . . 0.0 110.456 -179.133 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.9 ttpt -52.35 -46.78 66.27 Favored 'General case' 0 C--O 1.239 0.541 0 C-N-CA 120.439 -0.504 . . . . 0.0 111.231 -178.172 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.581 ' HG3' ' N ' ' A' ' 32' ' ' GLU . 21.7 pttm -60.36 -48.25 82.55 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.116 -178.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.581 ' N ' ' HG3' ' A' ' 31' ' ' LYS . 94.7 mt-10 -62.97 -48.48 78.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.031 -178.653 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 pp -62.25 -34.3 76.26 Favored 'General case' 0 CA--C 1.497 -1.082 0 C-N-CA 118.699 -1.2 . . . . 0.0 110.368 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.475 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 0.8 OUTLIER -54.92 -36.67 65.5 Favored 'General case' 0 N--CA 1.435 -1.211 0 C-N-CA 117.743 -1.583 . . . . 0.0 107.583 178.25 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.857 ' O ' HG23 ' A' ' 39' ' ' THR . 97.2 mt-10 -75.62 -41.31 54.66 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 178.812 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.75 ' O ' HD23 ' A' ' 36' ' ' LEU . 2.4 tt -66.19 -46.77 76.13 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 120.097 -0.641 . . . . 0.0 111.879 -176.839 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.583 ' N ' ' CD2' ' A' ' 37' ' ' LEU . 1.2 mm? -65.01 -41.75 95.06 Favored 'General case' 0 CA--C 1.52 -0.206 0 C-N-CA 118.611 -1.235 . . . . 0.0 110.872 -179.657 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.475 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 25.7 mt-30 -64.34 -39.78 94.56 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.418 -0.513 . . . . 0.0 111.924 179.425 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.857 HG23 ' O ' ' A' ' 35' ' ' GLU . 63.9 p -70.97 -39.24 72.64 Favored 'General case' 0 C--N 1.334 -0.105 0 C-N-CA 120.215 -0.594 . . . . 0.0 111.568 -179.659 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.566 ' OE1' ' O ' ' B' ' 1' ' ' GLY . 80.1 mm-40 -90.87 -48.98 6.69 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.69 -0.404 . . . . 0.0 111.908 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.599 HD22 ' OE2' ' B' ' 5' ' ' GLU . 26.3 mt -107.62 142.5 37.47 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.24 0.543 . . . . 0.0 111.377 -179.403 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.7 t -115.87 -65.86 1.14 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.329 178.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.85 -38.03 91.64 Favored Glycine 0 CA--C 1.532 1.104 0 CA-C-N 115.73 -0.668 . . . . 0.0 113.712 -179.082 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -60.77 -53.41 57.69 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 117.954 0.877 . . . . 0.0 112.132 -178.043 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -74.24 -39.71 62.87 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 120.36 -0.536 . . . . 0.0 111.068 178.302 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -61.34 -30.03 70.26 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.503 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.83 -29.29 59.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.118 -0.492 . . . . 0.0 112.012 -177.308 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -90.08 118.96 30.02 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 119.467 -0.893 . . . . 0.0 109.687 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.1 tttp -62.72 -39.69 94.86 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 -178.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -70.36 142.41 52.13 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 -177.401 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.6 m -73.01 -27.62 24.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 178.26 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -72.54 -6.27 42.75 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 114.887 -1.051 . . . . 0.0 109.391 179.101 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.422 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -55.44 -37.75 68.11 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.198 -178.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.584 HG13 ' N ' ' A' ' 55' ' ' ASP . 9.9 p -59.95 -42.99 91.3 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 C-N-CA 119.609 -0.836 . . . . 0.0 109.888 178.285 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.584 ' N ' HG13 ' A' ' 54' ' ' VAL . 88.3 m-20 -61.52 -42.36 98.69 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.652 179.485 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 53.4 mttp -60.95 -39.16 88.44 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.254 -0.578 . . . . 0.0 110.237 179.248 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 53' ' ' ALA . 75.0 t -66.15 -45.09 91.15 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.499 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.418 -179.615 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.401 ' HG3' ' N ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER -70.72 -35.86 72.93 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 114.506 1.299 . . . . 0.0 114.506 -178.142 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.401 ' N ' ' HG3' ' A' ' 58' ' ' MET . 28.7 mmtm -60.47 -40.44 91.23 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 119.852 -0.739 . . . . 0.0 112.94 -179.115 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -71.24 -35.76 71.55 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 119.425 -0.91 . . . . 0.0 110.435 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 63' ' ' GLU . 97.6 mt -67.16 -36.14 81.19 Favored 'General case' 0 CA--C 1.509 -0.616 0 CA-C-N 116.001 -0.545 . . . . 0.0 112.028 179.447 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.409 ' CG ' ' H ' ' A' ' 65' ' ' GLY . 44.3 t0 -71.51 71.39 0.68 Allowed 'General case' 0 N--CA 1.444 -0.74 0 C-N-CA 118.312 -1.355 . . . . 0.0 110.634 -178.399 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 61' ' ' LEU . 86.8 tt0 -62.71 -36.99 84.77 Favored 'General case' 0 CA--C 1.497 -1.07 0 N-CA-C 107.15 -1.426 . . . . 0.0 107.15 175.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.481 ' OD1' ' OD2' ' A' ' 66' ' ' ASP . 17.7 t-20 -57.31 -39.6 76.15 Favored 'General case' 0 N--CA 1.429 -1.488 0 CA-C-N 111.582 -2.553 . . . . 0.0 111.275 178.834 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.409 ' H ' ' CG ' ' A' ' 62' ' ' ASP . . . 80.07 18.49 71.99 Favored Glycine 0 CA--C 1.529 0.935 0 C-N-CA 121.314 -0.47 . . . . 0.0 112.781 178.069 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.575 ' OD2' ' NZ ' ' A' ' 27' ' ' LYS . 53.8 p30 -88.79 2.02 54.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 117.41 0.605 . . . . 0.0 112.328 -179.716 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 86.46 -2.48 87.41 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.519 -1.033 . . . . 0.0 110.519 178.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.509 ' OE1' ' O ' ' A' ' 66' ' ' ASP . 55.9 mp0 -122.09 161.14 23.61 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 115.38 -0.41 . . . . 0.0 110.398 179.594 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 47.9 t -101.82 130.26 51.8 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 N-CA-C 106.326 -1.731 . . . . 0.0 106.326 176.089 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.524 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 49.6 t0 -99.94 161.88 13.34 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.233 0.54 . . . . 0.0 111.823 -177.133 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.524 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 1.0 OUTLIER -50.36 -44.66 54.7 Favored 'General case' 0 C--O 1.217 -0.654 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.695 -178.451 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.425 ' HG2' HG21 ' B' ' 83' ' ' VAL . 94.3 mt-30 -61.98 -40.37 95.38 Favored 'General case' 0 C--O 1.244 0.814 0 C-N-CA 119.731 -0.788 . . . . 0.0 110.741 178.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.506 ' O ' HG22 ' A' ' 76' ' ' VAL . 76.1 mt-10 -64.15 -42.97 96.55 Favored 'General case' 0 C--O 1.244 0.798 0 CA-C-O 122.53 1.157 . . . . 0.0 109.733 -179.759 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -63.34 -41.02 98.85 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 114.232 -1.349 . . . . 0.0 110.256 178.592 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.636 HG13 ' HB1' ' B' ' 79' ' ' ALA . 0.5 OUTLIER -59.91 -47.72 90.51 Favored 'Isoleucine or valine' 0 C--O 1.247 0.972 0 CA-C-N 113.771 -1.559 . . . . 0.0 109.661 -178.957 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.506 HG22 ' O ' ' A' ' 73' ' ' GLU . 17.1 m -67.13 -34.71 71.34 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.587 0 C-N-CA 117.794 -1.563 . . . . 0.0 109.466 178.563 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.692 ' O ' HD13 ' A' ' 81' ' ' LEU . 25.7 tp -57.59 -50.25 73.73 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 118.826 -1.15 . . . . 0.0 111.866 178.518 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 35.1 m -69.02 -36.0 71.69 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.254 0 C-N-CA 118.658 -1.217 . . . . 0.0 111.587 -179.223 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.725 ' HB2' ' HB2' ' B' ' 79' ' ' ALA . . . -68.48 -48.03 65.54 Favored 'General case' 0 C--O 1.248 0.996 0 C-N-CA 118.996 -1.082 . . . . 0.0 111.691 -179.301 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.26 -39.79 95.57 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.13 179.575 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.692 HD13 ' O ' ' A' ' 77' ' ' LEU . 10.3 mp -65.27 -34.77 79.13 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 119.425 -0.91 . . . . 0.0 109.909 176.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 35.9 m -63.47 -50.3 70.26 Favored 'General case' 0 C--O 1.245 0.852 0 C-N-CA 119.845 -0.742 . . . . 0.0 111.454 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.459 ' O ' ' OD1' ' A' ' 87' ' ' ASN . 13.7 p -63.74 -38.93 83.59 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 C-N-CA 119.042 -1.063 . . . . 0.0 110.524 178.742 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.51 -30.62 71.4 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.832 178.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 38.7 t -67.57 -54.31 20.94 Favored 'General case' 0 CA--C 1.51 -0.588 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.43 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -55.9 -41.07 73.96 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 118.635 -1.226 . . . . 0.0 108.563 178.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.459 ' OD1' ' O ' ' A' ' 83' ' ' VAL . 25.1 m120 -59.22 -38.24 79.46 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.768 178.18 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -63.42 -46.97 83.89 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.936 179.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -62.87 -49.6 74.23 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -178.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.587 ' CE3' ' OH ' ' B' ' 26' ' ' TYR . 11.0 t-105 -71.75 -51.1 24.47 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-O 121.296 0.569 . . . . 0.0 112.421 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.447 ' OE1' ' C ' ' A' ' 91' ' ' GLU . 7.9 tm-20 -63.86 -32.89 74.56 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 115.229 -0.896 . . . . 0.0 112.135 -177.495 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 -100.23 120.21 39.55 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.397 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 117.952 -1.023 . . . . 0.0 110.597 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 1' ' ' GLY . . . . . 0.566 ' O ' ' OE1' ' A' ' 40' ' ' GLU . . . . . . . . 0 C--O 1.221 -0.698 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 34.1 p -84.51 11.85 7.98 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 122.567 0.347 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -50.21 -33.17 18.54 Favored 'General case' 0 C--O 1.246 0.901 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.791 -176.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.494 ' O ' HD23 ' B' ' 4' ' ' LEU . 6.3 tt -54.54 -41.23 69.49 Favored 'General case' 0 C--O 1.243 0.718 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.599 ' OE2' HD22 ' A' ' 41' ' ' LEU . 71.5 mm-40 -64.41 -35.67 81.67 Favored 'General case' 0 CA--C 1.512 -0.501 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.426 177.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 42.7 m -58.28 -41.9 85.36 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 178.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.36 -44.14 92.36 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.573 178.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 99.2 mtp -59.45 -41.17 89.05 Favored 'General case' 0 C--O 1.25 1.107 0 CA-C-O 121.77 0.795 . . . . 0.0 109.642 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -64.69 -36.2 83.52 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.372 177.7 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 54.0 m -62.56 -43.77 97.99 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 119.329 -0.948 . . . . 0.0 110.438 178.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 42.4 mt -60.99 -42.41 98.33 Favored 'General case' 0 C--O 1.241 0.608 0 C-N-CA 119.07 -1.052 . . . . 0.0 108.545 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.8 mt -61.27 -45.51 98.46 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.131 178.5 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -62.46 -41.54 98.83 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -178.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.428 ' O ' ' HB3' ' B' ' 17' ' ' ALA . 14.5 m -73.66 -41.85 55.07 Favored 'Isoleucine or valine' 0 C--O 1.26 1.617 0 C-N-CA 119.17 -1.012 . . . . 0.0 110.793 -179.382 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -60.68 -46.63 89.63 Favored 'General case' 0 CA--C 1.508 -0.636 0 C-N-CA 119.348 -0.941 . . . . 0.0 109.414 177.19 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -61.94 -36.4 81.27 Favored 'General case' 0 CA--C 1.502 -0.878 0 CA-C-N 114.988 -1.005 . . . . 0.0 109.847 178.079 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.558 ' O ' ' HB2' ' B' ' 21' ' ' LYS . . . -57.37 -51.32 69.86 Favored 'General case' 0 N--CA 1.435 -1.185 0 C-N-CA 119.104 -1.038 . . . . 0.0 109.609 -179.063 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.53 ' HA ' ' HZ1' ' B' ' 21' ' ' LYS . 30.3 m80 -79.19 -52.61 7.93 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 114.794 1.405 . . . . 0.0 114.794 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.505 ' OG ' ' O ' ' B' ' 24' ' ' ASP . 20.0 t -58.37 -40.26 81.79 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 119.457 -0.897 . . . . 0.0 109.444 -178.701 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.15 -44.95 27.41 Favored Glycine 0 C--N 1.345 1.053 0 CA-C-N 115.826 -0.625 . . . . 0.0 112.432 178.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.558 ' HB2' ' O ' ' B' ' 17' ' ' ALA . 6.7 ttpm? -58.22 -44.05 88.02 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 120.161 -0.616 . . . . 0.0 111.783 -179.567 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.543 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 84.7 tt0 -133.31 137.14 45.84 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.503 -0.479 . . . . 0.0 110.172 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.49 -164.13 54.03 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 178.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.505 ' O ' ' OG ' ' B' ' 19' ' ' SER . 88.6 m-20 -70.14 142.94 52.47 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 178.7 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.456 ' C ' ' OG ' ' B' ' 19' ' ' SER . 51.0 mttm -60.51 -32.97 71.96 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.682 0.753 . . . . 0.0 110.275 -178.781 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.587 ' OH ' ' CE3' ' A' ' 90' ' ' TRP . 97.8 m-85 -102.62 15.9 27.94 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 114.704 -1.135 . . . . 0.0 112.954 -175.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.554 ' NZ ' ' OD2' ' B' ' 66' ' ' ASP . 5.0 tptt -140.75 138.44 34.16 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 118.909 -1.117 . . . . 0.0 109.483 178.758 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 15.3 tp -113.55 129.43 56.56 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 -178.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 24.2 t -102.06 159.59 15.24 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.495 -179.06 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 23.0 ttpt -52.33 -46.72 66.17 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-O 121.205 0.526 . . . . 0.0 111.319 -178.17 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.574 ' HG3' ' N ' ' B' ' 32' ' ' GLU . 21.7 pttm -60.53 -48.1 83.27 Favored 'General case' 0 N--CA 1.44 -0.975 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.018 -178.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.574 ' N ' ' HG3' ' B' ' 31' ' ' LYS . 94.7 mt-10 -63.07 -48.52 78.3 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.963 -178.63 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 pp -62.2 -34.32 76.24 Favored 'General case' 0 CA--C 1.498 -1.051 0 C-N-CA 118.755 -1.178 . . . . 0.0 110.398 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.479 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 0.8 OUTLIER -54.93 -36.68 65.53 Favored 'General case' 0 N--CA 1.435 -1.19 0 C-N-CA 117.729 -1.588 . . . . 0.0 107.574 178.249 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.875 ' O ' HG23 ' B' ' 39' ' ' THR . 97.3 mt-10 -75.59 -41.31 54.88 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 178.755 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.752 ' O ' HD23 ' B' ' 36' ' ' LEU . 2.5 tt -66.19 -46.79 76.08 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 120.155 -0.618 . . . . 0.0 111.901 -176.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.584 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 1.1 mm? -64.91 -41.82 95.26 Favored 'General case' 0 CA--C 1.52 -0.211 0 C-N-CA 118.74 -1.184 . . . . 0.0 110.891 -179.727 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.479 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 25.7 mt-30 -64.4 -39.79 94.53 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.405 -0.518 . . . . 0.0 111.85 179.485 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.875 HG23 ' O ' ' B' ' 35' ' ' GLU . 63.0 p -70.95 -39.26 72.7 Favored 'General case' 0 C--O 1.232 0.158 0 C-N-CA 120.21 -0.596 . . . . 0.0 111.594 -179.63 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.572 ' OE1' ' O ' ' A' ' 1' ' ' GLY . 80.1 mm-40 -90.84 -49.04 6.66 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.752 -0.379 . . . . 0.0 111.938 179.723 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.6 HD22 ' OE2' ' A' ' 5' ' ' GLU . 26.3 mt -107.47 142.51 37.23 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.17 0.509 . . . . 0.0 111.409 -179.448 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 6.7 t -115.96 -65.8 1.15 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.268 178.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.87 -38.01 91.73 Favored Glycine 0 CA--C 1.531 1.066 0 CA-C-N 115.84 -0.618 . . . . 0.0 113.71 -179.036 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -60.74 -53.52 56.34 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 117.991 0.895 . . . . 0.0 112.145 -178.101 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -74.06 -39.83 63.22 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 120.427 -0.509 . . . . 0.0 111.121 178.23 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -61.23 -30.05 70.21 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.609 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.83 -29.25 59.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.041 -0.527 . . . . 0.0 112.052 -177.367 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 90.4 mm-40 -90.2 119.0 30.15 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 119.488 -0.885 . . . . 0.0 109.725 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 37.1 tttp -62.77 -39.6 94.69 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 -178.629 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -70.38 142.42 52.1 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -177.456 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 4.6 m -73.01 -27.63 24.98 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 178.252 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -72.56 -6.18 42.22 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 114.889 -1.05 . . . . 0.0 109.378 179.112 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.419 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -55.43 -37.76 68.1 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.137 -178.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.574 HG13 ' N ' ' B' ' 55' ' ' ASP . 9.9 p -59.97 -43.0 91.44 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 C-N-CA 119.573 -0.851 . . . . 0.0 109.827 178.354 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.574 ' N ' HG13 ' B' ' 54' ' ' VAL . 88.3 m-20 -61.5 -42.32 98.62 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.67 179.561 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 53.5 mttp -60.93 -39.21 88.55 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.248 -0.581 . . . . 0.0 110.265 179.228 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.419 HG23 ' O ' ' B' ' 53' ' ' ALA . 75.1 t -66.08 -45.19 91.16 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.488 0 CA-C-N 115.87 -0.605 . . . . 0.0 112.422 -179.621 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.401 ' HG3' ' N ' ' B' ' 59' ' ' LYS . 0.2 OUTLIER -70.67 -35.84 73.04 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 114.517 1.303 . . . . 0.0 114.517 -178.132 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.401 ' N ' ' HG3' ' B' ' 58' ' ' MET . 28.7 mmtm -60.55 -40.43 91.55 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 119.777 -0.769 . . . . 0.0 112.965 -179.114 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -71.22 -35.7 71.6 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 119.412 -0.915 . . . . 0.0 110.475 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' B' ' 63' ' ' GLU . 97.7 mt -67.2 -36.15 81.13 Favored 'General case' 0 CA--C 1.509 -0.635 0 CA-C-N 116.044 -0.525 . . . . 0.0 112.069 179.407 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.409 ' CG ' ' H ' ' B' ' 65' ' ' GLY . 44.4 t0 -71.48 71.38 0.67 Allowed 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 118.312 -1.355 . . . . 0.0 110.56 -178.37 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' B' ' 61' ' ' LEU . 86.8 tt0 -62.62 -37.21 85.4 Favored 'General case' 0 CA--C 1.498 -1.026 0 N-CA-C 107.078 -1.453 . . . . 0.0 107.078 175.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.482 ' OD1' ' OD2' ' B' ' 66' ' ' ASP . 17.7 t-20 -57.21 -39.53 75.63 Favored 'General case' 0 N--CA 1.429 -1.484 0 CA-C-N 111.515 -2.584 . . . . 0.0 111.388 178.797 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.409 ' H ' ' CG ' ' B' ' 62' ' ' ASP . . . 80.06 18.4 72.23 Favored Glycine 0 CA--C 1.529 0.958 0 C-N-CA 121.391 -0.433 . . . . 0.0 112.808 177.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.554 ' OD2' ' NZ ' ' B' ' 27' ' ' LYS . 54.2 p30 -88.6 1.94 54.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 117.373 0.586 . . . . 0.0 112.309 -179.742 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 86.47 -2.58 87.41 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.538 -1.025 . . . . 0.0 110.538 179.02 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.514 ' OE1' ' O ' ' B' ' 66' ' ' ASP . 55.9 mp0 -122.08 161.18 23.53 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 115.371 -0.414 . . . . 0.0 110.381 179.608 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 48.0 t -101.83 130.29 51.75 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 N-CA-C 106.337 -1.727 . . . . 0.0 106.337 176.17 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.542 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 49.0 t0 -99.83 161.82 13.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.267 0.556 . . . . 0.0 111.809 -177.058 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.542 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 1.0 OUTLIER -50.48 -44.62 55.85 Favored 'General case' 0 C--O 1.217 -0.64 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.598 -178.509 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.423 ' HG2' HG21 ' A' ' 83' ' ' VAL . 94.3 mt-30 -61.9 -40.33 95.06 Favored 'General case' 0 C--O 1.246 0.901 0 C-N-CA 119.733 -0.787 . . . . 0.0 110.799 178.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.504 ' O ' HG22 ' B' ' 76' ' ' VAL . 76.1 mt-10 -64.24 -43.07 96.03 Favored 'General case' 0 C--O 1.243 0.746 0 CA-C-O 122.518 1.151 . . . . 0.0 109.614 -179.685 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -63.17 -41.11 99.18 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.281 -1.327 . . . . 0.0 110.252 178.581 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.634 HG13 ' HB1' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -59.97 -47.66 90.83 Favored 'Isoleucine or valine' 0 C--O 1.248 0.978 0 CA-C-N 113.805 -1.543 . . . . 0.0 109.663 -178.898 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.504 HG22 ' O ' ' B' ' 73' ' ' GLU . 17.2 m -67.23 -34.62 70.4 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.584 0 C-N-CA 117.722 -1.591 . . . . 0.0 109.473 178.488 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.702 ' O ' HD13 ' B' ' 81' ' ' LEU . 25.7 tp -57.56 -50.36 73.36 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 118.886 -1.125 . . . . 0.0 111.791 178.467 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 34.9 m -68.88 -36.14 72.68 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 C-N-CA 118.78 -1.168 . . . . 0.0 111.596 -179.225 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.725 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . . . -68.4 -48.03 65.74 Favored 'General case' 0 C--O 1.25 1.084 0 C-N-CA 118.965 -1.094 . . . . 0.0 111.814 -179.371 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.23 -39.8 95.63 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.65 -0.704 . . . . 0.0 109.163 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.702 HD13 ' O ' ' B' ' 77' ' ' LEU . 10.2 mp -65.3 -34.81 79.22 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 119.509 -0.877 . . . . 0.0 109.881 176.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 36.8 m -63.43 -50.3 70.32 Favored 'General case' 0 C--O 1.246 0.908 0 C-N-CA 119.803 -0.759 . . . . 0.0 111.39 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.467 ' O ' ' OD1' ' B' ' 87' ' ' ASN . 13.8 p -63.7 -38.96 83.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 C-N-CA 119.057 -1.057 . . . . 0.0 110.535 178.801 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.45 -30.66 71.47 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.82 178.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 38.6 t -67.53 -54.47 19.72 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.384 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -55.82 -41.03 73.6 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 118.63 -1.228 . . . . 0.0 108.651 178.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 87' ' ' ASN . . . . . 0.467 ' OD1' ' O ' ' B' ' 83' ' ' VAL . 25.1 m120 -59.19 -38.33 79.59 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.816 178.141 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -63.39 -47.0 83.86 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.888 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -62.85 -49.6 74.25 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -178.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.595 ' CE3' ' OH ' ' A' ' 26' ' ' TYR . 10.9 t-105 -71.84 -50.99 24.65 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-O 121.24 0.543 . . . . 0.0 112.388 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.45 ' C ' ' OE1' ' B' ' 91' ' ' GLU . 7.9 tm-20 -63.91 -32.87 74.55 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 115.284 -0.871 . . . . 0.0 112.197 -177.579 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 46.2 t-20 -100.23 120.21 39.56 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.369 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.549 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 201' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 201' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.639 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.4 m -62.88 154.99 28.38 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 55.7 mp0 -61.76 -37.38 84.09 Favored 'General case' 0 C--O 1.241 0.636 0 C-N-CA 120.67 -0.412 . . . . 0.0 111.838 -179.318 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.516 HD22 HD21 ' B' ' 41' ' ' LEU . 5.7 tt -60.24 -40.12 89.13 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 107.583 -1.265 . . . . 0.0 107.583 -179.344 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.47 -37.43 87.49 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.002 178.285 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.1 m -59.12 -41.91 89.32 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 179.252 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.61 -45.07 88.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.549 179.157 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 99.2 mtp -59.65 -41.3 90.22 Favored 'General case' 0 C--O 1.248 0.991 0 CA-C-O 121.584 0.707 . . . . 0.0 109.733 179.562 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.84 -35.74 82.09 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.839 177.536 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 41.5 m -63.77 -43.23 97.01 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 119.523 -0.871 . . . . 0.0 110.145 179.326 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 37.4 mt -61.57 -42.53 98.98 Favored 'General case' 0 C--O 1.242 0.702 0 C-N-CA 119.295 -0.962 . . . . 0.0 108.821 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 99.5 mt -61.81 -46.78 95.78 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 C-N-CA 119.509 -0.876 . . . . 0.0 110.85 178.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -61.91 -40.78 96.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.885 -179.248 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.0 m -72.9 -39.78 59.06 Favored 'Isoleucine or valine' 0 C--O 1.246 0.888 0 C-N-CA 118.726 -1.19 . . . . 0.0 111.067 -179.428 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -60.88 -48.17 83.03 Favored 'General case' 0 C--N 1.345 0.374 0 C-N-CA 118.577 -1.249 . . . . 0.0 110.163 177.571 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -63.06 -36.0 82.11 Favored 'General case' 0 CA--C 1.504 -0.817 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.052 178.084 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.592 ' O ' ' HB2' ' A' ' 21' ' ' LYS . . . -55.37 -50.57 69.35 Favored 'General case' 0 CA--C 1.492 -1.27 0 C-N-CA 118.781 -1.168 . . . . 0.0 108.623 -179.213 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 1.056 ' ND1' HD11 ' A' ' 28' ' ' LEU . 13.4 t-80 -76.81 -55.54 5.39 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 116.256 1.947 . . . . 0.0 116.256 -177.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.43 ' OG ' ' O ' ' A' ' 25' ' ' LYS . 23.0 t -58.79 -41.21 86.15 Favored 'General case' 0 CA--C 1.509 -0.608 0 N-CA-C 107.88 -1.156 . . . . 0.0 107.88 -179.046 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.55 -43.41 94.64 Favored Glycine 0 C--N 1.349 1.258 0 O-C-N 124.642 1.214 . . . . 0.0 111.182 177.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.592 ' HB2' ' O ' ' A' ' 17' ' ' ALA . 5.4 ttpm? -60.08 -44.13 95.01 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 -178.822 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -131.97 141.84 49.42 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 113.709 1.004 . . . . 0.0 113.709 -177.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 63.83 -131.47 40.12 Favored Glycine 0 CA--C 1.524 0.603 0 CA-C-N 115.093 -0.958 . . . . 0.0 112.992 177.68 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -79.41 125.16 29.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.066 -0.567 . . . . 0.0 110.251 -179.598 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.43 ' O ' ' OG ' ' A' ' 19' ' ' SER . 35.3 mtmt -58.53 -32.46 68.88 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.38 -0.827 . . . . 0.0 112.914 -177.512 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.607 ' OH ' ' CH2' ' B' ' 90' ' ' TRP . 97.3 m-85 -107.85 19.71 19.72 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 -178.034 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.407 ' NZ ' ' OD2' ' A' ' 66' ' ' ASP . 34.6 tptt -143.23 145.56 32.87 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 119.154 -1.018 . . . . 0.0 109.447 179.231 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 1.056 HD11 ' ND1' ' A' ' 18' ' ' HIS . 5.7 tp -112.29 128.95 56.42 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 119.977 -0.689 . . . . 0.0 109.996 -177.593 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.8 t -103.66 156.9 17.44 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.4 ttpm? -53.75 -47.17 70.92 Favored 'General case' 0 C--O 1.244 0.789 0 CA-C-O 121.43 0.633 . . . . 0.0 111.948 -177.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.603 ' HG3' ' N ' ' A' ' 32' ' ' GLU . 55.1 pttt -59.41 -47.57 84.95 Favored 'General case' 0 N--CA 1.44 -0.939 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.367 -178.668 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.671 ' O ' ' NE2' ' A' ' 18' ' ' HIS . 94.8 mt-10 -62.7 -48.83 77.57 Favored 'General case' 0 C--O 1.244 0.8 0 CA-C-N 115.035 -0.984 . . . . 0.0 112.158 -178.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.8 pp -62.25 -33.47 74.67 Favored 'General case' 0 CA--C 1.499 -1.015 0 C-N-CA 118.462 -1.295 . . . . 0.0 110.424 -179.248 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -53.54 -36.93 62.35 Favored 'General case' 0 N--CA 1.439 -1.025 0 C-N-CA 117.458 -1.697 . . . . 0.0 107.718 177.433 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.866 ' O ' HG23 ' A' ' 39' ' ' THR . 97.0 mt-10 -74.63 -42.84 57.87 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 178.697 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.817 ' O ' HD23 ' A' ' 36' ' ' LEU . 3.3 tt -63.21 -45.66 90.63 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 118.599 -1.24 . . . . 0.0 111.057 -177.642 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.588 ' O ' ' O ' ' A' ' 41' ' ' LEU . 1.3 mm? -61.71 -43.54 98.66 Favored 'General case' 0 CA--C 1.515 -0.401 0 C-N-CA 118.694 -1.202 . . . . 0.0 110.997 -179.024 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -62.89 -37.65 87.77 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.16 -0.616 . . . . 0.0 111.088 178.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.866 HG23 ' O ' ' A' ' 35' ' ' GLU . 72.6 p -71.02 -34.03 70.93 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 120.648 -0.421 . . . . 0.0 112.032 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -102.51 -59.0 1.77 Allowed 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 113.048 0.758 . . . . 0.0 113.048 -179.378 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.588 ' O ' ' O ' ' A' ' 37' ' ' LEU . 31.3 mt -98.29 142.53 29.83 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.358 0.599 . . . . 0.0 111.163 -178.702 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.549 ' OG ' ' N ' ' A' ' 43' ' ' GLY . 83.0 p -110.8 -77.02 0.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.146 179.78 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.549 ' N ' ' OG ' ' A' ' 42' ' ' SER . . . -56.63 -35.73 68.4 Favored Glycine 0 CA--C 1.53 1.028 0 CA-C-N 115.691 -0.686 . . . . 0.0 113.899 -178.413 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -61.25 -59.09 5.84 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 118.144 0.972 . . . . 0.0 112.731 -177.533 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.564 ' O ' HD13 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -71.96 -39.47 69.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.544 0.688 . . . . 0.0 109.789 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.437 ' CB ' ' O ' ' A' ' 42' ' ' SER . 59.2 t0 -62.45 -27.13 68.9 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.923 179.067 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.51 ' HB2' ' O ' ' A' ' 43' ' ' GLY . . . -53.21 -26.54 18.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.203 -0.453 . . . . 0.0 112.028 -176.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 91.5 mm-40 -85.72 117.34 24.54 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 119.334 -0.946 . . . . 0.0 109.765 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -63.01 -35.81 81.47 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 113.715 1.005 . . . . 0.0 113.715 -179.085 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -69.36 142.33 54.0 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 -177.511 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.3 m -74.04 -27.72 22.63 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.123 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.67 178.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -80.7 2.79 24.5 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 115.333 -0.849 . . . . 0.0 109.325 179.511 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.544 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -56.93 -37.61 71.73 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.197 -0.91 . . . . 0.0 109.741 -179.431 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.565 HG13 ' N ' ' A' ' 55' ' ' ASP . 10.6 p -60.85 -42.86 94.13 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 C-N-CA 119.718 -0.793 . . . . 0.0 110.293 178.557 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.565 ' N ' HG13 ' A' ' 54' ' ' VAL . 87.0 m-20 -60.41 -44.31 95.86 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 120.009 -0.676 . . . . 0.0 109.189 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 69.3 mttm -63.8 -39.43 94.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.473 179.046 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 53' ' ' ALA . 67.9 t -65.41 -46.87 88.87 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.206 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 -177.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.7 ppp? -67.0 -34.22 77.28 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 113.693 0.997 . . . . 0.0 113.693 -178.6 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 36.3 mmtt -60.51 -40.45 91.49 Favored 'General case' 0 N--CA 1.465 0.275 0 C-N-CA 119.27 -0.972 . . . . 0.0 111.07 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -64.56 -40.45 95.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.211 0.529 . . . . 0.0 110.804 179.215 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 63' ' ' GLU . 79.6 mt -68.31 -34.68 76.57 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.379 -0.828 . . . . 0.0 112.399 -179.325 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.441 ' CG ' ' H ' ' A' ' 65' ' ' GLY . 44.6 t0 -69.94 72.01 0.39 Allowed 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 118.525 -1.27 . . . . 0.0 110.288 -178.228 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 61' ' ' LEU . 87.6 tt0 -63.78 -38.4 90.96 Favored 'General case' 0 CA--C 1.498 -1.034 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 176.211 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.46 ' OD1' ' CG ' ' A' ' 66' ' ' ASP . 18.8 t-20 -58.21 -39.79 79.96 Favored 'General case' 0 C--N 1.304 -1.389 0 CA-C-N 111.618 -2.537 . . . . 0.0 111.371 178.431 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.441 ' H ' ' CG ' ' A' ' 62' ' ' ASP . . . 80.8 18.6 69.87 Favored Glycine 0 CA--C 1.53 1.028 0 C-N-CA 121.452 -0.404 . . . . 0.0 112.949 178.134 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.501 ' O ' ' OE1' ' A' ' 68' ' ' GLU . 57.0 p30 -89.4 2.48 54.39 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 117.646 0.723 . . . . 0.0 112.489 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 88.71 -4.28 85.01 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.582 -1.007 . . . . 0.0 110.582 178.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.501 ' OE1' ' O ' ' A' ' 66' ' ' ASP . 53.9 mp0 -122.62 160.06 26.54 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.239 0.543 . . . . 0.0 110.868 179.594 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.414 ' HA ' ' OE1' ' A' ' 73' ' ' GLU . 74.5 t -104.14 129.68 56.02 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.632 0 N-CA-C 106.621 -1.622 . . . . 0.0 106.621 176.469 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.499 ' C ' ' OD1' ' A' ' 70' ' ' ASP . 21.6 p30 -103.44 173.32 6.36 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 120.031 -0.668 . . . . 0.0 111.155 -177.157 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -53.78 -45.66 70.74 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.156 -179.112 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -62.23 -40.81 97.37 Favored 'General case' 0 C--O 1.243 0.757 0 C-N-CA 120.248 -0.581 . . . . 0.0 111.682 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.468 ' O ' HG22 ' A' ' 76' ' ' VAL . 72.1 mt-10 -64.64 -42.01 95.75 Favored 'General case' 0 C--O 1.242 0.697 0 CA-C-O 122.329 1.062 . . . . 0.0 109.525 179.61 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.401 ' CE1' HD13 ' A' ' 36' ' ' LEU . 68.8 t80 -63.08 -41.3 99.38 Favored 'General case' 0 C--O 1.241 0.613 0 CA-C-N 114.404 -1.271 . . . . 0.0 110.169 178.537 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.611 HG13 ' HB1' ' B' ' 79' ' ' ALA . 0.5 OUTLIER -60.64 -47.59 92.3 Favored 'Isoleucine or valine' 0 C--O 1.246 0.902 0 CA-C-N 113.652 -1.613 . . . . 0.0 110.086 -178.937 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.468 HG22 ' O ' ' A' ' 73' ' ' GLU . 15.5 m -67.28 -35.21 73.25 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.512 0 C-N-CA 117.848 -1.541 . . . . 0.0 109.314 178.753 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.591 ' O ' HD13 ' A' ' 81' ' ' LEU . 28.8 tp -56.2 -51.56 67.62 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 118.965 -1.094 . . . . 0.0 111.727 178.181 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.9 m -68.9 -35.89 71.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 C-N-CA 118.487 -1.285 . . . . 0.0 111.894 -178.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.698 ' HB2' ' HB2' ' B' ' 79' ' ' ALA . . . -68.45 -48.65 63.99 Favored 'General case' 0 C--O 1.249 1.051 0 C-N-CA 119.028 -1.069 . . . . 0.0 111.889 -179.437 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.14 -40.18 96.82 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.111 -0.699 . . . . 0.0 109.111 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.591 HD13 ' O ' ' A' ' 77' ' ' LEU . 10.2 mp -65.09 -34.45 78.45 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 119.354 -0.939 . . . . 0.0 109.871 176.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 37.5 m -63.33 -50.54 69.63 Favored 'General case' 0 C--O 1.248 1.0 0 C-N-CA 119.772 -0.771 . . . . 0.0 111.382 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.8 p -63.55 -39.15 84.28 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 C-N-CA 119.13 -1.028 . . . . 0.0 110.75 178.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.484 ' O ' ' CD2' ' A' ' 88' ' ' PHE . . . -65.02 -34.78 79.24 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 120.296 -0.562 . . . . 0.0 109.85 178.703 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 42.1 t -62.35 -54.75 35.91 Favored 'General case' 0 CA--C 1.506 -0.744 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.366 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 25.8 t30 -56.38 -40.25 74.3 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 118.717 -1.193 . . . . 0.0 109.178 179.079 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -59.18 -40.61 86.19 Favored 'General case' 0 CA--C 1.527 0.079 0 C-N-CA 120.34 -0.544 . . . . 0.0 111.004 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.529 ' O ' ' O ' ' A' ' 91' ' ' GLU . 63.2 m-85 -68.19 -40.76 82.14 Favored 'General case' 0 CA--C 1.523 -0.095 0 C-N-CA 120.054 -0.658 . . . . 0.0 111.507 178.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -63.38 -53.45 52.32 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 119.729 -0.788 . . . . 0.0 111.408 -179.065 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.604 ' CZ3' ' OH ' ' B' ' 26' ' ' TYR . 28.9 t-105 -67.16 -40.24 86.61 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 121.011 0.434 . . . . 0.0 112.134 178.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.558 ' OE1' ' N ' ' A' ' 92' ' ' ASN . 2.9 tm-20 -101.96 139.5 37.52 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.564 -177.234 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.558 ' N ' ' OE1' ' A' ' 91' ' ' GLU . 22.9 t-20 -103.27 121.54 42.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.505 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.9 t . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.615 179.928 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.618 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 24.9 m -62.82 154.87 28.53 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 55.6 mp0 -61.78 -37.3 83.84 Favored 'General case' 0 C--O 1.241 0.651 0 C-N-CA 120.7 -0.4 . . . . 0.0 111.843 -179.236 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.498 HD22 HD21 ' A' ' 41' ' ' LEU . 5.7 tt -60.32 -40.07 89.3 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 -179.319 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.48 -37.5 87.74 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.013 178.251 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 44.8 m -59.06 -41.8 88.8 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.237 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.72 -45.02 88.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.503 -0.772 . . . . 0.0 110.54 179.152 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 99.3 mtp -59.82 -41.21 90.79 Favored 'General case' 0 C--O 1.248 1.022 0 CA-C-O 121.609 0.718 . . . . 0.0 109.706 179.65 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -64.87 -36.36 84.11 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.773 177.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 40.6 m -62.93 -43.51 98.59 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 119.575 -0.85 . . . . 0.0 110.314 179.056 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 42.9 mt -61.66 -42.34 98.78 Favored 'General case' 0 C--O 1.243 0.738 0 C-N-CA 119.316 -0.953 . . . . 0.0 108.866 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 99.5 mt -61.81 -46.86 95.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 C-N-CA 119.624 -0.83 . . . . 0.0 110.836 178.639 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -61.87 -40.78 96.56 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.918 0.71 . . . . 0.0 112.918 -179.269 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 13.9 m -72.9 -39.74 59.02 Favored 'Isoleucine or valine' 0 C--O 1.247 0.921 0 C-N-CA 118.746 -1.182 . . . . 0.0 111.007 -179.49 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -60.99 -48.14 83.21 Favored 'General case' 0 C--N 1.343 0.288 0 C-N-CA 118.506 -1.277 . . . . 0.0 110.204 177.558 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -62.97 -36.25 82.87 Favored 'General case' 0 CA--C 1.505 -0.782 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.066 178.062 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.594 ' O ' ' HB2' ' B' ' 21' ' ' LYS . . . -55.2 -50.69 68.73 Favored 'General case' 0 CA--C 1.494 -1.194 0 C-N-CA 118.822 -1.151 . . . . 0.0 108.666 -179.354 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 1.043 ' ND1' HD11 ' B' ' 28' ' ' LEU . 14.0 t-80 -76.64 -55.52 5.43 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 116.166 1.913 . . . . 0.0 116.166 -177.743 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.427 ' OG ' ' O ' ' B' ' 25' ' ' LYS . 23.1 t -58.96 -41.22 86.97 Favored 'General case' 0 CA--C 1.512 -0.511 0 C-N-CA 118.91 -1.116 . . . . 0.0 107.999 -179.152 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.54 -43.44 94.61 Favored Glycine 0 C--N 1.347 1.187 0 O-C-N 124.814 1.321 . . . . 0.0 111.189 178.005 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.594 ' HB2' ' O ' ' B' ' 17' ' ' ALA . 5.4 ttpm? -60.05 -44.14 94.9 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 -178.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -131.88 141.87 49.51 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 -177.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 63.79 -131.49 40.26 Favored Glycine 0 CA--C 1.524 0.641 0 CA-C-N 115.148 -0.933 . . . . 0.0 112.948 177.657 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -79.27 125.11 29.06 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.043 -0.578 . . . . 0.0 110.272 -179.627 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.427 ' O ' ' OG ' ' B' ' 19' ' ' SER . 35.3 mtmt -58.56 -32.32 68.8 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.307 -0.86 . . . . 0.0 112.922 -177.589 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.604 ' OH ' ' CZ3' ' A' ' 90' ' ' TRP . 97.3 m-85 -107.96 19.7 19.69 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 -178.117 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.424 ' NZ ' ' OD2' ' B' ' 66' ' ' ASP . 34.9 tptt -143.21 145.66 32.97 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 119.064 -1.054 . . . . 0.0 109.444 179.176 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 1.043 HD11 ' ND1' ' B' ' 18' ' ' HIS . 5.7 tp -112.32 128.9 56.41 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 119.967 -0.693 . . . . 0.0 110.036 -177.598 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 23.5 t -103.69 156.93 17.42 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 5.3 ttpm? -53.77 -47.19 70.98 Favored 'General case' 0 C--O 1.245 0.848 0 CA-C-O 121.392 0.615 . . . . 0.0 111.912 -177.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.598 ' CG ' ' N ' ' B' ' 32' ' ' GLU . 54.8 pttt -59.42 -47.55 85.04 Favored 'General case' 0 N--CA 1.441 -0.912 0 C-N-CA 119.893 -0.723 . . . . 0.0 109.434 -178.75 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.672 ' O ' ' NE2' ' B' ' 18' ' ' HIS . 94.8 mt-10 -62.66 -48.8 77.74 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 115.042 -0.981 . . . . 0.0 112.166 -178.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.8 pp -62.23 -33.48 74.67 Favored 'General case' 0 CA--C 1.499 -1.006 0 C-N-CA 118.513 -1.275 . . . . 0.0 110.386 -179.183 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.455 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 1.1 tptp -53.52 -37.0 62.38 Favored 'General case' 0 N--CA 1.439 -0.995 0 C-N-CA 117.466 -1.694 . . . . 0.0 107.636 177.524 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.878 ' O ' HG23 ' B' ' 39' ' ' THR . 97.1 mt-10 -74.66 -42.85 57.74 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 178.71 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.813 ' O ' HD23 ' B' ' 36' ' ' LEU . 3.8 tt -62.99 -45.84 90.5 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 118.681 -1.207 . . . . 0.0 110.889 -177.549 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.586 ' O ' ' O ' ' B' ' 41' ' ' LEU . 1.3 mm? -61.74 -43.61 98.53 Favored 'General case' 0 CA--C 1.514 -0.42 0 C-N-CA 118.787 -1.165 . . . . 0.0 111.073 -178.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.455 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 25.7 mt-30 -62.83 -37.7 87.84 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.118 -0.633 . . . . 0.0 111.031 178.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.878 HG23 ' O ' ' B' ' 35' ' ' GLU . 72.9 p -70.89 -34.04 71.17 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 120.648 -0.421 . . . . 0.0 112.038 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -102.59 -58.98 1.78 Allowed 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 113.032 0.752 . . . . 0.0 113.032 -179.333 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.586 ' O ' ' O ' ' B' ' 37' ' ' LEU . 31.4 mt -98.24 142.59 29.71 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.321 0.581 . . . . 0.0 111.133 -178.73 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.547 ' OG ' ' N ' ' B' ' 43' ' ' GLY . 82.9 p -110.89 -76.98 0.59 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.199 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 43' ' ' GLY . . . . . 0.547 ' N ' ' OG ' ' B' ' 42' ' ' SER . . . -56.74 -35.61 68.4 Favored Glycine 0 CA--C 1.529 0.958 0 CA-C-N 115.683 -0.69 . . . . 0.0 113.923 -178.402 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -61.28 -59.09 5.83 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 118.144 0.972 . . . . 0.0 112.649 -177.464 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.55 HD13 ' O ' ' B' ' 45' ' ' LEU . 0.2 OUTLIER -72.02 -39.49 69.14 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 121.5 0.667 . . . . 0.0 109.706 -179.898 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.448 ' CB ' ' O ' ' B' ' 42' ' ' SER . 59.1 t0 -62.4 -27.14 68.88 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 114.885 -1.052 . . . . 0.0 111.945 179.078 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 47' ' ' ALA . . . . . 0.51 ' HB2' ' O ' ' B' ' 43' ' ' GLY . . . -53.21 -26.59 18.13 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.164 -0.471 . . . . 0.0 112.024 -176.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -85.7 117.4 24.56 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 119.296 -0.962 . . . . 0.0 109.717 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -62.96 -35.88 81.62 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 -179.259 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -69.36 142.33 53.99 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -177.414 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 4.4 m -74.13 -27.63 22.28 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.136 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.625 178.677 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -80.71 2.78 24.58 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.354 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.542 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -56.89 -37.51 71.48 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 115.142 -0.935 . . . . 0.0 109.848 -179.525 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.566 HG13 ' N ' ' B' ' 55' ' ' ASP . 10.5 p -60.91 -42.88 94.41 Favored 'Isoleucine or valine' 0 C--O 1.242 0.664 0 C-N-CA 119.799 -0.761 . . . . 0.0 110.31 178.485 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.566 ' N ' HG13 ' B' ' 54' ' ' VAL . 86.8 m-20 -60.44 -44.3 95.95 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 120.009 -0.676 . . . . 0.0 109.218 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 69.3 mttm -63.77 -39.45 94.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.487 179.045 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.542 HG23 ' O ' ' B' ' 53' ' ' ALA . 67.6 t -65.34 -47.05 88.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 -177.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 1.6 ppp? -66.98 -34.17 77.16 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 -178.535 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 36.3 mmtt -60.63 -40.41 91.86 Favored 'General case' 0 N--CA 1.463 0.184 0 C-N-CA 119.281 -0.968 . . . . 0.0 111.095 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -64.59 -40.41 95.48 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.728 179.196 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' B' ' 63' ' ' GLU . 79.6 mt -68.29 -34.7 76.63 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.476 -0.784 . . . . 0.0 112.41 -179.325 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.439 ' CG ' ' H ' ' B' ' 65' ' ' GLY . 44.5 t0 -69.99 72.05 0.4 Allowed 'General case' 0 N--CA 1.446 -0.647 0 C-N-CA 118.51 -1.276 . . . . 0.0 110.327 -178.254 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' B' ' 61' ' ' LEU . 87.6 tt0 -63.7 -38.47 91.25 Favored 'General case' 0 CA--C 1.498 -1.038 0 CA-C-O 123.104 1.431 . . . . 0.0 107.155 176.18 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.464 ' OD1' ' CG ' ' B' ' 66' ' ' ASP . 18.8 t-20 -58.21 -39.74 79.8 Favored 'General case' 0 N--CA 1.43 -1.426 0 CA-C-N 111.605 -2.543 . . . . 0.0 111.41 178.465 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.439 ' H ' ' CG ' ' B' ' 62' ' ' ASP . . . 80.8 18.49 70.14 Favored Glycine 0 CA--C 1.531 1.056 0 C-N-CA 121.362 -0.446 . . . . 0.0 112.964 178.088 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.5 ' O ' ' OE1' ' B' ' 68' ' ' GLU . 57.3 p30 -89.28 2.46 54.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 117.652 0.726 . . . . 0.0 112.503 -179.704 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 88.72 -4.35 85.0 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.558 -1.017 . . . . 0.0 110.558 178.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.5 ' OE1' ' O ' ' B' ' 66' ' ' ASP . 53.9 mp0 -122.51 160.07 26.38 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-O 121.212 0.529 . . . . 0.0 110.945 179.554 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.407 ' HA ' ' OE1' ' B' ' 73' ' ' GLU . 73.8 t -104.07 129.85 55.64 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.591 0 N-CA-C 106.702 -1.592 . . . . 0.0 106.702 176.368 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.487 ' OD1' ' C ' ' B' ' 70' ' ' ASP . 21.1 p30 -103.76 173.14 6.43 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 120.083 -0.647 . . . . 0.0 111.274 -177.213 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -53.64 -45.59 70.24 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.205 -179.022 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -62.41 -40.72 97.43 Favored 'General case' 0 C--O 1.243 0.732 0 C-N-CA 120.164 -0.614 . . . . 0.0 111.639 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.457 ' O ' HG22 ' B' ' 76' ' ' VAL . 72.3 mt-10 -64.67 -41.96 95.72 Favored 'General case' 0 C--O 1.241 0.646 0 CA-C-O 122.322 1.058 . . . . 0.0 109.551 179.573 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 68.8 t80 -63.16 -41.21 99.21 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-N 114.375 -1.284 . . . . 0.0 110.145 178.534 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.603 HG13 ' HB1' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -60.77 -47.53 92.78 Favored 'Isoleucine or valine' 0 C--O 1.246 0.881 0 CA-C-N 113.666 -1.606 . . . . 0.0 110.126 -178.938 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.457 HG22 ' O ' ' B' ' 73' ' ' GLU . 15.5 m -67.34 -35.24 73.16 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 C-N-CA 117.886 -1.526 . . . . 0.0 109.244 178.708 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.593 ' O ' HD13 ' B' ' 81' ' ' LEU . 28.3 tp -56.16 -51.52 67.7 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 118.919 -1.112 . . . . 0.0 111.772 178.197 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.404 ' O ' ' OG1' ' B' ' 82' ' ' THR . 33.9 m -68.93 -35.79 70.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 C-N-CA 118.396 -1.322 . . . . 0.0 111.905 -178.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.698 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . . . -68.55 -48.58 63.92 Favored 'General case' 0 C--O 1.249 1.035 0 C-N-CA 119.015 -1.074 . . . . 0.0 111.872 -179.422 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.18 -40.09 96.53 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.593 HD13 ' O ' ' B' ' 77' ' ' LEU . 10.1 mp -65.01 -34.6 78.82 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 119.358 -0.937 . . . . 0.0 109.861 176.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.404 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 38.5 m -63.3 -50.48 69.93 Favored 'General case' 0 C--O 1.248 0.998 0 C-N-CA 119.752 -0.779 . . . . 0.0 111.342 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 13.9 p -63.58 -39.2 84.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 119.138 -1.025 . . . . 0.0 110.74 178.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.484 ' O ' ' CD2' ' B' ' 88' ' ' PHE . . . -65.03 -34.73 79.13 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 120.282 -0.567 . . . . 0.0 109.793 178.71 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 42.1 t -62.37 -54.64 37.43 Favored 'General case' 0 CA--C 1.505 -0.776 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.432 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 25.7 t30 -56.48 -40.27 74.63 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 118.733 -1.187 . . . . 0.0 109.135 179.053 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -59.23 -40.55 86.23 Favored 'General case' 0 C--O 1.231 0.098 0 C-N-CA 120.283 -0.567 . . . . 0.0 111.033 179.656 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.54 ' O ' ' O ' ' B' ' 91' ' ' GLU . 63.3 m-85 -68.13 -40.81 82.37 Favored 'General case' 0 CA--C 1.523 -0.093 0 C-N-CA 120.106 -0.638 . . . . 0.0 111.478 178.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -63.42 -53.38 53.28 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 119.71 -0.796 . . . . 0.0 111.381 -178.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.607 ' CH2' ' OH ' ' A' ' 26' ' ' TYR . 28.7 t-105 -67.19 -40.27 86.51 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-O 120.987 0.422 . . . . 0.0 112.122 178.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.549 ' OE1' ' N ' ' B' ' 92' ' ' ASN . 2.9 tm-20 -101.87 139.4 37.56 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.622 -177.256 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 92' ' ' ASN . . . . . 0.549 ' N ' ' OE1' ' B' ' 91' ' ' GLU . 22.7 t-20 -103.18 121.53 42.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.539 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 2.9 t . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 118.065 -0.969 . . . . 0.0 110.585 179.99 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 201' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 201' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.557 ' O ' ' OE1' ' B' ' 40' ' ' GLU . . . . . . . . 0 CA--C 1.525 0.658 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.4 p -68.28 -15.38 63.55 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.668 -0.266 . . . . 0.0 111.075 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -59.85 -40.85 89.95 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 -176.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.588 ' O ' HD23 ' A' ' 4' ' ' LEU . 5.6 tt -65.76 -42.04 91.36 Favored 'General case' 0 C--O 1.242 0.681 0 C-N-CA 118.127 -1.429 . . . . 0.0 108.061 179.753 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.443 ' OE1' ' C ' ' A' ' 5' ' ' GLU . 6.1 tm-20 -63.9 -40.05 95.59 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 114.342 -1.299 . . . . 0.0 109.277 179.52 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 43.4 m -60.23 -40.36 89.92 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.463 178.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.73 -44.76 92.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.081 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 98.4 mtp -59.52 -41.19 89.4 Favored 'General case' 0 C--O 1.248 1.019 0 CA-C-O 121.736 0.779 . . . . 0.0 109.453 179.141 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -64.75 -35.68 81.85 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.139 178.018 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 54.3 m -64.42 -43.07 95.54 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 119.744 -0.782 . . . . 0.0 110.257 179.475 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 36.8 mt -62.07 -42.29 99.05 Favored 'General case' 0 C--O 1.242 0.699 0 C-N-CA 119.053 -1.059 . . . . 0.0 108.734 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.481 HG23 ' ND2' ' B' ' 86' ' ' ASN . 98.0 mt -61.72 -45.69 98.14 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 C-N-CA 119.682 -0.807 . . . . 0.0 111.216 178.51 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -62.02 -41.4 98.03 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 -178.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.8 m -73.36 -41.24 57.26 Favored 'Isoleucine or valine' 0 C--O 1.256 1.414 0 C-N-CA 119.267 -0.973 . . . . 0.0 111.185 -179.336 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -60.39 -47.57 85.49 Favored 'General case' 0 CA--C 1.512 -0.488 0 C-N-CA 119.107 -1.037 . . . . 0.0 109.84 177.189 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -62.7 -35.47 79.8 Favored 'General case' 0 CA--C 1.5 -0.953 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.615 178.124 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.552 ' O ' ' HB2' ' A' ' 21' ' ' LYS . . . -57.4 -51.36 69.73 Favored 'General case' 0 N--CA 1.435 -1.223 0 C-N-CA 118.753 -1.179 . . . . 0.0 109.599 -179.128 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.486 ' HB2' HD12 ' A' ' 36' ' ' LEU . 33.8 m80 -78.39 -54.04 6.62 Favored 'General case' 0 C--O 1.245 0.861 0 N-CA-C 114.895 1.443 . . . . 0.0 114.895 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.506 ' OG ' ' O ' ' A' ' 25' ' ' LYS . 23.1 t -57.86 -41.91 83.4 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 118.393 -1.323 . . . . 0.0 108.739 -178.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.15 -43.87 92.31 Favored Glycine 0 C--N 1.342 0.914 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.722 178.246 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.552 ' HB2' ' O ' ' A' ' 17' ' ' ALA . 7.4 ttpm? -59.77 -42.66 93.79 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 113.302 0.853 . . . . 0.0 113.302 -179.004 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -129.72 142.76 50.65 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 -177.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.49 -130.1 49.74 Favored Glycine 0 CA--C 1.523 0.564 0 CA-C-N 115.209 -0.905 . . . . 0.0 113.406 177.066 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -79.27 124.99 28.9 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 114.868 -0.666 . . . . 0.0 110.119 -179.552 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.506 ' O ' ' OG ' ' A' ' 19' ' ' SER . 34.4 mtmt -58.36 -31.27 67.45 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.212 -0.904 . . . . 0.0 112.842 -177.563 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.621 ' OH ' ' CD2' ' B' ' 90' ' ' TRP . 93.2 m-85 -105.93 18.31 22.3 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 -177.496 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.3 tptt -140.45 139.44 35.2 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 119.662 -0.815 . . . . 0.0 109.236 178.124 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.9 tp -108.67 128.37 54.8 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.371 -177.507 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 95.1 p -103.35 165.55 10.96 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.016 -179.446 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -53.2 -46.83 69.18 Favored 'General case' 0 C--O 1.24 0.568 0 CA-C-O 120.936 0.398 . . . . 0.0 111.936 -178.045 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.434 ' HG3' ' N ' ' A' ' 32' ' ' GLU . 14.8 ptpt -60.69 -39.56 88.91 Favored 'General case' 0 N--CA 1.439 -1.011 0 C-N-CA 119.576 -0.849 . . . . 0.0 109.7 -178.729 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.434 ' N ' ' HG3' ' A' ' 31' ' ' LYS . 96.9 mt-10 -68.2 -52.46 34.02 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 119.679 -0.808 . . . . 0.0 112.275 -179.493 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.402 HD22 HG21 ' A' ' 69' ' ' VAL . 0.2 OUTLIER -58.78 -36.34 74.25 Favored 'General case' 0 CA--C 1.503 -0.843 0 C-N-CA 118.316 -1.353 . . . . 0.0 110.074 -179.517 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.43 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 0.3 OUTLIER -55.76 -37.69 68.85 Favored 'General case' 0 N--CA 1.435 -1.216 0 C-N-CA 117.87 -1.532 . . . . 0.0 108.425 179.725 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.851 ' O ' HG23 ' A' ' 39' ' ' THR . 97.3 mt-10 -76.2 -41.17 50.36 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 178.763 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.74 ' O ' HD23 ' A' ' 36' ' ' LEU . 3.4 tt -66.88 -46.3 75.39 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 120.256 -0.578 . . . . 0.0 112.129 -176.544 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.563 ' N ' ' CD2' ' A' ' 37' ' ' LEU . 1.2 mm? -64.79 -43.11 94.27 Favored 'General case' 0 CA--C 1.518 -0.252 0 C-N-CA 118.798 -1.161 . . . . 0.0 110.867 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.43 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 25.8 mt-30 -64.42 -40.04 94.99 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.6 -0.44 . . . . 0.0 112.132 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.851 HG23 ' O ' ' A' ' 35' ' ' GLU . 62.5 p -72.39 -38.21 68.52 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 120.292 -0.563 . . . . 0.0 112.292 -179.231 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.558 ' OE1' ' O ' ' B' ' 1' ' ' GLY . 78.2 mm-40 -92.65 -55.28 3.44 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 113.042 0.756 . . . . 0.0 113.042 -179.362 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.555 ' O ' ' O ' ' A' ' 37' ' ' LEU . 53.6 mt -101.47 142.85 32.23 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.255 0.55 . . . . 0.0 111.433 -179.011 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.4 t -112.91 -62.1 1.64 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.531 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.63 -38.84 92.44 Favored Glycine 0 CA--C 1.533 1.163 0 CA-C-N 116.079 -0.51 . . . . 0.0 114.346 -178.006 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -61.8 -53.29 57.95 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 118.117 0.959 . . . . 0.0 112.694 -177.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -73.08 -37.59 66.73 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 120.32 -0.552 . . . . 0.0 111.533 178.582 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 58.3 t0 -59.26 -30.34 68.21 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.962 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.8 -32.08 63.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.785 -177.656 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -96.78 116.93 29.98 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 119.32 -0.952 . . . . 0.0 109.268 179.32 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -63.79 -37.47 87.47 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 114.244 1.201 . . . . 0.0 114.244 -178.654 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -72.43 142.59 48.65 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -177.266 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.467 ' O ' HG12 ' A' ' 54' ' ' VAL . 4.9 m -72.26 -28.27 28.64 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 177.46 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -60.74 -24.41 65.7 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 114.298 -1.319 . . . . 0.0 108.912 178.065 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.424 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -51.85 -35.47 44.82 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.672 -1.149 . . . . 0.0 110.764 -178.13 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.614 HG13 ' N ' ' A' ' 55' ' ' ASP . 7.3 p -58.85 -44.84 91.46 Favored 'Isoleucine or valine' 0 C--O 1.236 0.393 0 C-N-CA 119.259 -0.977 . . . . 0.0 109.567 178.681 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.614 ' N ' HG13 ' A' ' 54' ' ' VAL . 92.4 m-20 -62.98 -42.07 99.73 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.923 178.614 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -59.67 -39.48 84.61 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.019 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 53' ' ' ALA . 72.0 t -65.35 -44.92 94.59 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 C-N-CA 120.412 -0.515 . . . . 0.0 110.397 179.202 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -71.14 -33.05 69.7 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 114.473 1.286 . . . . 0.0 114.473 -178.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.3 mtmm -58.21 -40.91 82.83 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 119.704 -0.798 . . . . 0.0 113.006 -177.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -71.25 -34.74 71.01 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 119.667 -0.813 . . . . 0.0 110.186 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.449 ' O ' ' CD ' ' A' ' 73' ' ' GLU . 88.1 mt -67.49 -34.71 77.7 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-N 115.508 -0.769 . . . . 0.0 112.291 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -72.08 84.65 1.0 Allowed 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 118.561 -1.255 . . . . 0.0 111.279 -177.566 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -63.51 -47.41 81.78 Favored 'General case' 0 CA--C 1.505 -0.766 0 CA-C-O 122.52 1.152 . . . . 0.0 110.738 176.69 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 31.9 m120 -59.33 -35.48 73.92 Favored 'General case' 0 C--N 1.3 -1.559 0 CA-C-N 112.656 -2.065 . . . . 0.0 111.336 -179.313 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.78 17.32 70.66 Favored Glycine 0 CA--C 1.521 0.408 0 N-CA-C 108.429 -1.869 . . . . 0.0 108.429 -177.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.525 ' O ' ' OE1' ' A' ' 68' ' ' GLU . 24.5 p-10 -86.49 0.97 53.12 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 -178.414 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 82.62 2.45 90.63 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 178.457 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.525 ' OE1' ' O ' ' A' ' 66' ' ' ASP . 53.0 mp0 -120.0 156.69 30.38 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-O 121.513 0.673 . . . . 0.0 112.083 179.719 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.402 HG21 HD22 ' A' ' 33' ' ' LEU . 45.5 t -106.63 131.51 56.25 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.497 0 N-CA-C 107.216 -1.402 . . . . 0.0 107.216 176.783 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.546 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 51.3 t0 -101.28 160.82 14.09 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.088 0.47 . . . . 0.0 111.325 -178.169 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.546 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 1.0 OUTLIER -50.3 -44.48 54.07 Favored 'General case' 0 C--O 1.218 -0.594 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.451 -178.393 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -62.22 -40.62 96.74 Favored 'General case' 0 C--O 1.245 0.861 0 C-N-CA 119.898 -0.721 . . . . 0.0 111.011 178.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.473 ' O ' HG22 ' A' ' 76' ' ' VAL . 86.5 mt-10 -64.4 -42.21 96.21 Favored 'General case' 0 C--O 1.241 0.643 0 CA-C-O 122.375 1.084 . . . . 0.0 109.531 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -63.32 -41.36 98.91 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-N 114.352 -1.295 . . . . 0.0 110.222 178.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.629 HG13 ' HB1' ' B' ' 79' ' ' ALA . 0.5 OUTLIER -60.28 -48.08 89.66 Favored 'Isoleucine or valine' 0 C--O 1.248 0.977 0 CA-C-N 113.684 -1.598 . . . . 0.0 109.816 -178.841 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.473 HG22 ' O ' ' A' ' 73' ' ' GLU . 15.8 m -67.33 -34.49 69.25 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.557 0 C-N-CA 117.911 -1.515 . . . . 0.0 109.366 178.59 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.716 ' O ' HD13 ' A' ' 81' ' ' LEU . 24.8 tp -57.29 -50.78 71.84 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 118.903 -1.119 . . . . 0.0 111.651 178.73 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.401 ' O ' ' OG1' ' A' ' 82' ' ' THR . 33.5 m -69.43 -35.85 68.89 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.286 0 C-N-CA 118.718 -1.193 . . . . 0.0 111.678 -179.122 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.734 ' HB2' ' HB2' ' B' ' 79' ' ' ALA . . . -68.57 -48.97 62.86 Favored 'General case' 0 C--O 1.25 1.084 0 C-N-CA 118.987 -1.085 . . . . 0.0 111.765 -179.395 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.09 -39.36 94.49 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.037 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.716 HD13 ' O ' ' A' ' 77' ' ' LEU . 10.1 mp -65.7 -34.33 77.95 Favored 'General case' 0 C--O 1.219 -0.533 0 C-N-CA 119.299 -0.96 . . . . 0.0 109.84 176.802 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 38.2 m -63.36 -50.21 70.85 Favored 'General case' 0 C--O 1.248 0.976 0 C-N-CA 119.723 -0.791 . . . . 0.0 111.399 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.478 ' O ' ' OD1' ' A' ' 87' ' ' ASN . 12.9 p -63.88 -39.22 84.62 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 119.127 -1.029 . . . . 0.0 110.64 178.787 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.78 -30.12 70.71 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-O 121.092 0.472 . . . . 0.0 109.904 178.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.523 ' C ' ' SD ' ' A' ' 201' ' ' HCS . 34.1 t -68.36 -55.29 12.54 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 115.514 -0.767 . . . . 0.0 109.748 -179.65 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.425 HD21 ' C ' ' A' ' 86' ' ' ASN . 0.4 OUTLIER -56.66 -40.23 75.12 Favored 'General case' 0 C--O 1.24 0.586 0 C-N-CA 118.262 -1.375 . . . . 0.0 108.496 178.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.691 ' O ' ' HB2' ' A' ' 91' ' ' GLU . 23.9 m120 -58.86 -40.37 84.11 Favored 'General case' 0 C--O 1.2 -1.509 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 177.614 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.56 ' O ' ' O ' ' A' ' 91' ' ' GLU . 68.4 t80 -63.56 -40.58 97.36 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 118.31 -1.356 . . . . 0.0 110.502 178.742 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -64.23 -60.76 2.81 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 120.026 -0.67 . . . . 0.0 112.294 -178.364 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.62 ' CD2' ' OH ' ' B' ' 26' ' ' TYR . 20.3 t-105 -69.03 -43.98 73.63 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 119.748 -0.781 . . . . 0.0 111.449 179.058 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.691 ' HB2' ' O ' ' A' ' 87' ' ' ASN . 93.8 mt-10 -97.97 144.62 27.31 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.306 -1.315 . . . . 0.0 111.663 -179.648 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 93' ' ' SER . 48.4 t30 57.09 45.13 21.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.476 179.472 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 92' ' ' ASN . 18.8 p . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 117.974 -1.013 . . . . 0.0 110.514 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 1' ' ' GLY . . . . . 0.558 ' O ' ' OE1' ' A' ' 40' ' ' GLU . . . . . . . . 0 CA--C 1.524 0.624 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 83.4 p -68.2 -15.36 63.55 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.652 -0.274 . . . . 0.0 111.108 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -59.93 -40.88 90.38 Favored 'General case' 0 C--O 1.233 0.228 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 -176.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.578 ' O ' HD23 ' B' ' 4' ' ' LEU . 5.6 tt -65.65 -42.13 91.75 Favored 'General case' 0 C--O 1.241 0.629 0 C-N-CA 118.166 -1.413 . . . . 0.0 108.046 179.755 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.448 ' C ' ' OE1' ' B' ' 5' ' ' GLU . 6.1 tm-20 -63.93 -39.99 95.42 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 114.274 -1.33 . . . . 0.0 109.231 179.616 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 44.2 m -60.3 -40.24 89.82 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.439 178.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.81 -44.75 92.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.059 179.483 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 98.3 mtp -59.6 -41.16 89.69 Favored 'General case' 0 C--O 1.248 1.016 0 CA-C-O 121.76 0.79 . . . . 0.0 109.529 179.114 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -64.62 -36.52 84.53 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.004 178.05 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 50.7 m -63.48 -43.44 97.28 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 119.852 -0.739 . . . . 0.0 110.387 179.35 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 41.3 mt -61.98 -42.29 98.98 Favored 'General case' 0 C--O 1.242 0.667 0 C-N-CA 119.163 -1.015 . . . . 0.0 108.727 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 98.0 mt -61.54 -45.8 97.89 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 C-N-CA 119.681 -0.808 . . . . 0.0 111.284 178.467 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -62.01 -41.37 98.0 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.956 0.724 . . . . 0.0 112.956 -178.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 15.0 m -73.41 -41.22 56.92 Favored 'Isoleucine or valine' 0 C--O 1.256 1.396 0 C-N-CA 119.261 -0.975 . . . . 0.0 111.143 -179.285 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -60.4 -47.58 85.49 Favored 'General case' 0 CA--C 1.513 -0.48 0 C-N-CA 119.074 -1.05 . . . . 0.0 109.856 177.139 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -62.74 -35.35 79.48 Favored 'General case' 0 CA--C 1.501 -0.934 0 CA-C-N 115.219 -0.9 . . . . 0.0 109.582 178.157 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.555 ' O ' ' HB2' ' B' ' 21' ' ' LYS . . . -57.48 -51.32 69.91 Favored 'General case' 0 N--CA 1.436 -1.133 0 C-N-CA 118.72 -1.192 . . . . 0.0 109.562 -179.148 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.498 ' HB2' HD12 ' B' ' 36' ' ' LEU . 33.7 m80 -78.32 -54.12 6.55 Favored 'General case' 0 C--O 1.245 0.833 0 N-CA-C 114.881 1.437 . . . . 0.0 114.881 -179.677 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.493 ' OG ' ' O ' ' B' ' 25' ' ' LYS . 23.1 t -57.82 -42.01 83.43 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 118.389 -1.324 . . . . 0.0 108.739 -178.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.14 -43.88 92.31 Favored Glycine 0 C--N 1.343 0.968 0 CA-C-N 115.185 -0.916 . . . . 0.0 111.666 178.371 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.555 ' HB2' ' O ' ' B' ' 17' ' ' ALA . 7.4 ttpm? -59.68 -42.77 93.65 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 -179.002 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -129.68 142.82 50.65 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 113.981 1.104 . . . . 0.0 113.981 -177.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.48 -130.19 49.9 Favored Glycine 0 CA--C 1.523 0.567 0 CA-C-N 115.222 -0.899 . . . . 0.0 113.364 177.036 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -79.18 124.99 28.86 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 114.894 -0.653 . . . . 0.0 110.082 -179.537 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.493 ' O ' ' OG ' ' B' ' 19' ' ' SER . 34.5 mtmt -58.34 -31.25 67.4 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.139 -0.937 . . . . 0.0 112.863 -177.636 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.62 ' OH ' ' CD2' ' A' ' 90' ' ' TRP . 93.2 m-85 -105.87 18.28 22.36 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 -177.525 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 35.7 tptt -140.39 139.55 35.34 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 119.599 -0.84 . . . . 0.0 109.343 178.131 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 18.0 tp -108.84 128.36 54.83 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.289 -177.526 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 94.3 p -103.33 165.63 10.91 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.935 -179.476 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -53.2 -46.87 69.21 Favored 'General case' 0 C--O 1.241 0.612 0 CA-C-O 120.903 0.382 . . . . 0.0 111.928 -178.038 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.438 ' HG3' ' N ' ' B' ' 32' ' ' GLU . 14.8 ptpt -60.65 -39.65 89.1 Favored 'General case' 0 N--CA 1.439 -1.001 0 C-N-CA 119.605 -0.838 . . . . 0.0 109.692 -178.725 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.438 ' N ' ' HG3' ' B' ' 31' ' ' LYS . 96.9 mt-10 -68.05 -52.58 33.76 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 119.81 -0.756 . . . . 0.0 112.282 -179.548 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.4 HD22 HG21 ' B' ' 69' ' ' VAL . 0.2 OUTLIER -58.74 -36.36 74.2 Favored 'General case' 0 CA--C 1.504 -0.818 0 C-N-CA 118.312 -1.355 . . . . 0.0 110.08 -179.5 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.425 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 0.3 OUTLIER -55.81 -37.63 68.9 Favored 'General case' 0 N--CA 1.434 -1.23 0 C-N-CA 117.787 -1.565 . . . . 0.0 108.42 179.77 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.853 ' O ' HG23 ' B' ' 39' ' ' THR . 97.3 mt-10 -76.16 -41.25 50.42 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 113.0 0.741 . . . . 0.0 113.0 178.809 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.734 ' O ' HD23 ' B' ' 36' ' ' LEU . 3.5 tt -66.86 -46.29 75.48 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 120.238 -0.585 . . . . 0.0 112.075 -176.493 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.571 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 1.2 mm? -64.91 -42.98 94.26 Favored 'General case' 0 CA--C 1.52 -0.194 0 C-N-CA 118.761 -1.176 . . . . 0.0 110.878 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.425 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 25.8 mt-30 -64.55 -40.0 94.79 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.485 -0.486 . . . . 0.0 112.114 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.853 HG23 ' O ' ' B' ' 35' ' ' GLU . 63.4 p -72.3 -38.23 68.79 Favored 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 120.364 -0.534 . . . . 0.0 112.33 -179.325 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.557 ' OE1' ' O ' ' A' ' 1' ' ' GLY . 78.2 mm-40 -92.66 -55.29 3.43 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 113.041 0.756 . . . . 0.0 113.041 -179.302 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.556 ' O ' ' O ' ' B' ' 37' ' ' LEU . 54.4 mt -101.5 142.94 32.12 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.225 0.536 . . . . 0.0 111.383 -179.023 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 7.4 t -112.95 -62.12 1.63 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.55 179.596 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.59 -38.93 92.55 Favored Glycine 0 CA--C 1.532 1.151 0 CA-C-N 115.939 -0.573 . . . . 0.0 114.358 -178.075 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -61.75 -53.35 57.25 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 118.11 0.955 . . . . 0.0 112.689 -177.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -73.07 -37.52 66.77 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 120.346 -0.541 . . . . 0.0 111.5 178.594 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 58.3 t0 -59.36 -30.26 68.28 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.999 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.81 -32.1 63.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.796 -177.698 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 82.6 mm-40 -96.75 116.9 29.92 Favored 'General case' 0 C--O 1.232 0.142 0 C-N-CA 119.404 -0.919 . . . . 0.0 109.343 179.238 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -63.77 -37.57 87.85 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 114.192 1.182 . . . . 0.0 114.192 -178.618 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -72.24 142.55 48.97 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 113.237 0.828 . . . . 0.0 113.237 -177.308 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' VAL . . . . . 0.459 ' O ' HG12 ' B' ' 54' ' ' VAL . 4.8 m -72.26 -28.28 28.64 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.13 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 177.421 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -60.69 -24.45 65.64 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 114.232 -1.349 . . . . 0.0 108.933 178.001 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.434 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -51.93 -35.38 45.53 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 114.704 -1.134 . . . . 0.0 110.775 -178.078 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.617 HG13 ' N ' ' B' ' 55' ' ' ASP . 7.4 p -58.88 -44.79 91.5 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 C-N-CA 119.284 -0.966 . . . . 0.0 109.583 178.632 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.617 ' N ' HG13 ' B' ' 54' ' ' VAL . 92.4 m-20 -63.11 -41.93 99.47 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.911 178.655 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -59.84 -39.42 85.08 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.995 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.434 HG23 ' O ' ' B' ' 53' ' ' ALA . 72.3 t -65.45 -44.78 94.23 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 C-N-CA 120.385 -0.526 . . . . 0.0 110.4 179.188 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -71.1 -33.15 69.9 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 114.561 1.319 . . . . 0.0 114.561 -179.116 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 12.4 mtmm -58.16 -40.92 82.63 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 119.631 -0.828 . . . . 0.0 113.041 -177.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -71.22 -34.75 71.11 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 119.67 -0.812 . . . . 0.0 110.178 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.455 ' O ' ' CD ' ' B' ' 73' ' ' GLU . 88.1 mt -67.5 -34.7 77.67 Favored 'General case' 0 CA--C 1.511 -0.552 0 CA-C-N 115.509 -0.769 . . . . 0.0 112.291 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -72.14 84.65 1.02 Allowed 'General case' 0 N--CA 1.445 -0.718 0 C-N-CA 118.537 -1.265 . . . . 0.0 111.301 -177.531 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -63.49 -47.42 81.81 Favored 'General case' 0 CA--C 1.506 -0.744 0 CA-C-O 122.517 1.151 . . . . 0.0 110.727 176.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 31.9 m120 -59.29 -35.58 74.01 Favored 'General case' 0 C--N 1.3 -1.552 0 CA-C-N 112.692 -2.049 . . . . 0.0 111.281 -179.343 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.82 17.33 70.54 Favored Glycine 0 CA--C 1.521 0.442 0 N-CA-C 108.487 -1.845 . . . . 0.0 108.487 -177.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.522 ' O ' ' OE1' ' B' ' 68' ' ' GLU . 24.4 p-10 -86.54 1.04 53.03 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 112.794 0.664 . . . . 0.0 112.794 -178.367 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 82.64 2.38 90.63 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 178.45 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.522 ' OE1' ' O ' ' B' ' 66' ' ' ASP . 52.8 mp0 -119.98 156.79 30.17 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-O 121.448 0.642 . . . . 0.0 112.125 179.702 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.4 HG21 HD22 ' B' ' 33' ' ' LEU . 45.1 t -106.55 131.56 56.03 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.546 0 N-CA-C 107.335 -1.357 . . . . 0.0 107.335 176.719 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.538 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 50.2 t0 -100.88 160.81 14.06 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.083 0.468 . . . . 0.0 111.283 -178.123 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.538 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 1.0 OUTLIER -50.44 -44.49 55.41 Favored 'General case' 0 C--O 1.218 -0.588 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.387 -178.778 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -62.28 -40.56 96.65 Favored 'General case' 0 C--O 1.244 0.778 0 C-N-CA 119.876 -0.73 . . . . 0.0 111.051 178.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.47 ' O ' HG22 ' B' ' 76' ' ' VAL . 86.5 mt-10 -64.44 -42.08 96.2 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-O 122.422 1.106 . . . . 0.0 109.615 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -63.49 -41.19 98.57 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-N 114.333 -1.303 . . . . 0.0 110.231 178.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.637 HG13 ' HB1' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -60.45 -47.88 90.74 Favored 'Isoleucine or valine' 0 C--O 1.248 0.995 0 CA-C-N 113.725 -1.579 . . . . 0.0 109.843 -178.899 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.47 HG22 ' O ' ' B' ' 73' ' ' GLU . 15.9 m -67.54 -34.36 67.83 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 C-N-CA 117.88 -1.528 . . . . 0.0 109.343 178.587 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.728 ' O ' HD13 ' B' ' 81' ' ' LEU . 25.1 tp -57.37 -50.76 71.94 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 118.902 -1.119 . . . . 0.0 111.627 178.725 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 33.6 m -69.38 -35.93 69.52 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.263 0 C-N-CA 118.775 -1.17 . . . . 0.0 111.664 -179.153 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.734 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . . . -68.54 -49.01 62.78 Favored 'General case' 0 C--O 1.25 1.129 0 C-N-CA 118.981 -1.088 . . . . 0.0 111.759 -179.378 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.02 -39.3 94.34 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.115 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.728 HD13 ' O ' ' B' ' 77' ' ' LEU . 10.1 mp -65.66 -34.43 78.2 Favored 'General case' 0 C--O 1.218 -0.571 0 C-N-CA 119.31 -0.956 . . . . 0.0 109.828 176.813 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 37.8 m -63.21 -50.35 70.64 Favored 'General case' 0 C--O 1.246 0.911 0 C-N-CA 119.756 -0.778 . . . . 0.0 111.327 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.494 ' O ' ' OD1' ' B' ' 87' ' ' ASN . 12.9 p -63.9 -39.19 84.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 119.069 -1.052 . . . . 0.0 110.679 178.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.68 -30.13 70.78 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 121.099 0.476 . . . . 0.0 109.993 178.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 85' ' ' CYS . . . . . 0.514 ' C ' ' SD ' ' B' ' 201' ' ' HCS . 34.0 t -68.36 -55.31 12.47 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.691 -179.628 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.481 ' ND2' HG23 ' A' ' 12' ' ' ILE . 53.7 t-20 -56.73 -40.21 75.31 Favored 'General case' 0 C--O 1.24 0.575 0 C-N-CA 118.372 -1.331 . . . . 0.0 108.479 179.011 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 87' ' ' ASN . . . . . 0.668 ' O ' ' HB2' ' B' ' 91' ' ' GLU . 24.0 m120 -58.89 -40.37 84.25 Favored 'General case' 0 C--O 1.198 -1.616 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 177.618 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.564 ' O ' ' O ' ' B' ' 91' ' ' GLU . 68.4 t80 -63.57 -40.51 97.15 Favored 'General case' 0 C--N 1.302 -1.474 0 C-N-CA 118.23 -1.388 . . . . 0.0 110.528 178.753 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -64.23 -60.8 2.77 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 120.007 -0.677 . . . . 0.0 112.317 -178.396 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.621 ' CD2' ' OH ' ' A' ' 26' ' ' TYR . 20.1 t-105 -68.97 -44.02 73.76 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 119.701 -0.8 . . . . 0.0 111.434 179.012 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.668 ' HB2' ' O ' ' B' ' 87' ' ' ASN . 93.7 mt-10 -98.07 144.67 27.32 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.317 -1.31 . . . . 0.0 111.634 -179.557 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 92' ' ' ASN . . . . . 0.412 ' O ' ' C ' ' B' ' 93' ' ' SER . 48.5 t30 57.07 45.12 21.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.499 179.584 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 93' ' ' SER . . . . . 0.412 ' C ' ' O ' ' B' ' 92' ' ' ASN . 18.8 p . . . . . 0 C--O 1.219 -0.509 0 CA-C-O 117.975 -1.012 . . . . 0.0 110.498 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 201' ' ' HCS . . . . . 0.523 ' SD ' ' C ' ' A' ' 85' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 201' ' ' HCS . . . . . 0.514 ' SD ' ' C ' ' B' ' 85' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.534 ' O ' ' OE1' ' B' ' 40' ' ' GLU . . . . . . . . 0 CA--C 1.525 0.676 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.7 m -82.8 10.92 6.68 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.662 0.268 . . . . 0.0 110.778 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -58.65 -38.06 77.3 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 113.199 0.815 . . . . 0.0 113.199 -177.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.723 ' O ' HD23 ' A' ' 4' ' ' LEU . 5.1 tt -64.23 -42.08 96.71 Favored 'General case' 0 C--O 1.241 0.653 0 C-N-CA 119.201 -1.0 . . . . 0.0 108.716 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.453 ' OE1' ' C ' ' A' ' 5' ' ' GLU . 6.4 tm-20 -63.72 -40.49 96.89 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 114.617 -1.174 . . . . 0.0 109.127 179.508 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 44.3 m -60.4 -39.59 87.91 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.179 178.553 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.59 -43.51 96.72 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.934 179.499 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 97.7 mtp -59.21 -41.3 88.26 Favored 'General case' 0 C--O 1.248 1.017 0 CA-C-O 121.924 0.869 . . . . 0.0 109.079 178.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -64.76 -35.35 80.78 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 114.917 -1.038 . . . . 0.0 110.151 178.025 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 50.3 m -64.52 -43.59 93.55 Favored 'General case' 0 N--CA 1.445 -0.681 0 C-N-CA 120.001 -0.679 . . . . 0.0 110.292 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 38.6 mt -62.24 -42.87 99.7 Favored 'General case' 0 C--O 1.24 0.565 0 C-N-CA 119.317 -0.953 . . . . 0.0 108.984 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.19 -46.18 97.04 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.118 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.49 178.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -61.98 -41.18 97.74 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 -178.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.1 m -73.51 -41.06 56.21 Favored 'Isoleucine or valine' 0 C--O 1.254 1.329 0 C-N-CA 119.138 -1.025 . . . . 0.0 111.317 -179.381 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -60.24 -47.06 87.6 Favored 'General case' 0 CA--C 1.514 -0.441 0 C-N-CA 119.28 -0.968 . . . . 0.0 109.491 177.586 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -63.33 -35.25 79.74 Favored 'General case' 0 CA--C 1.504 -0.79 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.649 177.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.56 ' O ' ' HB2' ' A' ' 21' ' ' LYS . . . -57.59 -51.2 70.48 Favored 'General case' 0 N--CA 1.436 -1.128 0 C-N-CA 118.835 -1.146 . . . . 0.0 109.621 -178.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.499 ' HB2' HD12 ' A' ' 36' ' ' LEU . 47.6 m80 -79.13 -52.86 7.61 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 114.687 1.366 . . . . 0.0 114.687 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.453 ' OG ' ' O ' ' A' ' 24' ' ' ASP . 22.7 t -57.99 -40.5 80.86 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 118.979 -1.089 . . . . 0.0 108.917 -179.081 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -71.66 -43.33 52.21 Favored Glycine 0 C--N 1.341 0.821 0 CA-C-N 115.324 -0.853 . . . . 0.0 112.486 178.65 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.56 ' HB2' ' O ' ' A' ' 17' ' ' ALA . 7.0 ttpm? -58.46 -44.24 89.17 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 119.941 -0.704 . . . . 0.0 111.705 -179.651 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.525 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 84.8 tt0 -135.91 139.3 43.19 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.178 -0.609 . . . . 0.0 110.832 -179.72 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.96 -163.15 52.2 Favored Glycine 0 CA--C 1.521 0.433 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 178.536 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.453 ' O ' ' OG ' ' A' ' 19' ' ' SER . 89.2 m-20 -67.99 142.45 55.94 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 178.729 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.434 ' HZ1' ' HH2' ' B' ' 90' ' ' TRP . 26.3 mtmt -61.1 -32.52 72.19 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.574 -0.739 . . . . 0.0 112.678 -177.808 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.604 ' OH ' ' CE3' ' B' ' 90' ' ' TRP . 98.8 m-85 -106.6 18.16 22.28 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 113.045 0.758 . . . . 0.0 113.045 -177.705 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.424 ' CG ' ' OE2' ' A' ' 68' ' ' GLU . 38.7 tptt -140.49 140.7 35.37 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 119.065 -1.054 . . . . 0.0 108.91 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.4 tp -117.17 131.42 56.88 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.277 -175.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 87.2 p -99.24 165.64 11.6 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 116.751 -0.204 . . . . 0.0 111.064 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.0 ttpm? -54.24 -48.39 71.17 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-O 121.226 0.536 . . . . 0.0 111.857 -177.586 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.586 ' HG3' ' N ' ' A' ' 32' ' ' GLU . 24.8 pttm -61.31 -47.87 83.95 Favored 'General case' 0 N--CA 1.439 -0.987 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.292 -178.722 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.586 ' N ' ' HG3' ' A' ' 31' ' ' LYS . 95.7 mt-10 -62.84 -48.91 77.01 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 120.054 -0.658 . . . . 0.0 112.09 -178.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.1 pp -61.66 -35.82 79.05 Favored 'General case' 0 CA--C 1.501 -0.929 0 C-N-CA 118.53 -1.268 . . . . 0.0 109.85 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.522 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 1.1 tptm -55.96 -36.61 68.0 Favored 'General case' 0 N--CA 1.434 -1.226 0 C-N-CA 118.584 -1.246 . . . . 0.0 108.041 178.154 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.859 ' O ' HG23 ' A' ' 39' ' ' THR . 77.1 mm-40 -74.26 -40.41 62.37 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 179.162 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.744 ' O ' HD23 ' A' ' 36' ' ' LEU . 4.1 tt -65.7 -45.57 82.28 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 119.774 -0.77 . . . . 0.0 111.384 -177.225 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.573 ' O ' ' O ' ' A' ' 41' ' ' LEU . 1.3 mm? -64.25 -43.61 94.37 Favored 'General case' 0 N--CA 1.462 0.148 0 C-N-CA 118.941 -1.104 . . . . 0.0 111.049 179.792 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.522 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 25.5 mt-30 -63.64 -39.25 93.87 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 120.454 -0.498 . . . . 0.0 111.612 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.859 HG23 ' O ' ' A' ' 35' ' ' GLU . 64.1 p -71.36 -32.87 69.03 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.571 -0.451 . . . . 0.0 111.2 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.526 ' OE1' ' O ' ' B' ' 1' ' ' GLY . 77.4 mm-40 -101.86 -59.61 1.67 Allowed 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -178.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.573 ' O ' ' O ' ' A' ' 37' ' ' LEU . 51.3 mt -99.43 141.82 31.72 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.213 0.53 . . . . 0.0 111.521 -179.146 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.6 t -113.09 -59.97 1.95 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.674 179.618 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.92 -39.31 93.89 Favored Glycine 0 CA--C 1.531 1.088 0 CA-C-N 116.018 -0.537 . . . . 0.0 114.215 -178.044 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -62.02 -52.52 63.65 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 118.029 0.914 . . . . 0.0 112.729 -178.072 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -73.03 -38.57 66.49 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.444 -0.502 . . . . 0.0 111.769 178.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 57.0 t0 -60.2 -30.13 69.17 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.54 -179.584 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.17 -29.12 60.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.093 -0.503 . . . . 0.0 112.275 -177.312 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 90.2 mm-40 -90.66 121.37 32.51 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 119.442 -0.903 . . . . 0.0 110.169 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -62.66 -39.16 93.03 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 113.68 0.993 . . . . 0.0 113.68 -179.158 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -69.69 142.35 53.38 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -177.421 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.3 m -74.25 -27.82 22.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.422 178.521 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -81.98 3.83 25.06 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.213 179.399 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.525 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -55.84 -36.97 68.11 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.542 -179.599 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.541 HG13 ' N ' ' A' ' 55' ' ' ASP . 8.4 p -60.79 -42.01 90.68 Favored 'Isoleucine or valine' 0 C--O 1.243 0.749 0 C-N-CA 120.106 -0.638 . . . . 0.0 109.558 178.421 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.541 ' N ' HG13 ' A' ' 54' ' ' VAL . 21.8 t70 -59.89 -42.69 94.36 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.478 -0.783 . . . . 0.0 108.986 179.004 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -63.0 -37.7 88.21 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.171 -0.922 . . . . 0.0 110.239 178.395 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 53' ' ' ALA . 70.9 t -63.46 -45.08 98.84 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.107 0 CA-C-N 116.065 -0.516 . . . . 0.0 112.053 -178.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.554 ' CE ' ' O ' ' A' ' 67' ' ' GLY . 1.5 ptp -65.24 -31.91 73.31 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 -178.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.1 mtmm -57.85 -42.41 84.4 Favored 'General case' 0 C--O 1.231 0.118 0 C-N-CA 119.65 -0.82 . . . . 0.0 112.298 -177.31 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -66.79 -39.74 87.89 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.408 0.623 . . . . 0.0 110.677 178.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 65.9 mt -68.24 -33.36 74.26 Favored 'General case' 0 CA--C 1.513 -0.47 0 CA-C-N 114.842 -1.072 . . . . 0.0 112.948 -178.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.578 ' OD2' ' N ' ' A' ' 66' ' ' ASP . 40.3 t0 -77.62 99.04 5.63 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 119.005 -1.078 . . . . 0.0 112.553 -176.604 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -67.26 -47.36 70.94 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-O 122.643 1.211 . . . . 0.0 111.221 176.085 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 31.4 m120 -58.8 -34.86 71.96 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-N 112.41 -2.177 . . . . 0.0 113.126 -177.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.488 ' C ' ' OD2' ' A' ' 62' ' ' ASP . . . 91.74 2.33 69.78 Favored Glycine 0 CA--C 1.528 0.855 0 N-CA-C 108.35 -1.9 . . . . 0.0 108.35 -177.128 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.67 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 47.4 p30 -62.59 -33.95 76.02 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 114.214 -0.993 . . . . 0.0 112.544 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.67 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 95.57 -2.15 64.62 Favored Glycine 0 C--O 1.226 -0.353 0 N-CA-C 109.356 -1.498 . . . . 0.0 109.356 -178.806 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.447 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 81.8 tt0 -113.55 143.34 44.71 Favored 'General case' 0 C--O 1.243 0.754 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 179.457 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 47.2 t -97.98 135.07 33.93 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.44 0 CA-C-N 116.137 -0.483 . . . . 0.0 112.036 -175.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.563 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 53.9 t0 -100.24 158.59 15.76 Favored 'General case' 0 N--CA 1.462 0.125 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.21 -179.588 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.563 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 1.0 OUTLIER -50.63 -43.96 57.2 Favored 'General case' 0 C--O 1.217 -0.62 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.63 -178.563 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.413 ' HG2' HG21 ' B' ' 83' ' ' VAL . 94.2 mt-30 -61.51 -40.33 94.21 Favored 'General case' 0 C--O 1.244 0.766 0 C-N-CA 119.712 -0.795 . . . . 0.0 110.69 179.096 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.443 ' O ' HG22 ' A' ' 76' ' ' VAL . 92.2 mt-10 -65.07 -42.11 94.46 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-O 122.111 0.958 . . . . 0.0 109.925 179.745 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -63.22 -40.97 98.98 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-N 114.9 -1.046 . . . . 0.0 109.837 178.458 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.62 HG13 ' HB1' ' B' ' 79' ' ' ALA . 0.5 OUTLIER -60.37 -48.02 90.04 Favored 'Isoleucine or valine' 0 C--O 1.248 0.975 0 CA-C-N 113.686 -1.597 . . . . 0.0 110.135 -179.066 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.443 HG22 ' O ' ' A' ' 73' ' ' GLU . 14.4 m -67.47 -34.87 71.22 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.495 0 C-N-CA 117.747 -1.581 . . . . 0.0 109.25 178.855 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.627 ' O ' HD13 ' A' ' 81' ' ' LEU . 30.0 tp -56.21 -52.19 65.33 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 118.765 -1.174 . . . . 0.0 111.677 178.224 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 34.4 m -68.03 -36.61 76.12 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 C-N-CA 118.487 -1.285 . . . . 0.0 111.852 -179.022 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.718 ' HB2' ' HB2' ' B' ' 79' ' ' ALA . . . -68.9 -49.32 59.19 Favored 'General case' 0 C--O 1.248 1.007 0 C-N-CA 119.072 -1.051 . . . . 0.0 112.24 -179.109 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.92 -39.92 96.02 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.627 HD13 ' O ' ' A' ' 77' ' ' LEU . 10.7 mp -65.05 -34.48 78.53 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 119.213 -0.995 . . . . 0.0 109.71 176.837 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 40.0 m -62.95 -50.05 72.34 Favored 'General case' 0 C--O 1.243 0.754 0 C-N-CA 119.71 -0.796 . . . . 0.0 111.479 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.417 HG21 ' HG2' ' B' ' 72' ' ' GLN . 13.7 p -64.16 -39.3 85.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 119.188 -1.005 . . . . 0.0 110.693 178.827 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.563 ' O ' ' CD1' ' A' ' 88' ' ' PHE . . . -65.58 -30.58 71.33 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 121.1 0.476 . . . . 0.0 109.892 178.781 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 45.2 t -68.05 -54.42 18.42 Favored 'General case' 0 CA--C 1.511 -0.521 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.478 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 34.7 t30 -56.44 -41.1 75.89 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 118.744 -1.183 . . . . 0.0 108.721 179.029 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -59.49 -38.24 80.35 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.945 178.362 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.563 ' CD1' ' O ' ' A' ' 84' ' ' ALA . 4.5 m-30 -66.31 -41.23 90.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.864 179.394 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -64.59 -52.31 58.21 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.191 -0.604 . . . . 0.0 111.408 -179.348 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.591 ' CE3' ' OH ' ' B' ' 26' ' ' TYR . 22.8 t-105 -66.65 -39.48 88.26 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-O 121.232 0.539 . . . . 0.0 112.023 179.155 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.54 ' O ' ' O ' ' A' ' 88' ' ' PHE . 4.8 tm-20 -104.42 139.38 39.44 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.935 -176.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.491 ' N ' ' OE1' ' A' ' 91' ' ' GLU . 23.6 m120 -105.79 137.81 43.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.417 179.696 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.1 t . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.627 179.957 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' GLY . . . . . 0.526 ' O ' ' OE1' ' A' ' 40' ' ' GLU . . . . . . . . 0 CA--C 1.525 0.665 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 75.7 m -82.87 10.99 6.6 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.634 0.254 . . . . 0.0 110.772 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -58.69 -38.05 77.38 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 -177.671 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.733 ' O ' HD23 ' B' ' 4' ' ' LEU . 5.1 tt -64.26 -42.02 96.67 Favored 'General case' 0 C--O 1.24 0.601 0 C-N-CA 119.222 -0.991 . . . . 0.0 108.72 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.452 ' C ' ' OE1' ' B' ' 5' ' ' GLU . 6.4 tm-20 -63.79 -40.48 96.77 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 114.586 -1.188 . . . . 0.0 109.034 179.526 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 44.3 m -60.42 -39.53 87.78 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.208 178.624 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.51 -43.54 96.9 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.964 179.439 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 97.7 mtp -59.35 -41.25 88.77 Favored 'General case' 0 C--O 1.25 1.101 0 CA-C-O 121.81 0.814 . . . . 0.0 109.07 178.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -64.74 -36.17 83.42 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.009 178.067 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 50.3 m -63.65 -43.78 95.76 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 119.922 -0.711 . . . . 0.0 110.455 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 43.8 mt -62.31 -42.75 99.63 Favored 'General case' 0 C--O 1.24 0.589 0 C-N-CA 119.367 -0.933 . . . . 0.0 108.995 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.18 -46.11 97.19 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.481 178.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -61.97 -41.26 97.81 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -178.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 14.1 m -73.49 -40.99 56.32 Favored 'Isoleucine or valine' 0 C--O 1.254 1.321 0 C-N-CA 119.092 -1.043 . . . . 0.0 111.275 -179.4 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -60.33 -47.08 87.59 Favored 'General case' 0 CA--C 1.512 -0.491 0 C-N-CA 119.322 -0.951 . . . . 0.0 109.444 177.616 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -63.38 -35.09 79.26 Favored 'General case' 0 CA--C 1.502 -0.866 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.692 177.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.549 ' O ' ' HB2' ' B' ' 21' ' ' LYS . . . -57.64 -51.17 70.62 Favored 'General case' 0 N--CA 1.437 -1.111 0 C-N-CA 118.832 -1.147 . . . . 0.0 109.62 -178.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.536 ' HB2' HD12 ' B' ' 36' ' ' LEU . 47.4 m80 -79.12 -52.95 7.5 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 114.671 1.36 . . . . 0.0 114.671 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.424 ' OG ' ' O ' ' B' ' 24' ' ' ASP . 22.6 t -57.86 -40.61 80.58 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 119.022 -1.071 . . . . 0.0 108.989 -179.164 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -71.61 -43.35 52.56 Favored Glycine 0 C--N 1.341 0.81 0 CA-C-N 115.336 -0.847 . . . . 0.0 112.47 178.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.549 ' HB2' ' O ' ' B' ' 17' ' ' ALA . 7.0 ttpm? -58.58 -44.13 89.67 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 119.95 -0.7 . . . . 0.0 111.638 -179.575 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.522 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 84.7 tt0 -135.93 139.25 43.12 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.303 -0.559 . . . . 0.0 110.962 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.93 -163.06 52.17 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 178.606 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.424 ' O ' ' OG ' ' B' ' 19' ' ' SER . 88.9 m-20 -68.05 142.47 55.86 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 178.711 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 26.2 mtmt -61.17 -32.54 72.28 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.54 -0.755 . . . . 0.0 112.588 -177.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.591 ' OH ' ' CE3' ' A' ' 90' ' ' TRP . 98.7 m-85 -106.47 18.15 22.35 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 -177.75 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.422 ' CG ' ' OE2' ' B' ' 68' ' ' GLU . 39.6 tptt -140.41 140.82 35.54 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 119.083 -1.047 . . . . 0.0 109.044 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 14.5 tp -117.29 131.5 56.8 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.184 -175.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 87.4 p -99.35 165.64 11.57 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 116.792 -0.185 . . . . 0.0 111.078 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 5.0 ttpm? -54.28 -48.41 71.28 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 121.218 0.532 . . . . 0.0 111.908 -177.557 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.579 ' HG3' ' N ' ' B' ' 32' ' ' GLU . 24.8 pttm -61.34 -47.82 84.14 Favored 'General case' 0 N--CA 1.439 -0.999 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.263 -178.753 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.579 ' N ' ' HG3' ' B' ' 31' ' ' LYS . 95.7 mt-10 -62.74 -49.02 76.67 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 120.01 -0.676 . . . . 0.0 112.097 -178.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.1 pp -61.55 -35.94 79.2 Favored 'General case' 0 CA--C 1.5 -0.959 0 C-N-CA 118.53 -1.268 . . . . 0.0 109.841 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.531 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 1.0 OUTLIER -55.82 -36.63 67.67 Favored 'General case' 0 N--CA 1.434 -1.263 0 C-N-CA 118.597 -1.241 . . . . 0.0 108.198 178.146 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.875 ' O ' HG23 ' B' ' 39' ' ' THR . 77.2 mm-40 -74.27 -40.41 62.35 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 179.118 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.746 ' O ' HD23 ' B' ' 36' ' ' LEU . 4.2 tt -65.62 -45.64 82.35 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 119.773 -0.771 . . . . 0.0 111.428 -177.215 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.574 ' O ' ' O ' ' B' ' 41' ' ' LEU . 1.3 mm? -64.25 -43.57 94.48 Favored 'General case' 0 N--CA 1.462 0.175 0 C-N-CA 118.89 -1.124 . . . . 0.0 111.083 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.531 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 25.5 mt-30 -63.62 -39.27 93.93 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.486 -0.486 . . . . 0.0 111.648 179.671 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.875 HG23 ' O ' ' B' ' 35' ' ' GLU . 64.6 p -71.38 -32.87 68.98 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.578 -0.449 . . . . 0.0 111.181 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.534 ' OE1' ' O ' ' A' ' 1' ' ' GLY . 77.4 mm-40 -101.8 -59.65 1.67 Allowed 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 113.361 0.875 . . . . 0.0 113.361 -178.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.574 ' O ' ' O ' ' B' ' 37' ' ' LEU . 51.8 mt -99.52 141.73 31.93 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.271 0.558 . . . . 0.0 111.506 -179.075 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 2.6 t -112.99 -59.92 1.95 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.73 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.96 -39.36 94.06 Favored Glycine 0 CA--C 1.531 1.051 0 CA-C-N 115.973 -0.558 . . . . 0.0 114.136 -178.047 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -62.11 -52.41 63.99 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 118.052 0.926 . . . . 0.0 112.726 -177.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -73.04 -38.58 66.46 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 120.394 -0.522 . . . . 0.0 111.727 178.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 57.0 t0 -60.21 -30.04 69.13 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.617 -179.622 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.22 -29.14 60.57 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.338 0.495 . . . . 0.0 112.338 -177.369 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 90.2 mm-40 -90.55 121.35 32.41 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 119.439 -0.905 . . . . 0.0 110.179 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -62.66 -39.18 93.1 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 -179.149 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -69.7 142.34 53.36 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -177.404 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 4.4 m -74.3 -27.72 21.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.39 178.579 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -82.01 3.81 25.23 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.214 179.396 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.527 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -55.88 -36.9 68.15 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.519 -179.541 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.543 HG13 ' N ' ' B' ' 55' ' ' ASP . 8.4 p -60.72 -41.99 90.38 Favored 'Isoleucine or valine' 0 C--O 1.244 0.787 0 C-N-CA 120.144 -0.622 . . . . 0.0 109.605 178.328 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.543 ' N ' HG13 ' B' ' 54' ' ' VAL . 21.9 t70 -59.92 -42.79 94.68 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.466 -0.788 . . . . 0.0 108.917 179.012 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -62.81 -37.89 88.52 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.175 178.467 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.527 HG23 ' O ' ' B' ' 53' ' ' ALA . 71.0 t -63.48 -45.02 98.98 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.054 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.039 -178.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.542 ' CE ' ' O ' ' B' ' 67' ' ' GLY . 1.5 ptp -65.39 -31.75 73.02 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 113.345 0.869 . . . . 0.0 113.345 -178.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 19.2 mtmm -57.87 -42.43 84.55 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 119.694 -0.803 . . . . 0.0 112.27 -177.335 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -66.83 -39.62 87.72 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.455 0.645 . . . . 0.0 110.724 178.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 65.9 mt -68.3 -33.39 74.24 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 114.928 -1.033 . . . . 0.0 112.948 -178.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.581 ' OD2' ' N ' ' B' ' 66' ' ' ASP . 40.3 t0 -77.56 98.99 5.56 Favored 'General case' 0 C--N 1.319 -0.748 0 C-N-CA 119.04 -1.064 . . . . 0.0 112.535 -176.578 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -67.26 -47.27 71.22 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-O 122.646 1.213 . . . . 0.0 111.221 176.07 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 31.4 m120 -58.92 -34.82 72.14 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-N 112.45 -2.159 . . . . 0.0 113.029 -177.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.483 ' C ' ' OD2' ' B' ' 62' ' ' ASP . . . 91.63 2.39 69.99 Favored Glycine 0 CA--C 1.528 0.845 0 N-CA-C 108.332 -1.907 . . . . 0.0 108.332 -177.064 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.666 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 47.2 p30 -62.64 -33.93 76.02 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 114.24 -0.98 . . . . 0.0 112.514 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.666 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 95.58 -2.18 64.62 Favored Glycine 0 C--O 1.226 -0.347 0 N-CA-C 109.337 -1.505 . . . . 0.0 109.337 -178.76 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.425 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 82.0 tt0 -113.55 143.38 44.64 Favored 'General case' 0 C--O 1.243 0.73 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.531 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 47.4 t -98.01 135.03 34.14 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.392 0 CA-C-N 116.155 -0.475 . . . . 0.0 112.023 -175.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.562 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 53.3 t0 -99.99 158.62 15.69 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.131 -179.559 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.562 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 1.0 OUTLIER -50.77 -43.98 58.6 Favored 'General case' 0 C--O 1.217 -0.62 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.57 -178.743 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.417 ' HG2' HG21 ' A' ' 83' ' ' VAL . 94.2 mt-30 -61.42 -40.37 94.19 Favored 'General case' 0 C--O 1.243 0.753 0 C-N-CA 119.691 -0.803 . . . . 0.0 110.727 179.046 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.444 ' O ' HG22 ' B' ' 76' ' ' VAL . 92.3 mt-10 -65.04 -42.13 94.58 Favored 'General case' 0 C--O 1.243 0.711 0 CA-C-O 122.139 0.971 . . . . 0.0 109.902 179.775 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -63.2 -41.0 99.1 Favored 'General case' 0 C--O 1.241 0.626 0 CA-C-N 114.854 -1.066 . . . . 0.0 109.82 178.529 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.602 HG13 ' HB1' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -60.36 -48.08 89.78 Favored 'Isoleucine or valine' 0 C--O 1.248 0.99 0 CA-C-N 113.689 -1.596 . . . . 0.0 110.174 -179.084 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.444 HG22 ' O ' ' B' ' 73' ' ' GLU . 14.5 m -67.37 -34.88 71.6 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.544 0 C-N-CA 117.762 -1.575 . . . . 0.0 109.324 178.751 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.632 ' O ' HD13 ' B' ' 81' ' ' LEU . 30.3 tp -56.24 -52.18 65.38 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 118.758 -1.177 . . . . 0.0 111.619 178.239 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 34.5 m -68.07 -36.61 76.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 118.413 -1.315 . . . . 0.0 111.828 -178.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.718 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . . . -68.85 -49.28 59.69 Favored 'General case' 0 C--O 1.248 0.975 0 C-N-CA 118.975 -1.09 . . . . 0.0 112.3 -179.135 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.92 -39.86 95.85 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.632 HD13 ' O ' ' B' ' 77' ' ' LEU . 10.7 mp -65.06 -34.52 78.62 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 119.204 -0.998 . . . . 0.0 109.751 176.69 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 40.3 m -63.0 -49.95 72.66 Favored 'General case' 0 C--O 1.244 0.803 0 C-N-CA 119.678 -0.809 . . . . 0.0 111.438 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.413 HG21 ' HG2' ' A' ' 72' ' ' GLN . 13.7 p -64.21 -39.2 84.67 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 119.167 -1.013 . . . . 0.0 110.751 178.794 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.574 ' O ' ' CD1' ' B' ' 88' ' ' PHE . . . -65.58 -30.58 71.33 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 121.13 0.491 . . . . 0.0 109.96 178.717 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 44.8 t -68.06 -54.45 18.22 Favored 'General case' 0 CA--C 1.511 -0.526 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.495 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 34.7 t30 -56.37 -41.13 75.67 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 118.713 -1.195 . . . . 0.0 108.697 178.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -59.5 -38.22 80.34 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.939 178.447 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.574 ' CD1' ' O ' ' B' ' 84' ' ' ALA . 4.5 m-30 -66.42 -41.14 89.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.866 179.423 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -64.59 -52.35 58.0 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.214 -0.594 . . . . 0.0 111.404 -179.372 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.604 ' CE3' ' OH ' ' A' ' 26' ' ' TYR . 22.9 t-105 -66.66 -39.33 88.13 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 121.153 0.501 . . . . 0.0 111.998 179.161 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.554 ' O ' ' O ' ' B' ' 88' ' ' PHE . 4.8 tm-20 -104.61 139.34 39.61 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.842 -176.831 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 92' ' ' ASN . . . . . 0.486 ' N ' ' OE1' ' B' ' 91' ' ' GLU . 23.6 m120 -105.77 137.91 42.85 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.454 179.609 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 2.1 t . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 117.988 -1.006 . . . . 0.0 110.563 -179.965 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 201' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 201' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.624 ' O ' ' N ' ' A' ' 3' ' ' GLU . . . . . . . . 0 CA--C 1.525 0.703 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 1' ' ' GLY . 72.7 m 34.82 24.65 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.652 0.263 . . . . 0.0 111.196 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.624 ' N ' ' O ' ' A' ' 1' ' ' GLY . 42.7 tp10 -59.16 -36.64 75.64 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-O 121.119 0.485 . . . . 0.0 109.743 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.735 ' O ' HD23 ' A' ' 4' ' ' LEU . 4.8 tt -59.67 -39.82 85.73 Favored 'General case' 0 C--O 1.238 0.493 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 178.781 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.448 ' OE1' ' C ' ' A' ' 5' ' ' GLU . 5.6 tm-20 -61.63 -39.91 93.0 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 114.571 -1.195 . . . . 0.0 108.993 179.171 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 41.7 m -60.4 -40.84 92.37 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 108.96 -0.755 . . . . 0.0 108.96 178.586 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.07 -40.42 97.61 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 120.113 -0.635 . . . . 0.0 109.887 179.092 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 98.4 mtp -59.53 -41.28 89.64 Favored 'General case' 0 C--O 1.251 1.181 0 CA-C-O 122.133 0.968 . . . . 0.0 108.596 178.677 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -64.0 -35.44 80.72 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 114.63 -1.168 . . . . 0.0 109.662 177.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 73.6 m -63.86 -44.1 94.13 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 120.211 -0.596 . . . . 0.0 110.879 179.491 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 35.8 mt -62.18 -42.16 99.02 Favored 'General case' 0 C--O 1.239 0.538 0 C-N-CA 119.34 -0.944 . . . . 0.0 108.463 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.7 mt -61.76 -45.44 98.67 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.4 178.396 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -62.22 -41.98 98.88 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 -178.677 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.5 m -74.12 -41.24 51.91 Favored 'Isoleucine or valine' 0 C--O 1.253 1.288 0 C-N-CA 119.152 -1.019 . . . . 0.0 111.494 -179.434 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -60.82 -46.96 88.48 Favored 'General case' 0 CA--C 1.51 -0.586 0 C-N-CA 119.261 -0.976 . . . . 0.0 109.393 177.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -63.34 -35.69 81.23 Favored 'General case' 0 CA--C 1.5 -0.968 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.951 177.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.544 ' O ' ' HB2' ' A' ' 21' ' ' LYS . . . -57.75 -51.47 69.42 Favored 'General case' 0 N--CA 1.434 -1.266 0 C-N-CA 118.753 -1.179 . . . . 0.0 109.632 -178.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.493 ' CD2' ' HG ' ' A' ' 36' ' ' LEU . 29.9 m-70 -79.11 -52.5 8.1 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.446 ' OG ' ' C ' ' A' ' 25' ' ' LYS . 23.1 t -58.09 -40.72 81.84 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 119.232 -0.987 . . . . 0.0 109.222 -179.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -70.63 -43.62 59.78 Favored Glycine 0 C--N 1.345 1.072 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.137 178.068 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.544 ' HB2' ' O ' ' A' ' 17' ' ' ALA . 6.1 ttpm? -58.46 -42.38 87.32 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 119.816 -0.754 . . . . 0.0 111.317 -179.515 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.441 ' C ' ' OE2' ' A' ' 32' ' ' GLU . 77.2 mm-40 -129.97 150.17 51.37 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 120.808 -0.357 . . . . 0.0 111.63 179.21 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.97 -151.76 25.51 Favored Glycine 0 CA--C 1.524 0.64 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.949 178.062 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.426 ' O ' ' OG ' ' A' ' 19' ' ' SER . 89.2 m-20 -72.68 140.65 48.03 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 121.213 0.53 . . . . 0.0 110.434 179.407 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.447 ' HB2' ' CD2' ' A' ' 26' ' ' TYR . 47.9 mttm -61.37 -32.73 72.64 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.814 -178.806 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.603 ' OH ' ' CG ' ' B' ' 90' ' ' TRP . 98.6 m-85 -103.11 16.0 27.8 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.038 -0.983 . . . . 0.0 113.262 -175.437 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.426 ' CG ' ' OE2' ' A' ' 68' ' ' GLU . 41.1 tptt -143.01 141.85 31.45 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 119.148 -1.021 . . . . 0.0 108.841 179.135 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.7 tp -116.16 132.13 56.75 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 120.709 -0.396 . . . . 0.0 111.165 -176.354 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.2 t -101.86 160.59 14.35 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.827 -179.609 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.1 ttpt -52.46 -45.91 66.28 Favored 'General case' 0 CA--C 1.509 -0.597 0 C-N-CA 120.473 -0.491 . . . . 0.0 111.086 -178.315 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.43 ' HG3' ' N ' ' A' ' 32' ' ' GLU . 1.4 ptpm? -61.28 -40.97 96.11 Favored 'General case' 0 N--CA 1.436 -1.138 0 C-N-CA 119.695 -0.802 . . . . 0.0 110.01 -178.433 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.441 ' OE2' ' C ' ' A' ' 22' ' ' GLU . 94.4 mt-10 -70.48 -53.45 16.25 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 119.888 -0.725 . . . . 0.0 112.46 -178.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.6 pp -59.25 -36.76 76.08 Favored 'General case' 0 CA--C 1.5 -0.958 0 C-N-CA 119.578 -0.849 . . . . 0.0 110.758 -178.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.7 tptp -56.42 -37.13 69.78 Favored 'General case' 0 N--CA 1.433 -1.296 0 C-N-CA 118.24 -1.384 . . . . 0.0 108.208 178.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.882 ' O ' HG23 ' A' ' 39' ' ' THR . 97.2 mt-10 -74.99 -40.15 60.84 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 179.259 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.75 ' O ' HD23 ' A' ' 36' ' ' LEU . 4.2 tt -64.95 -45.06 87.3 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 119.75 -0.78 . . . . 0.0 111.025 -177.622 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.559 ' O ' ' O ' ' A' ' 41' ' ' LEU . 1.7 mm? -64.62 -43.53 93.46 Favored 'General case' 0 C--N 1.343 0.284 0 C-N-CA 118.962 -1.095 . . . . 0.0 111.065 179.645 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -62.78 -38.55 91.07 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 120.207 -0.597 . . . . 0.0 111.174 179.378 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.882 HG23 ' O ' ' A' ' 35' ' ' GLU . 62.3 p -71.14 -33.36 70.0 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.556 -0.458 . . . . 0.0 111.268 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -102.15 -60.58 1.51 Allowed 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 113.075 0.769 . . . . 0.0 113.075 -179.286 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.559 ' O ' ' O ' ' A' ' 37' ' ' LEU . 52.2 mt -98.61 141.25 31.68 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.365 0.603 . . . . 0.0 111.727 -178.834 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.2 t -114.37 -57.89 2.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.519 179.412 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.58 -39.69 93.59 Favored Glycine 0 CA--C 1.531 1.033 0 CA-C-N 116.068 -0.515 . . . . 0.0 113.942 -178.258 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -62.79 -53.01 60.78 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 118.001 0.9 . . . . 0.0 112.604 -178.204 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -73.53 -39.37 64.82 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 120.386 -0.525 . . . . 0.0 111.639 178.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 58.7 t0 -60.73 -30.33 69.91 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.525 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.24 -29.68 61.37 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.123 -0.49 . . . . 0.0 112.035 -177.378 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.7 mm-40 -91.91 118.65 30.94 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 119.403 -0.919 . . . . 0.0 109.911 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.3 tttt -63.01 -39.39 94.61 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 -178.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -69.69 142.58 53.34 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -177.248 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.5 m -73.49 -27.26 23.2 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.087 178.329 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -76.41 -1.76 28.62 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.419 179.32 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.543 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -56.47 -37.17 69.95 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.026 -179.324 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.59 HG13 ' N ' ' A' ' 55' ' ' ASP . 7.2 p -59.99 -43.92 93.54 Favored 'Isoleucine or valine' 0 C--O 1.241 0.641 0 C-N-CA 120.001 -0.68 . . . . 0.0 110.038 178.651 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.59 ' N ' HG13 ' A' ' 54' ' ' VAL . 94.0 m-20 -61.01 -41.03 95.75 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.116 178.619 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -62.02 -38.08 87.3 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.86 178.439 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 53' ' ' ALA . 76.3 t -65.57 -46.06 90.67 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.11 0 N-CA-C 112.984 0.735 . . . . 0.0 112.984 -178.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.537 ' CE ' ' O ' ' A' ' 67' ' ' GLY . 1.9 ptp -66.69 -34.83 78.73 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 119.235 -0.986 . . . . 0.0 113.224 -177.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 35.9 mmtt -58.93 -41.46 87.41 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 119.277 -0.969 . . . . 0.0 112.131 -178.053 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -66.17 -41.79 89.81 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.001 -0.68 . . . . 0.0 110.922 179.34 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 75.2 mt -68.94 -33.79 74.3 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.083 -0.962 . . . . 0.0 112.778 -179.257 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.658 ' OD2' ' N ' ' A' ' 66' ' ' ASP . 50.8 t0 -79.64 101.3 8.27 Favored 'General case' 0 C--N 1.316 -0.875 0 C-N-CA 119.795 -0.762 . . . . 0.0 112.924 -175.674 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -66.67 -46.23 76.36 Favored 'General case' 0 CA--C 1.51 -0.572 0 CA-C-O 122.713 1.244 . . . . 0.0 111.211 176.043 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -58.33 -33.67 69.76 Favored 'General case' 0 C--N 1.301 -1.543 0 CA-C-N 112.286 -2.234 . . . . 0.0 112.771 -177.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 84.95 16.42 65.29 Favored Glycine 0 CA--C 1.527 0.842 0 N-CA-C 108.689 -1.764 . . . . 0.0 108.689 -177.215 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.658 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 47.0 p30 -85.04 4.45 33.88 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 114.627 -0.786 . . . . 0.0 112.082 -179.075 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.618 ' N ' ' OD2' ' A' ' 62' ' ' ASP . . . 62.5 -4.27 0.68 Allowed Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.716 -0.954 . . . . 0.0 110.716 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.544 ' H ' ' C ' ' A' ' 66' ' ' ASP . 82.8 tt0 -110.43 143.44 40.73 Favored 'General case' 0 C--O 1.243 0.731 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 -179.606 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 62.0 t -100.02 135.1 37.19 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.753 0 CA-C-N 116.188 -0.46 . . . . 0.0 112.061 -176.014 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.55 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 52.9 t0 -99.59 159.33 15.12 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 121.312 0.577 . . . . 0.0 111.238 -179.304 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.55 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 1.0 OUTLIER -50.73 -44.34 58.28 Favored 'General case' 0 C--O 1.22 -0.488 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.76 -178.528 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.423 ' HG2' HG21 ' B' ' 83' ' ' VAL . 94.2 mt-30 -61.6 -40.56 95.22 Favored 'General case' 0 C--O 1.244 0.797 0 C-N-CA 119.752 -0.779 . . . . 0.0 110.763 179.045 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.461 ' O ' HG22 ' A' ' 76' ' ' VAL . 92.3 mt-10 -64.81 -42.15 95.23 Favored 'General case' 0 C--O 1.242 0.7 0 CA-C-O 122.229 1.014 . . . . 0.0 110.0 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -63.21 -41.05 99.1 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-N 114.718 -1.128 . . . . 0.0 109.816 178.307 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.621 HG13 ' HB1' ' B' ' 79' ' ' ALA . 0.5 OUTLIER -59.96 -48.16 88.88 Favored 'Isoleucine or valine' 0 C--O 1.248 1.003 0 CA-C-N 113.589 -1.641 . . . . 0.0 110.132 -179.138 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.461 HG22 ' O ' ' A' ' 73' ' ' GLU . 15.3 m -67.26 -35.15 73.16 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.563 0 C-N-CA 117.83 -1.548 . . . . 0.0 109.406 178.758 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.569 ' O ' HD13 ' A' ' 81' ' ' LEU . 33.1 tp -56.3 -51.97 66.25 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 118.813 -1.155 . . . . 0.0 111.861 178.194 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 34.4 m -68.75 -36.2 73.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 C-N-CA 118.415 -1.314 . . . . 0.0 111.952 -178.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.711 ' HB2' ' HB2' ' B' ' 79' ' ' ALA . . . -68.73 -48.79 62.92 Favored 'General case' 0 C--O 1.249 1.048 0 C-N-CA 118.951 -1.1 . . . . 0.0 112.108 -179.432 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.89 -40.44 97.55 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 179.634 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.569 HD13 ' O ' ' A' ' 77' ' ' LEU . 10.6 mp -65.37 -33.81 76.84 Favored 'General case' 0 C--O 1.216 -0.692 0 C-N-CA 119.141 -1.024 . . . . 0.0 109.913 176.745 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 43.9 m -62.81 -50.18 72.02 Favored 'General case' 0 C--O 1.247 0.931 0 C-N-CA 119.646 -0.822 . . . . 0.0 111.171 179.359 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.432 HG21 ' HG2' ' B' ' 72' ' ' GLN . 13.9 p -63.59 -39.41 85.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.575 0 C-N-CA 118.942 -1.103 . . . . 0.0 110.66 178.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.428 ' O ' ' CD2' ' A' ' 88' ' ' PHE . . . -64.62 -33.78 76.73 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 121.145 0.498 . . . . 0.0 109.826 178.806 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 47.3 t -63.54 -54.13 41.05 Favored 'General case' 0 CA--C 1.506 -0.72 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.242 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -55.86 -40.47 72.95 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 118.484 -1.286 . . . . 0.0 108.62 178.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.69 ' O ' ' HB2' ' A' ' 91' ' ' GLU . 41.0 m-20 -59.89 -41.96 92.76 Favored 'General case' 0 C--O 1.202 -1.445 0 C-N-CA 120.162 -0.615 . . . . 0.0 110.55 178.539 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.533 ' O ' ' O ' ' A' ' 91' ' ' GLU . 76.1 m-85 -66.78 -35.39 79.96 Favored 'General case' 0 C--N 1.31 -1.139 0 C-N-CA 117.198 -1.801 . . . . 0.0 110.696 178.72 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -64.68 -61.5 2.15 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 119.657 -0.817 . . . . 0.0 111.832 -178.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.615 ' CG ' ' OH ' ' B' ' 26' ' ' TYR . 17.8 t-105 -69.43 -43.59 73.03 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.691 0.757 . . . . 0.0 111.433 178.758 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.69 ' HB2' ' O ' ' A' ' 87' ' ' ASN . 96.2 mt-10 -99.51 148.59 24.1 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 114.344 -1.298 . . . . 0.0 111.475 -178.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -104.7 137.79 41.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.549 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.0 m . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 118.054 -0.974 . . . . 0.0 110.5 179.985 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' GLY . . . . . 0.628 ' O ' ' N ' ' B' ' 3' ' ' GLU . . . . . . . . 0 CA--C 1.523 0.588 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 2' ' ' SER . . . . . 0.412 ' C ' ' O ' ' B' ' 1' ' ' GLY . 72.9 m 34.78 24.68 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.617 0.246 . . . . 0.0 111.18 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.628 ' N ' ' O ' ' B' ' 1' ' ' GLY . 42.5 tp10 -59.08 -36.72 75.57 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-O 121.071 0.462 . . . . 0.0 109.757 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.722 ' O ' HD23 ' B' ' 4' ' ' LEU . 4.8 tt -59.7 -39.82 85.85 Favored 'General case' 0 C--O 1.238 0.448 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 178.793 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.459 ' C ' ' OE1' ' B' ' 5' ' ' GLU . 5.6 tm-20 -61.64 -39.88 92.9 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 114.548 -1.205 . . . . 0.0 108.99 179.177 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 41.2 m -60.37 -40.76 91.97 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 178.551 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.11 -40.51 97.84 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.915 179.064 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 98.5 mtp -59.47 -41.25 89.3 Favored 'General case' 0 C--O 1.252 1.236 0 CA-C-O 122.088 0.947 . . . . 0.0 108.652 178.651 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -64.0 -36.0 82.56 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 114.704 -1.134 . . . . 0.0 109.533 177.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 71.0 m -63.22 -44.24 95.85 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 120.143 -0.623 . . . . 0.0 111.071 179.328 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 40.4 mt -62.19 -42.14 99.0 Favored 'General case' 0 C--O 1.24 0.56 0 C-N-CA 119.276 -0.97 . . . . 0.0 108.422 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.7 mt -61.71 -45.44 98.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.518 178.399 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -62.21 -41.89 98.8 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 -178.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 15.6 m -74.11 -41.34 51.93 Favored 'Isoleucine or valine' 0 C--O 1.253 1.258 0 C-N-CA 119.256 -0.977 . . . . 0.0 111.432 -179.459 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -60.77 -47.05 88.09 Favored 'General case' 0 CA--C 1.512 -0.51 0 C-N-CA 119.257 -0.977 . . . . 0.0 109.397 177.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -63.17 -35.79 81.49 Favored 'General case' 0 CA--C 1.501 -0.932 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.973 177.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.54 ' O ' ' HB2' ' B' ' 21' ' ' LYS . . . -57.73 -51.5 69.29 Favored 'General case' 0 N--CA 1.434 -1.272 0 C-N-CA 118.721 -1.191 . . . . 0.0 109.63 -178.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.508 ' HB2' HD12 ' B' ' 36' ' ' LEU . 30.0 m-70 -78.9 -52.66 7.98 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 114.603 1.334 . . . . 0.0 114.603 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.486 ' OG ' ' O ' ' B' ' 24' ' ' ASP . 23.1 t -58.09 -40.76 81.95 Favored 'General case' 0 C--O 1.233 0.209 0 C-N-CA 119.17 -1.012 . . . . 0.0 109.229 -178.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -70.6 -43.62 60.0 Favored Glycine 0 C--N 1.344 1.002 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.031 178.12 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.54 ' HB2' ' O ' ' B' ' 17' ' ' ALA . 6.0 ttpm? -58.6 -42.33 87.85 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 119.854 -0.738 . . . . 0.0 111.259 -179.413 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.443 ' C ' ' OE2' ' B' ' 32' ' ' GLU . 77.3 mm-40 -129.97 150.04 51.42 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 120.818 -0.353 . . . . 0.0 111.749 179.16 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.98 -151.73 25.61 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.892 -0.483 . . . . 0.0 111.892 178.086 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.486 ' O ' ' OG ' ' B' ' 19' ' ' SER . 89.2 m-20 -72.63 140.51 48.02 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.155 0.502 . . . . 0.0 110.514 179.425 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.451 ' C ' ' OG ' ' B' ' 19' ' ' SER . 47.9 mttm -61.31 -32.73 72.59 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.853 -178.789 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.615 ' OH ' ' CG ' ' A' ' 90' ' ' TRP . 98.6 m-85 -103.05 15.98 27.91 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.016 -0.993 . . . . 0.0 113.247 -175.511 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.416 ' CG ' ' OE2' ' B' ' 68' ' ' GLU . 41.7 tptt -142.94 141.87 31.56 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 119.133 -1.027 . . . . 0.0 108.874 179.146 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 12.7 tp -116.19 132.09 56.76 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 120.641 -0.424 . . . . 0.0 111.13 -176.41 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 25.9 t -101.81 160.53 14.4 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 -179.68 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 22.1 ttpt -52.37 -45.94 65.99 Favored 'General case' 0 CA--C 1.51 -0.594 0 C-N-CA 120.476 -0.49 . . . . 0.0 111.111 -178.318 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.436 ' HG3' ' N ' ' B' ' 32' ' ' GLU . 1.4 ptpm? -61.38 -40.86 95.9 Favored 'General case' 0 N--CA 1.437 -1.09 0 C-N-CA 119.668 -0.813 . . . . 0.0 109.967 -178.395 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.443 ' OE2' ' C ' ' B' ' 22' ' ' GLU . 94.4 mt-10 -70.61 -53.33 16.34 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 119.99 -0.684 . . . . 0.0 112.417 -178.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 2.6 pp -59.33 -36.8 76.32 Favored 'General case' 0 CA--C 1.501 -0.923 0 C-N-CA 119.553 -0.859 . . . . 0.0 110.814 -178.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 14.7 tptp -56.35 -37.07 69.52 Favored 'General case' 0 N--CA 1.433 -1.297 0 C-N-CA 118.085 -1.446 . . . . 0.0 108.306 178.703 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.891 ' O ' HG23 ' B' ' 39' ' ' THR . 97.3 mt-10 -75.05 -40.1 60.55 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 179.269 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.742 ' O ' HD23 ' B' ' 36' ' ' LEU . 4.2 tt -64.97 -45.13 86.95 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 119.805 -0.758 . . . . 0.0 110.961 -177.594 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.565 ' O ' ' O ' ' B' ' 41' ' ' LEU . 1.7 mm? -64.54 -43.58 93.55 Favored 'General case' 0 C--N 1.343 0.287 0 C-N-CA 118.937 -1.105 . . . . 0.0 111.13 179.642 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -62.78 -38.53 90.98 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 120.212 -0.595 . . . . 0.0 111.16 179.394 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.891 HG23 ' O ' ' B' ' 35' ' ' GLU . 63.6 p -71.16 -33.26 69.86 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.53 -0.468 . . . . 0.0 111.33 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -102.21 -60.63 1.51 Allowed 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 -179.299 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.565 ' O ' ' O ' ' B' ' 37' ' ' LEU . 51.9 mt -98.63 141.29 31.64 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.306 0.574 . . . . 0.0 111.805 -178.827 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 4.3 t -114.38 -57.92 2.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.457 179.501 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.55 -39.74 93.59 Favored Glycine 0 CA--C 1.531 1.052 0 CA-C-N 116.044 -0.526 . . . . 0.0 113.969 -178.194 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -62.78 -53.02 60.67 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 117.935 0.868 . . . . 0.0 112.564 -178.151 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -73.42 -39.39 65.05 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 120.368 -0.533 . . . . 0.0 111.695 178.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -60.7 -30.35 69.9 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.485 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.27 -29.7 61.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.072 -0.513 . . . . 0.0 112.0 -177.319 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 89.7 mm-40 -91.9 118.65 30.93 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 119.43 -0.908 . . . . 0.0 109.974 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 64.5 tttt -62.97 -39.41 94.62 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 113.918 1.081 . . . . 0.0 113.918 -178.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -69.7 142.5 53.33 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 -177.257 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 4.4 m -73.41 -27.28 23.4 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.127 178.344 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -76.3 -1.82 28.54 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.106 -0.952 . . . . 0.0 109.411 179.289 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.549 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -56.38 -37.31 69.92 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.97 -179.277 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.603 HG13 ' N ' ' B' ' 55' ' ' ASP . 7.2 p -60.0 -43.92 93.57 Favored 'Isoleucine or valine' 0 C--O 1.241 0.612 0 C-N-CA 120.005 -0.678 . . . . 0.0 110.007 178.719 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.603 ' N ' HG13 ' B' ' 54' ' ' VAL . 93.9 m-20 -61.02 -41.0 95.71 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.185 178.582 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -62.13 -37.9 86.92 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.884 178.43 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.549 HG23 ' O ' ' B' ' 53' ' ' ALA . 76.3 t -65.72 -45.98 90.39 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.1 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 -178.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.541 ' CE ' ' O ' ' B' ' 67' ' ' GLY . 1.9 ptp -66.65 -34.88 78.84 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 119.271 -0.972 . . . . 0.0 113.21 -178.026 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 36.0 mmtt -58.93 -41.47 87.43 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 119.306 -0.958 . . . . 0.0 112.141 -178.078 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -66.22 -41.69 89.72 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.012 -0.675 . . . . 0.0 110.923 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 74.8 mt -69.05 -33.82 74.19 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.089 -0.959 . . . . 0.0 112.716 -179.212 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.648 ' OD2' ' N ' ' B' ' 66' ' ' ASP . 50.7 t0 -79.58 101.35 8.25 Favored 'General case' 0 C--N 1.316 -0.862 0 C-N-CA 119.767 -0.773 . . . . 0.0 112.961 -175.733 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -66.73 -46.22 76.16 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-O 122.669 1.223 . . . . 0.0 111.224 176.016 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -58.3 -33.63 69.67 Favored 'General case' 0 C--N 1.3 -1.564 0 CA-C-N 112.322 -2.217 . . . . 0.0 112.814 -177.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 84.88 16.46 65.38 Favored Glycine 0 CA--C 1.527 0.818 0 N-CA-C 108.734 -1.746 . . . . 0.0 108.734 -177.188 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.648 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 47.1 p30 -85.08 4.46 34.0 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 114.595 -0.803 . . . . 0.0 112.062 -179.083 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.624 ' N ' ' OD2' ' B' ' 62' ' ' ASP . . . 62.53 -4.2 0.71 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.677 -0.969 . . . . 0.0 110.677 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.543 ' H ' ' C ' ' B' ' 66' ' ' ASP . 82.7 tt0 -110.43 143.54 40.58 Favored 'General case' 0 C--O 1.243 0.716 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 -179.665 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 61.2 t -100.13 135.2 36.94 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.677 0 CA-C-N 116.185 -0.461 . . . . 0.0 112.058 -176.019 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.548 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 51.9 t0 -99.14 159.27 15.1 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-O 121.187 0.518 . . . . 0.0 111.293 -179.314 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.548 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 1.0 OUTLIER -50.85 -44.37 59.43 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.726 -178.834 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.432 ' HG2' HG21 ' A' ' 83' ' ' VAL . 94.2 mt-30 -61.6 -40.62 95.45 Favored 'General case' 0 C--O 1.245 0.817 0 C-N-CA 119.764 -0.774 . . . . 0.0 110.68 179.091 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.457 ' O ' HG22 ' B' ' 76' ' ' VAL . 92.3 mt-10 -64.82 -42.15 95.21 Favored 'General case' 0 C--O 1.243 0.711 0 CA-C-O 122.172 0.986 . . . . 0.0 109.998 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 74' ' ' TYR . . . . . 0.403 ' OH ' ' CD1' ' A' ' 4' ' ' LEU . 60.9 t80 -63.12 -41.02 99.25 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-N 114.78 -1.1 . . . . 0.0 109.868 178.317 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.618 HG13 ' HB1' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -60.04 -48.2 88.84 Favored 'Isoleucine or valine' 0 C--O 1.248 1.003 0 CA-C-N 113.584 -1.644 . . . . 0.0 110.063 -179.079 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.457 HG22 ' O ' ' B' ' 73' ' ' GLU . 15.3 m -67.14 -35.18 73.62 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.503 0 C-N-CA 117.789 -1.564 . . . . 0.0 109.435 178.717 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.574 ' O ' HD13 ' B' ' 81' ' ' LEU . 32.7 tp -56.33 -51.98 66.25 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 118.744 -1.182 . . . . 0.0 111.823 178.276 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 34.4 m -68.73 -36.17 73.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 118.357 -1.337 . . . . 0.0 111.932 -178.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.711 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . . . -68.73 -48.9 62.63 Favored 'General case' 0 C--O 1.25 1.126 0 C-N-CA 118.922 -1.111 . . . . 0.0 112.041 -179.43 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.8 -40.39 97.19 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.574 HD13 ' O ' ' B' ' 77' ' ' LEU . 10.5 mp -65.36 -34.02 77.34 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 119.146 -1.022 . . . . 0.0 109.853 176.718 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 44.3 m -62.69 -50.06 72.65 Favored 'General case' 0 C--O 1.246 0.895 0 C-N-CA 119.638 -0.825 . . . . 0.0 111.21 179.488 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.423 HG21 ' HG2' ' A' ' 72' ' ' GLN . 14.0 p -63.61 -39.41 85.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 118.972 -1.091 . . . . 0.0 110.612 178.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.43 ' O ' ' CD2' ' B' ' 88' ' ' PHE . . . -64.76 -33.79 76.81 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 121.075 0.464 . . . . 0.0 109.78 178.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 47.6 t -63.39 -54.23 39.99 Favored 'General case' 0 CA--C 1.507 -0.679 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.208 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -55.8 -40.48 72.79 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 118.451 -1.3 . . . . 0.0 108.631 178.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 87' ' ' ASN . . . . . 0.674 ' O ' ' HB2' ' B' ' 91' ' ' GLU . 41.2 m-20 -59.89 -41.97 92.78 Favored 'General case' 0 C--O 1.202 -1.43 0 C-N-CA 120.166 -0.614 . . . . 0.0 110.586 178.544 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.531 ' O ' ' O ' ' B' ' 91' ' ' GLU . 76.4 m-85 -66.75 -35.37 79.94 Favored 'General case' 0 C--N 1.309 -1.163 0 C-N-CA 117.199 -1.801 . . . . 0.0 110.745 178.673 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -64.7 -61.61 2.09 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 119.693 -0.803 . . . . 0.0 111.846 -178.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.603 ' CG ' ' OH ' ' A' ' 26' ' ' TYR . 17.8 t-105 -69.34 -43.6 73.34 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.735 0.778 . . . . 0.0 111.462 178.759 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.674 ' HB2' ' O ' ' B' ' 87' ' ' ASN . 96.2 mt-10 -99.53 148.59 24.12 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.326 -1.306 . . . . 0.0 111.472 -178.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -104.7 137.77 42.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.517 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 3.0 m . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.018 -0.991 . . . . 0.0 110.545 179.99 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 201' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 201' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.563 ' O ' ' OE1' ' B' ' 40' ' ' GLU . . . . . . . . 0 CA--C 1.524 0.638 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.9 p -69.22 -14.55 63.03 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.611 0.243 . . . . 0.0 110.845 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -60.4 -39.33 86.96 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 -177.454 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.485 ' O ' HD23 ' A' ' 4' ' ' LEU . 5.9 tt -62.31 -41.98 98.99 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 117.85 -1.54 . . . . 0.0 107.671 -179.607 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.609 ' OE2' HD22 ' B' ' 41' ' ' LEU . 72.6 mm-40 -66.27 -36.47 83.07 Favored 'General case' 0 C--O 1.219 -0.506 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.797 177.601 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.0 m -58.55 -41.27 85.21 Favored 'General case' 0 C--O 1.237 0.433 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 179.087 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.75 -46.42 82.25 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.464 179.061 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 99.4 mtp -58.87 -40.89 85.69 Favored 'General case' 0 C--O 1.247 0.926 0 CA-C-O 121.63 0.729 . . . . 0.0 109.709 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.44 -36.02 82.66 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.168 177.713 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 52.7 m -63.68 -42.61 98.0 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 119.359 -0.936 . . . . 0.0 109.712 179.113 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 43.2 mt -61.03 -43.27 99.13 Favored 'General case' 0 C--O 1.241 0.61 0 C-N-CA 119.347 -0.941 . . . . 0.0 108.753 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.5 mt -61.51 -45.71 98.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.21 178.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -62.22 -41.63 98.56 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -178.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.9 m -73.57 -41.28 55.78 Favored 'Isoleucine or valine' 0 C--O 1.253 1.282 0 C-N-CA 119.169 -1.012 . . . . 0.0 111.383 -179.29 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -60.47 -47.94 83.95 Favored 'General case' 0 CA--C 1.509 -0.603 0 C-N-CA 119.2 -1.0 . . . . 0.0 110.027 177.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -65.21 -34.63 78.82 Favored 'General case' 0 CA--C 1.502 -0.871 0 CA-C-N 115.547 -0.752 . . . . 0.0 110.524 178.264 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.54 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . -58.28 -52.35 65.95 Favored 'General case' 0 N--CA 1.437 -1.117 0 C-N-CA 118.763 -1.175 . . . . 0.0 110.031 -178.6 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.627 ' HA ' ' HZ1' ' A' ' 21' ' ' LYS . 17.4 m-70 -78.89 -48.12 15.22 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 118.846 -1.142 . . . . 0.0 113.815 -179.682 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.3 t -59.0 -44.01 91.58 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 119.278 -0.969 . . . . 0.0 110.468 -179.306 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -73.28 -44.56 34.22 Favored Glycine 0 CA--C 1.525 0.685 0 C-N-CA 120.744 -0.741 . . . . 0.0 111.697 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.627 ' HZ1' ' HA ' ' A' ' 18' ' ' HIS . 7.5 ttpm? -59.42 -39.64 84.12 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 -179.178 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.477 ' C ' ' OE2' ' A' ' 32' ' ' GLU . 96.6 mt-10 -119.75 146.32 45.76 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 -178.404 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 51.66 -140.35 25.59 Favored Glycine 0 C--N 1.334 0.441 0 CA-C-N 114.769 -1.105 . . . . 0.0 112.582 177.355 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -70.52 146.69 50.03 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 114.952 -0.624 . . . . 0.0 110.094 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.8 mtmm -86.35 150.55 24.24 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.484 ' OH ' ' CE3' ' B' ' 90' ' ' TRP . 89.0 m-85 61.06 13.46 4.67 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.5 tptt -138.01 132.33 32.06 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 106.183 -1.784 . . . . 0.0 106.183 175.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.8 tp -110.99 128.27 55.79 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 120.069 -0.653 . . . . 0.0 110.677 -176.719 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 78.8 p -99.81 164.87 11.84 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.0 ttpt -55.41 -47.85 75.28 Favored 'General case' 0 C--O 1.241 0.657 0 C-N-CA 120.273 -0.571 . . . . 0.0 112.065 -177.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.443 ' HG3' ' N ' ' A' ' 32' ' ' GLU . 14.6 ptpt -61.87 -41.4 97.81 Favored 'General case' 0 N--CA 1.442 -0.871 0 C-N-CA 119.61 -0.836 . . . . 0.0 110.191 -178.034 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.477 ' OE2' ' C ' ' A' ' 22' ' ' GLU . 97.4 mt-10 -67.43 -46.63 72.56 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 120.124 -0.631 . . . . 0.0 112.175 -179.32 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.38 -33.65 75.15 Favored 'General case' 0 CA--C 1.5 -0.946 0 C-N-CA 118.338 -1.345 . . . . 0.0 109.046 179.554 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.528 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 0.4 OUTLIER -54.17 -37.39 64.41 Favored 'General case' 0 N--CA 1.437 -1.122 0 C-N-CA 117.938 -1.505 . . . . 0.0 108.029 178.029 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.672 ' O ' HG23 ' A' ' 39' ' ' THR . 77.5 mm-40 -75.52 -42.93 51.36 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 112.921 0.711 . . . . 0.0 112.921 179.421 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.693 ' O ' HD23 ' A' ' 36' ' ' LEU . 1.0 OUTLIER -65.27 -45.97 82.37 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 120.338 -0.545 . . . . 0.0 111.44 -177.326 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.576 ' N ' ' CD2' ' A' ' 37' ' ' LEU . 0.8 OUTLIER -64.25 -42.62 96.42 Favored 'General case' 0 CA--C 1.52 -0.184 0 C-N-CA 119.116 -1.033 . . . . 0.0 111.191 -179.747 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.528 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 27.4 mt-30 -65.0 -39.54 93.6 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.317 -0.553 . . . . 0.0 112.069 179.504 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.672 HG23 ' O ' ' A' ' 35' ' ' GLU . 82.6 p -70.29 -40.03 74.52 Favored 'General case' 0 CA--C 1.523 -0.064 0 C-N-CA 119.676 -0.81 . . . . 0.0 111.707 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.564 ' OE1' ' O ' ' B' ' 1' ' ' GLY . 81.2 mm-40 -89.65 -47.48 7.92 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.397 -0.521 . . . . 0.0 111.287 179.186 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.6 HD22 ' OE2' ' B' ' 5' ' ' GLU . 29.4 mt -107.8 141.98 38.53 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 121.144 0.497 . . . . 0.0 111.433 -179.436 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.4 m -112.5 -68.55 0.92 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.384 178.59 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.87 -37.41 90.66 Favored Glycine 0 CA--C 1.533 1.172 0 CA-C-N 115.506 -0.77 . . . . 0.0 114.263 -178.616 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -59.79 -53.74 54.44 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 118.203 1.001 . . . . 0.0 112.565 -177.672 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -75.6 -38.8 58.75 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 120.343 -0.543 . . . . 0.0 111.216 178.393 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -60.58 -28.85 68.8 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.404 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.2 -28.6 54.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.147 -0.479 . . . . 0.0 112.095 -177.212 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 90.4 mm-40 -88.82 120.59 30.37 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 119.341 -0.944 . . . . 0.0 109.842 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -63.04 -36.06 82.31 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 113.75 1.018 . . . . 0.0 113.75 -179.059 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -70.01 142.01 52.83 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -177.714 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.4 m -74.13 -27.95 22.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.526 178.624 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -82.38 3.23 28.75 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 115.322 -0.853 . . . . 0.0 109.621 179.55 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.444 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -57.09 -38.03 72.76 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.27 -179.356 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.596 HG13 ' N ' ' A' ' 55' ' ' ASP . 8.7 p -60.53 -42.85 92.96 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 C-N-CA 119.807 -0.757 . . . . 0.0 109.951 178.745 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.596 ' N ' HG13 ' A' ' 54' ' ' VAL . 56.2 t0 -61.42 -42.28 98.49 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 179.131 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 44.4 mttm -61.97 -39.6 92.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.747 179.129 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 53' ' ' ALA . 79.6 t -65.92 -45.7 90.41 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.119 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -179.298 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.6 ppp? -65.96 -33.96 77.0 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 -177.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 29.2 mmtm -60.05 -39.75 87.03 Favored 'General case' 0 CA--C 1.52 -0.19 0 C-N-CA 119.022 -1.071 . . . . 0.0 110.33 179.706 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -64.14 -39.58 94.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.176 0.512 . . . . 0.0 110.665 178.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.435 ' O ' ' OE1' ' A' ' 73' ' ' GLU . 75.8 mt -68.09 -35.39 78.09 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-N 115.466 -0.788 . . . . 0.0 112.313 -179.26 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.463 ' CG ' ' H ' ' A' ' 65' ' ' GLY . 44.5 t0 -71.48 73.15 0.73 Allowed 'General case' 0 N--CA 1.446 -0.668 0 C-N-CA 118.521 -1.271 . . . . 0.0 110.487 -178.352 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -63.66 -38.09 89.82 Favored 'General case' 0 CA--C 1.498 -1.041 0 N-CA-C 106.959 -1.497 . . . . 0.0 106.959 176.164 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.482 ' OD1' ' OD2' ' A' ' 66' ' ' ASP . 17.4 t-20 -58.12 -39.7 79.35 Favored 'General case' 0 N--CA 1.43 -1.47 0 CA-C-N 111.617 -2.538 . . . . 0.0 111.34 178.553 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.463 ' H ' ' CG ' ' A' ' 62' ' ' ASP . . . 79.79 19.66 70.07 Favored Glycine 0 CA--C 1.53 0.97 0 C-N-CA 121.469 -0.396 . . . . 0.0 112.803 178.143 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.491 ' O ' ' OE1' ' A' ' 68' ' ' GLU . 54.0 p30 -89.37 2.37 54.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 117.539 0.67 . . . . 0.0 112.649 -179.654 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 88.32 -5.11 85.14 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.38 -1.088 . . . . 0.0 110.38 179.071 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.491 ' OE1' ' O ' ' A' ' 66' ' ' ASP . 53.7 mp0 -121.21 160.42 23.87 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.005 -0.597 . . . . 0.0 110.629 179.335 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.41 ' HA ' ' OE1' ' A' ' 73' ' ' GLU . 38.5 t -104.68 129.57 56.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 105.625 -1.991 . . . . 0.0 105.625 176.326 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.511 ' C ' ' OD1' ' A' ' 70' ' ' ASP . 16.8 p30 -100.62 170.93 8.03 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 119.307 -0.957 . . . . 0.0 110.547 -177.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -53.55 -44.84 69.59 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.934 -178.48 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -61.77 -40.29 94.65 Favored 'General case' 0 C--O 1.242 0.707 0 C-N-CA 120.165 -0.614 . . . . 0.0 111.706 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.474 ' O ' HG22 ' A' ' 76' ' ' VAL . 77.5 mt-10 -64.57 -42.84 95.39 Favored 'General case' 0 C--O 1.242 0.69 0 CA-C-O 122.291 1.043 . . . . 0.0 109.689 179.741 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 69.5 t80 -63.25 -41.24 99.04 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-N 114.448 -1.251 . . . . 0.0 110.173 178.617 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.617 HG13 ' HB1' ' B' ' 79' ' ' ALA . 0.5 OUTLIER -59.91 -47.63 90.86 Favored 'Isoleucine or valine' 0 C--O 1.247 0.958 0 CA-C-N 113.75 -1.568 . . . . 0.0 110.054 -179.018 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.474 HG22 ' O ' ' A' ' 73' ' ' GLU . 16.4 m -67.45 -35.1 72.42 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 C-N-CA 117.875 -1.53 . . . . 0.0 109.323 178.769 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.579 ' O ' HD13 ' A' ' 81' ' ' LEU . 30.6 tp -56.92 -50.39 72.72 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 118.741 -1.184 . . . . 0.0 111.857 178.245 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 35.6 m -68.98 -35.93 71.5 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 C-N-CA 118.606 -1.238 . . . . 0.0 111.676 -179.263 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.726 ' HB2' ' HB2' ' B' ' 79' ' ' ALA . . . -68.42 -48.59 64.24 Favored 'General case' 0 C--O 1.248 0.998 0 C-N-CA 119.081 -1.047 . . . . 0.0 111.805 -179.494 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.24 -39.57 94.99 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.579 HD13 ' O ' ' A' ' 77' ' ' LEU . 9.2 mp -65.08 -34.47 78.5 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 119.376 -0.93 . . . . 0.0 109.733 176.694 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 37.1 m -63.43 -50.21 70.68 Favored 'General case' 0 C--O 1.247 0.948 0 C-N-CA 119.823 -0.751 . . . . 0.0 111.441 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.9 p -63.3 -38.81 83.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 C-N-CA 119.144 -1.022 . . . . 0.0 110.582 178.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.42 ' O ' ' CD2' ' A' ' 88' ' ' PHE . . . -65.27 -35.36 80.79 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 120.326 -0.549 . . . . 0.0 109.926 178.746 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 9.1 t -61.71 -54.99 35.16 Favored 'General case' 0 CA--C 1.507 -0.677 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.259 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 33.8 t30 -56.87 -39.0 73.53 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 118.797 -1.161 . . . . 0.0 108.972 178.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 34.8 t30 -57.77 -41.65 82.45 Favored 'General case' 0 C--O 1.219 -0.512 0 C-N-CA 120.127 -0.629 . . . . 0.0 110.43 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.446 ' O ' ' CB ' ' A' ' 92' ' ' ASN . 70.5 m-85 -67.99 -41.0 82.96 Favored 'General case' 0 C--O 1.226 -0.134 0 C-N-CA 119.546 -0.861 . . . . 0.0 110.867 178.819 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -58.78 -45.41 89.9 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.282 -0.567 . . . . 0.0 111.477 -179.086 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.547 ' CD1' ' C ' ' A' ' 90' ' ' TRP . 16.1 t-105 -85.65 -58.51 2.63 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 -179.491 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.453 ' OE1' ' C ' ' A' ' 91' ' ' GLU . 7.6 tm-20 -61.35 -37.16 82.32 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 113.407 0.892 . . . . 0.0 113.407 -176.744 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.446 ' CB ' ' O ' ' A' ' 88' ' ' PHE . 53.4 t-20 -56.99 -36.7 70.68 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 119.91 -0.716 . . . . 0.0 110.657 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 32.3 t . . . . . 0 C--O 1.219 -0.52 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.476 -179.927 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' GLY . . . . . 0.564 ' O ' ' OE1' ' A' ' 40' ' ' GLU . . . . . . . . 0 CA--C 1.524 0.639 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 82.7 p -69.2 -14.57 63.05 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.679 -0.261 . . . . 0.0 110.874 179.65 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -60.4 -39.26 86.7 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 -177.385 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.489 ' O ' HD23 ' B' ' 4' ' ' LEU . 5.9 tt -62.32 -42.05 99.05 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 117.913 -1.515 . . . . 0.0 107.642 -179.62 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.6 ' OE2' HD22 ' A' ' 41' ' ' LEU . 72.7 mm-40 -66.24 -36.56 83.32 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.825 177.565 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 43.6 m -58.5 -41.09 84.56 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 179.006 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.04 -46.3 81.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.416 179.099 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 99.3 mtp -58.91 -40.87 85.8 Favored 'General case' 0 C--O 1.246 0.897 0 CA-C-O 121.635 0.731 . . . . 0.0 109.824 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.36 -36.84 85.24 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.04 177.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 48.7 m -62.75 -42.9 99.89 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 119.375 -0.93 . . . . 0.0 109.901 178.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 49.1 mt -61.14 -43.05 99.49 Favored 'General case' 0 C--O 1.241 0.64 0 C-N-CA 119.283 -0.967 . . . . 0.0 108.797 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.4 mt -61.58 -45.5 98.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.344 178.639 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -62.36 -41.58 98.72 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -178.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 14.6 m -73.53 -41.29 56.06 Favored 'Isoleucine or valine' 0 C--O 1.253 1.246 0 C-N-CA 119.26 -0.976 . . . . 0.0 111.411 -179.364 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -60.55 -48.0 83.72 Favored 'General case' 0 CA--C 1.509 -0.618 0 C-N-CA 119.156 -1.018 . . . . 0.0 109.984 177.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -65.15 -34.63 78.85 Favored 'General case' 0 CA--C 1.503 -0.859 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.436 178.292 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.545 ' O ' ' CB ' ' B' ' 21' ' ' LYS . . . -58.3 -52.38 65.82 Favored 'General case' 0 N--CA 1.436 -1.147 0 C-N-CA 118.76 -1.176 . . . . 0.0 110.078 -178.62 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.607 ' HA ' ' HZ3' ' B' ' 21' ' ' LYS . 17.3 m-70 -78.82 -48.13 15.35 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 118.855 -1.138 . . . . 0.0 113.896 -179.728 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 41.8 t -59.1 -43.89 91.9 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 119.248 -0.981 . . . . 0.0 110.53 -179.367 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -73.31 -44.62 33.77 Favored Glycine 0 CA--C 1.526 0.735 0 C-N-CA 120.831 -0.699 . . . . 0.0 111.647 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.607 ' HZ3' ' HA ' ' B' ' 18' ' ' HIS . 7.5 ttpm? -59.41 -39.62 84.01 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 -179.178 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.48 ' C ' ' OE2' ' B' ' 32' ' ' GLU . 96.7 mt-10 -119.75 146.36 45.72 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 -178.426 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 51.63 -140.23 25.71 Favored Glycine 0 CA--C 1.521 0.45 0 CA-C-N 114.891 -1.05 . . . . 0.0 112.693 177.424 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -70.69 146.7 49.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 114.956 -0.622 . . . . 0.0 110.046 179.602 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 26.8 mtmm -86.26 150.45 24.35 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.521 ' OH ' ' CE3' ' A' ' 90' ' ' TRP . 89.1 m-85 61.18 13.37 4.73 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.2 tptt -138.0 132.49 32.33 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 106.153 -1.795 . . . . 0.0 106.153 175.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 15.8 tp -111.14 128.17 55.81 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 120.077 -0.649 . . . . 0.0 110.714 -176.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 78.7 p -99.75 164.9 11.84 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 17.0 ttpt -55.46 -47.9 75.36 Favored 'General case' 0 C--O 1.242 0.695 0 C-N-CA 120.203 -0.599 . . . . 0.0 112.071 -177.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.439 ' HG3' ' N ' ' B' ' 32' ' ' GLU . 14.6 ptpt -61.69 -41.48 97.64 Favored 'General case' 0 N--CA 1.442 -0.85 0 C-N-CA 119.671 -0.812 . . . . 0.0 110.266 -178.104 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.48 ' OE2' ' C ' ' B' ' 22' ' ' GLU . 97.3 mt-10 -67.39 -46.64 72.66 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 120.228 -0.589 . . . . 0.0 112.204 -179.335 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.39 -33.58 75.03 Favored 'General case' 0 CA--C 1.5 -0.956 0 C-N-CA 118.346 -1.342 . . . . 0.0 109.121 179.498 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.535 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 0.4 OUTLIER -54.33 -37.39 64.81 Favored 'General case' 0 N--CA 1.437 -1.088 0 C-N-CA 117.897 -1.521 . . . . 0.0 107.944 178.08 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.683 ' O ' HG23 ' B' ' 39' ' ' THR . 77.4 mm-40 -75.56 -42.83 51.24 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 179.424 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.695 ' O ' HD23 ' B' ' 36' ' ' LEU . 1.1 tt -65.21 -45.95 82.65 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 120.37 -0.532 . . . . 0.0 111.539 -177.413 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.581 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 0.8 OUTLIER -64.3 -42.59 96.28 Favored 'General case' 0 CA--C 1.521 -0.142 0 C-N-CA 119.098 -1.041 . . . . 0.0 111.211 -179.798 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.535 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 27.4 mt-30 -64.96 -39.56 93.68 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.3 -0.56 . . . . 0.0 112.072 179.416 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.683 HG23 ' O ' ' B' ' 35' ' ' GLU . 82.8 p -70.27 -40.08 74.57 Favored 'General case' 0 C--N 1.334 -0.096 0 C-N-CA 119.65 -0.82 . . . . 0.0 111.685 -179.748 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.563 ' OE1' ' O ' ' A' ' 1' ' ' GLY . 81.2 mm-40 -89.6 -47.51 7.91 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.365 -0.534 . . . . 0.0 111.278 179.2 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.609 HD22 ' OE2' ' A' ' 5' ' ' GLU . 29.4 mt -107.83 142.05 38.47 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 121.191 0.52 . . . . 0.0 111.458 -179.436 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 3.4 m -112.51 -68.67 0.91 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.395 178.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.81 -37.46 90.4 Favored Glycine 0 CA--C 1.533 1.188 0 CA-C-N 115.448 -0.796 . . . . 0.0 114.243 -178.665 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -59.75 -53.79 53.9 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 118.194 0.997 . . . . 0.0 112.523 -177.647 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -75.67 -38.7 58.52 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 120.279 -0.568 . . . . 0.0 111.201 178.47 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -60.52 -28.84 68.71 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.506 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.26 -28.63 54.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 0.0 112.096 -177.207 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 90.4 mm-40 -88.72 120.56 30.23 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 119.369 -0.933 . . . . 0.0 109.793 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -63.0 -36.15 82.58 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -179.093 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -70.03 142.07 52.79 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -177.642 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 4.3 m -74.21 -27.93 22.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.536 178.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -82.35 3.22 28.7 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.673 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.438 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -57.01 -38.14 72.68 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.257 -179.391 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.59 HG13 ' N ' ' B' ' 55' ' ' ASP . 8.8 p -60.5 -42.83 92.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 C-N-CA 119.796 -0.761 . . . . 0.0 109.949 178.803 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.59 ' N ' HG13 ' B' ' 54' ' ' VAL . 56.1 t0 -61.46 -42.24 98.47 Favored 'General case' 0 N--CA 1.447 -0.575 0 C-N-CA 120.1 -0.64 . . . . 0.0 109.32 179.105 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 44.4 mttm -62.0 -39.54 92.57 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.814 179.104 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.438 HG23 ' O ' ' B' ' 53' ' ' ALA . 79.7 t -65.88 -45.77 90.35 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.072 0 N-CA-C 112.338 0.495 . . . . 0.0 112.338 -179.351 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 2.6 ppp? -65.9 -34.03 77.19 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 -177.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 29.3 mmtm -59.93 -39.84 86.84 Favored 'General case' 0 CA--C 1.52 -0.19 0 C-N-CA 119.09 -1.044 . . . . 0.0 110.373 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -64.11 -39.66 94.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.151 0.501 . . . . 0.0 110.599 178.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.439 ' O ' ' OE1' ' B' ' 73' ' ' GLU . 76.1 mt -68.08 -35.27 77.9 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-N 115.466 -0.788 . . . . 0.0 112.397 -179.206 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.469 ' CG ' ' H ' ' B' ' 65' ' ' GLY . 44.6 t0 -71.62 73.28 0.78 Allowed 'General case' 0 N--CA 1.447 -0.622 0 C-N-CA 118.346 -1.342 . . . . 0.0 110.479 -178.387 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' B' ' 61' ' ' LEU . 87.5 tt0 -63.59 -38.15 90.02 Favored 'General case' 0 CA--C 1.497 -1.086 0 N-CA-C 107.016 -1.476 . . . . 0.0 107.016 176.118 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.477 ' OD1' ' OD2' ' B' ' 66' ' ' ASP . 17.5 t-20 -58.22 -39.63 79.56 Favored 'General case' 0 N--CA 1.43 -1.47 0 CA-C-N 111.531 -2.577 . . . . 0.0 111.284 178.661 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.469 ' H ' ' CG ' ' B' ' 62' ' ' ASP . . . 79.82 19.59 70.13 Favored Glycine 0 CA--C 1.531 1.041 0 C-N-CA 121.4 -0.429 . . . . 0.0 112.825 178.088 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.493 ' O ' ' OE1' ' B' ' 68' ' ' GLU . 54.0 p30 -89.34 2.37 54.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 117.467 0.633 . . . . 0.0 112.679 -179.643 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 88.3 -5.02 85.26 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.369 -1.092 . . . . 0.0 110.369 179.092 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.493 ' OE1' ' O ' ' B' ' 66' ' ' ASP . 53.8 mp0 -121.34 160.32 24.26 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.029 -0.585 . . . . 0.0 110.632 179.368 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.401 ' HA ' ' OE1' ' B' ' 73' ' ' GLU . 38.7 t -104.59 129.65 56.73 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.609 0 N-CA-C 105.8 -1.926 . . . . 0.0 105.8 176.276 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.513 ' OD1' ' C ' ' B' ' 70' ' ' ASP . 17.8 p30 -100.51 170.91 8.06 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 119.336 -0.946 . . . . 0.0 110.565 -177.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -53.57 -44.88 69.68 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.927 -178.541 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -61.71 -40.25 94.36 Favored 'General case' 0 C--O 1.243 0.727 0 C-N-CA 120.063 -0.655 . . . . 0.0 111.836 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.465 ' O ' HG22 ' B' ' 76' ' ' VAL . 77.5 mt-10 -64.55 -42.8 95.47 Favored 'General case' 0 C--O 1.243 0.734 0 CA-C-O 122.358 1.075 . . . . 0.0 109.701 179.66 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 69.8 t80 -63.44 -41.08 98.66 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-N 114.476 -1.238 . . . . 0.0 110.155 178.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.611 HG13 ' HB1' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -60.04 -47.54 91.41 Favored 'Isoleucine or valine' 0 C--O 1.247 0.956 0 CA-C-N 113.797 -1.547 . . . . 0.0 110.031 -179.012 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.465 HG22 ' O ' ' B' ' 73' ' ' GLU . 16.3 m -67.48 -35.07 72.18 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.56 0 C-N-CA 117.929 -1.509 . . . . 0.0 109.348 178.699 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.578 ' O ' HD13 ' B' ' 81' ' ' LEU . 30.8 tp -56.95 -50.44 72.61 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 118.872 -1.131 . . . . 0.0 111.754 178.215 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 35.8 m -69.05 -35.91 71.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 118.558 -1.257 . . . . 0.0 111.665 -179.226 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.726 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . . . -68.38 -48.48 64.6 Favored 'General case' 0 C--O 1.248 0.981 0 C-N-CA 119.043 -1.063 . . . . 0.0 111.918 -179.603 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.21 -39.66 95.28 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 179.573 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.578 HD13 ' O ' ' B' ' 77' ' ' LEU . 9.2 mp -64.92 -34.63 78.86 Favored 'General case' 0 N--CA 1.447 -0.59 0 C-N-CA 119.321 -0.951 . . . . 0.0 109.839 176.605 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 37.5 m -63.33 -50.28 70.65 Favored 'General case' 0 C--O 1.246 0.877 0 C-N-CA 119.828 -0.749 . . . . 0.0 111.374 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 13.8 p -63.26 -38.77 83.0 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 C-N-CA 119.118 -1.033 . . . . 0.0 110.63 178.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.41 ' O ' ' CD2' ' B' ' 88' ' ' PHE . . . -65.34 -35.24 80.39 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 120.348 -0.541 . . . . 0.0 109.863 178.734 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 9.2 t -61.77 -54.91 36.0 Favored 'General case' 0 CA--C 1.507 -0.696 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.357 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 33.6 t30 -56.91 -39.0 73.63 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 118.724 -1.19 . . . . 0.0 108.989 178.608 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 34.8 t30 -57.82 -41.54 82.47 Favored 'General case' 0 C--O 1.22 -0.455 0 C-N-CA 120.03 -0.668 . . . . 0.0 110.443 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.451 ' O ' ' CB ' ' B' ' 92' ' ' ASN . 70.7 m-85 -68.04 -41.04 82.7 Favored 'General case' 0 C--N 1.333 -0.122 0 C-N-CA 119.639 -0.824 . . . . 0.0 110.834 178.809 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -58.78 -45.28 90.2 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.245 -0.582 . . . . 0.0 111.582 -179.092 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.55 ' C ' ' CD1' ' B' ' 90' ' ' TRP . 16.0 t-105 -85.8 -58.34 2.69 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 -179.559 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.447 ' C ' ' OE1' ' B' ' 91' ' ' GLU . 7.6 tm-20 -61.48 -37.03 82.15 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 113.481 0.919 . . . . 0.0 113.481 -176.778 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 92' ' ' ASN . . . . . 0.451 ' CB ' ' O ' ' B' ' 88' ' ' PHE . 53.4 t-20 -57.09 -36.61 70.81 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 119.9 -0.72 . . . . 0.0 110.622 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 33.1 t . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.542 -179.951 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 201' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 201' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.703 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.537 ' CB ' ' O ' ' B' ' 40' ' ' GLU . 48.5 t -118.3 139.03 51.95 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.788 0.328 . . . . 0.0 110.689 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.45 -39.44 93.83 Favored 'General case' 0 C--O 1.236 0.352 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 -179.404 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.711 ' O ' HD23 ' A' ' 4' ' ' LEU . 5.0 tt -63.77 -41.98 97.88 Favored 'General case' 0 C--O 1.242 0.682 0 C-N-CA 119.251 -0.98 . . . . 0.0 109.028 -178.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.456 ' OE1' ' C ' ' A' ' 5' ' ' GLU . 8.6 tm-20 -63.72 -39.2 93.7 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 114.772 -1.104 . . . . 0.0 109.06 179.275 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.6 m -60.2 -40.29 89.55 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.126 178.585 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.31 -44.15 95.79 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.137 179.451 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 98.7 mtp -59.22 -41.07 87.78 Favored 'General case' 0 C--O 1.249 1.054 0 CA-C-O 121.857 0.837 . . . . 0.0 109.445 178.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -64.99 -35.71 82.06 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.084 178.247 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 51.0 m -64.47 -43.47 94.08 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 119.731 -0.788 . . . . 0.0 110.224 179.553 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 38.1 mt -61.69 -42.74 99.34 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 119.232 -0.987 . . . . 0.0 108.803 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.4 mt -62.12 -45.68 98.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 C-N-CA 119.775 -0.77 . . . . 0.0 111.586 178.688 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -61.83 -41.57 97.96 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -178.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.4 m -73.94 -41.13 53.18 Favored 'Isoleucine or valine' 0 C--O 1.255 1.344 0 C-N-CA 119.289 -0.965 . . . . 0.0 111.437 -179.303 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -60.51 -47.93 83.98 Favored 'General case' 0 CA--C 1.513 -0.481 0 C-N-CA 119.254 -0.978 . . . . 0.0 109.757 177.522 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -63.94 -34.88 78.97 Favored 'General case' 0 CA--C 1.502 -0.878 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.974 178.064 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.536 ' O ' ' HB2' ' A' ' 21' ' ' LYS . . . -57.58 -51.91 67.56 Favored 'General case' 0 N--CA 1.434 -1.23 0 C-N-CA 118.587 -1.245 . . . . 0.0 109.527 -178.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.502 ' CD2' ' HG ' ' A' ' 36' ' ' LEU . 35.9 m-70 -79.25 -52.12 8.55 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 114.582 1.327 . . . . 0.0 114.582 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.45 ' OG ' ' O ' ' A' ' 25' ' ' LYS . 22.9 t -58.07 -40.77 81.85 Favored 'General case' 0 C--N 1.34 0.182 0 C-N-CA 118.78 -1.168 . . . . 0.0 108.919 -179.213 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.33 -44.0 67.58 Favored Glycine 0 C--N 1.343 0.928 0 CA-C-N 115.347 -0.842 . . . . 0.0 112.139 178.467 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.536 ' HB2' ' O ' ' A' ' 17' ' ' ALA . 6.2 ttpm? -59.4 -42.26 91.33 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 120.23 -0.588 . . . . 0.0 112.0 -179.372 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.445 ' C ' ' OE2' ' A' ' 32' ' ' GLU . 97.3 mt-10 -129.33 152.08 49.28 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 112.778 0.659 . . . . 0.0 112.778 179.771 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.12 -148.78 28.01 Favored Glycine 0 CA--C 1.523 0.592 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.317 177.743 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -71.15 139.77 50.34 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 179.3 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.45 ' O ' ' OG ' ' A' ' 19' ' ' SER . 7.5 mtmp? -61.41 -32.56 72.51 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.727 -0.67 . . . . 0.0 112.761 -178.173 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.591 ' OH ' ' CD2' ' B' ' 90' ' ' TRP . 99.0 m-85 -106.39 19.57 20.3 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 113.094 0.776 . . . . 0.0 113.094 -177.661 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.2 tptt -138.87 137.17 36.3 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 119.215 -0.994 . . . . 0.0 108.569 178.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.7 tp -110.13 130.19 55.58 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.552 -0.459 . . . . 0.0 109.806 -177.68 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.4 t -100.61 162.67 12.77 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.879 -178.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.3 ttpt -52.19 -47.31 65.63 Favored 'General case' 0 C--O 1.24 0.568 0 CA-C-O 121.239 0.543 . . . . 0.0 111.404 -178.402 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.598 ' HG3' ' N ' ' A' ' 32' ' ' GLU . 25.4 pttm -60.1 -48.44 81.7 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.958 -178.752 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.598 ' N ' ' HG3' ' A' ' 31' ' ' LYS . 93.9 mt-10 -63.61 -51.31 65.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.65 -0.704 . . . . 0.0 112.301 -178.181 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.9 pp -60.26 -36.52 77.98 Favored 'General case' 0 CA--C 1.501 -0.92 0 C-N-CA 119.223 -0.991 . . . . 0.0 110.678 -179.014 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.9 tptp -56.16 -36.72 68.62 Favored 'General case' 0 N--CA 1.436 -1.163 0 C-N-CA 117.912 -1.515 . . . . 0.0 107.983 178.407 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.829 ' O ' HG23 ' A' ' 39' ' ' THR . 96.8 mt-10 -74.98 -40.33 60.76 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 179.618 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.741 ' O ' HD23 ' A' ' 36' ' ' LEU . 4.0 tt -65.5 -45.43 83.61 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 120.174 -0.61 . . . . 0.0 111.058 -177.452 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.558 ' O ' ' O ' ' A' ' 41' ' ' LEU . 1.3 mm? -64.34 -44.06 92.65 Favored 'General case' 0 N--CA 1.463 0.195 0 C-N-CA 119.084 -1.046 . . . . 0.0 111.148 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -63.87 -39.41 94.13 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.454 -0.498 . . . . 0.0 111.876 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.829 HG23 ' O ' ' A' ' 35' ' ' GLU . 61.8 p -72.49 -33.01 66.66 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.688 -0.405 . . . . 0.0 111.737 -179.576 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.539 ' O ' ' CB ' ' B' ' 2' ' ' SER . 75.9 mm-40 -100.86 -59.06 1.77 Allowed 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 113.239 0.829 . . . . 0.0 113.239 -179.095 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.558 ' O ' ' O ' ' A' ' 37' ' ' LEU . 56.8 mt -98.65 140.82 32.29 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 120.39 -0.524 . . . . 0.0 111.481 -179.337 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -110.69 -60.77 1.77 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.526 179.596 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.49 -39.52 93.17 Favored Glycine 0 CA--C 1.531 1.09 0 N-CA-C 114.58 0.592 . . . . 0.0 114.58 -177.646 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -62.56 -53.81 49.14 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 118.236 1.018 . . . . 0.0 112.815 -177.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -73.97 -38.16 64.28 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 120.26 -0.576 . . . . 0.0 111.954 178.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -59.25 -30.6 68.38 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.189 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.98 -31.87 63.39 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.79 -177.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 -96.66 116.4 29.05 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 119.445 -0.902 . . . . 0.0 109.47 179.401 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -63.9 -37.26 86.73 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 -178.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -71.6 142.43 49.98 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 113.164 0.802 . . . . 0.0 113.164 -177.212 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.543 ' O ' HG12 ' A' ' 54' ' ' VAL . 5.0 m -72.03 -29.14 31.81 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.146 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 177.198 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -58.87 -24.96 62.85 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 114.279 -1.328 . . . . 0.0 109.01 177.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.502 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -52.24 -36.84 53.54 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 114.674 -1.148 . . . . 0.0 110.665 -178.138 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.573 HG13 ' N ' ' A' ' 55' ' ' ASP . 7.3 p -60.28 -43.7 94.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 C-N-CA 119.189 -1.004 . . . . 0.0 110.024 178.703 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.573 ' N ' HG13 ' A' ' 54' ' ' VAL . 91.7 m-20 -63.0 -43.94 97.39 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.415 179.58 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 57.2 mtmt -60.91 -38.31 85.26 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 119.97 -0.692 . . . . 0.0 110.345 179.292 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 53' ' ' ALA . 79.5 t -64.67 -45.78 94.29 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 120.212 -0.595 . . . . 0.0 110.592 179.331 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -70.96 -34.71 71.71 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 -179.115 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.3 mtmt -59.43 -41.13 88.85 Favored 'General case' 0 N--CA 1.462 0.167 0 C-N-CA 119.441 -0.904 . . . . 0.0 111.796 -178.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -64.14 -40.43 96.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.491 0.662 . . . . 0.0 110.349 179.151 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.472 HD11 HD22 ' A' ' 77' ' ' LEU . 80.6 mt -68.57 -33.21 73.68 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.919 -1.037 . . . . 0.0 112.57 -179.619 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -72.89 85.99 1.27 Allowed 'General case' 0 N--CA 1.445 -0.678 0 C-N-CA 118.96 -1.096 . . . . 0.0 111.027 -177.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -63.21 -47.22 83.47 Favored 'General case' 0 CA--C 1.505 -0.769 0 CA-C-O 122.515 1.15 . . . . 0.0 111.04 176.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -59.2 -35.58 73.86 Favored 'General case' 0 C--N 1.3 -1.579 0 CA-C-N 112.758 -2.019 . . . . 0.0 111.358 -179.1 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.5 18.54 70.78 Favored Glycine 0 CA--C 1.52 0.379 0 N-CA-C 108.252 -1.939 . . . . 0.0 108.252 -177.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.526 ' O ' ' OE1' ' A' ' 68' ' ' GLU . 24.0 p-10 -86.41 1.5 51.05 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 -178.449 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 82.84 1.51 90.6 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 178.509 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.526 ' OE1' ' O ' ' A' ' 66' ' ' ASP . 52.7 mp0 -120.11 155.87 32.15 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-O 121.507 0.67 . . . . 0.0 112.243 179.629 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 48.7 t -108.26 132.05 57.1 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.485 0 N-CA-C 107.545 -1.279 . . . . 0.0 107.545 176.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.55 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 52.1 t0 -101.89 159.99 14.87 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.125 0.488 . . . . 0.0 111.451 -178.132 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.55 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 1.0 OUTLIER -50.16 -43.79 52.34 Favored 'General case' 0 C--O 1.217 -0.611 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.234 -178.584 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.407 ' HG2' HG21 ' B' ' 83' ' ' VAL . 94.0 mt-30 -61.76 -40.5 95.35 Favored 'General case' 0 C--O 1.246 0.874 0 C-N-CA 119.601 -0.84 . . . . 0.0 110.711 178.814 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.451 ' O ' HG22 ' A' ' 76' ' ' VAL . 86.2 mt-10 -64.72 -41.92 95.62 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-O 122.207 1.003 . . . . 0.0 109.779 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -63.49 -40.82 98.09 Favored 'General case' 0 C--O 1.24 0.587 0 CA-C-N 114.671 -1.15 . . . . 0.0 110.02 178.681 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.615 HG13 ' HB1' ' B' ' 79' ' ' ALA . 0.5 OUTLIER -60.72 -48.2 89.75 Favored 'Isoleucine or valine' 0 C--O 1.247 0.929 0 CA-C-N 113.72 -1.582 . . . . 0.0 109.974 -179.072 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.451 HG22 ' O ' ' A' ' 73' ' ' GLU . 14.6 m -67.48 -34.49 68.85 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 C-N-CA 117.811 -1.556 . . . . 0.0 109.26 178.625 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.472 HD22 HD11 ' A' ' 61' ' ' LEU . 51.6 tp -56.14 -52.98 62.4 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 119.164 -1.014 . . . . 0.0 112.286 178.344 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 34.3 m -69.84 -35.74 66.36 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.242 0 C-N-CA 118.737 -1.185 . . . . 0.0 111.868 -178.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.658 ' HB2' ' HB2' ' B' ' 79' ' ' ALA . . . -68.67 -47.96 65.18 Favored 'General case' 0 C--O 1.248 1.016 0 C-N-CA 119.05 -1.06 . . . . 0.0 111.715 -179.459 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.33 -40.14 96.5 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 179.497 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.6 mp -65.37 -34.22 77.8 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 119.258 -0.977 . . . . 0.0 109.694 176.625 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 39.5 m -62.86 -50.2 71.87 Favored 'General case' 0 C--O 1.243 0.752 0 C-N-CA 119.793 -0.763 . . . . 0.0 111.275 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.41 HG21 ' HG2' ' B' ' 72' ' ' GLN . 13.7 p -63.9 -39.02 83.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 119.15 -1.02 . . . . 0.0 110.703 178.719 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.578 ' O ' ' CD1' ' A' ' 88' ' ' PHE . . . -64.93 -31.74 73.12 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 121.17 0.51 . . . . 0.0 109.838 178.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 18.1 t -67.53 -54.08 23.1 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.7 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 35.4 t30 -56.56 -41.78 77.47 Favored 'General case' 0 C--O 1.24 0.604 0 C-N-CA 118.633 -1.227 . . . . 0.0 109.089 179.319 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -59.77 -38.24 81.28 Favored 'General case' 0 C--O 1.22 -0.455 0 C-N-CA 120.174 -0.61 . . . . 0.0 109.398 178.615 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.578 ' CD1' ' O ' ' A' ' 84' ' ' ALA . 4.7 m-30 -64.46 -41.34 96.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -66.46 -55.32 16.22 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 120.13 -0.628 . . . . 0.0 111.542 -179.328 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.607 ' CD2' ' OH ' ' B' ' 26' ' ' TYR . 23.7 t-105 -64.84 -40.11 94.64 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.321 0.582 . . . . 0.0 112.313 179.411 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.54 ' O ' ' O ' ' A' ' 88' ' ' PHE . 1.3 tm-20 -98.44 142.74 29.67 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.121 -177.654 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -55.38 -34.36 64.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.075 -179.423 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 52.9 p . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.527 -179.96 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.704 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' SER . . . . . 0.539 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 48.5 t -118.3 139.07 51.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.722 0.296 . . . . 0.0 110.698 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.42 -39.49 93.94 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 112.74 0.644 . . . . 0.0 112.74 -179.381 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.712 ' O ' HD23 ' B' ' 4' ' ' LEU . 5.0 tt -63.68 -42.05 98.09 Favored 'General case' 0 C--O 1.243 0.718 0 C-N-CA 119.316 -0.954 . . . . 0.0 109.087 -178.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.458 ' C ' ' OE1' ' B' ' 5' ' ' GLU . 8.6 tm-20 -63.72 -39.17 93.64 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 114.808 -1.087 . . . . 0.0 109.092 179.245 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 46.3 m -60.25 -40.16 89.31 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.089 178.542 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.41 -44.11 95.57 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.114 179.426 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 98.7 mtp -59.33 -41.16 88.46 Favored 'General case' 0 C--O 1.249 1.055 0 CA-C-O 121.852 0.834 . . . . 0.0 109.393 178.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -64.77 -36.59 84.8 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.008 178.28 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 49.2 m -63.58 -43.7 96.23 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 119.774 -0.77 . . . . 0.0 110.41 179.366 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 42.5 mt -61.76 -42.63 99.23 Favored 'General case' 0 C--O 1.24 0.562 0 C-N-CA 119.191 -1.004 . . . . 0.0 108.815 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.4 mt -62.1 -45.59 98.39 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.135 0 C-N-CA 119.81 -0.756 . . . . 0.0 111.651 178.633 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -61.9 -41.6 98.09 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -178.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 13.1 m -73.88 -41.16 53.59 Favored 'Isoleucine or valine' 0 C--O 1.256 1.397 0 C-N-CA 119.384 -0.926 . . . . 0.0 111.396 -179.31 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -60.53 -47.9 84.15 Favored 'General case' 0 CA--C 1.512 -0.496 0 C-N-CA 119.259 -0.976 . . . . 0.0 109.779 177.554 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -63.93 -34.93 79.09 Favored 'General case' 0 CA--C 1.501 -0.91 0 CA-C-N 115.287 -0.87 . . . . 0.0 109.882 178.033 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.528 ' O ' ' HB2' ' B' ' 21' ' ' LYS . . . -57.7 -51.84 67.88 Favored 'General case' 0 N--CA 1.435 -1.209 0 C-N-CA 118.474 -1.29 . . . . 0.0 109.561 -178.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.495 ' HB2' HD12 ' B' ' 36' ' ' LEU . 36.1 m-70 -79.04 -52.28 8.43 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 114.615 1.339 . . . . 0.0 114.615 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.453 ' OG ' ' O ' ' B' ' 25' ' ' LYS . 23.0 t -58.0 -40.84 81.75 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 118.789 -1.164 . . . . 0.0 108.979 -179.235 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.16 -44.22 67.59 Favored Glycine 0 C--N 1.342 0.904 0 CA-C-N 115.372 -0.831 . . . . 0.0 112.085 178.505 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.528 ' HB2' ' O ' ' B' ' 17' ' ' ALA . 6.2 ttpm? -59.34 -42.26 91.09 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 120.199 -0.6 . . . . 0.0 111.993 -179.248 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.446 ' C ' ' OE2' ' B' ' 32' ' ' GLU . 97.3 mt-10 -129.31 152.22 49.11 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.96 -148.7 27.51 Favored Glycine 0 CA--C 1.523 0.585 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.367 177.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -71.19 139.72 50.24 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 179.316 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.453 ' O ' ' OG ' ' B' ' 19' ' ' SER . 7.5 mtmp? -61.42 -32.5 72.46 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.766 -178.193 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.607 ' OH ' ' CD2' ' A' ' 90' ' ' TRP . 99.0 m-85 -106.33 19.6 20.26 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.11 0.782 . . . . 0.0 113.11 -177.799 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 26.9 tptt -138.74 137.25 36.57 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 119.197 -1.001 . . . . 0.0 108.643 178.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 13.7 tp -110.18 130.21 55.58 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 120.435 -0.506 . . . . 0.0 109.759 -177.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 27.7 t -100.53 162.69 12.76 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.872 -178.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 20.3 ttpt -52.19 -47.36 65.59 Favored 'General case' 0 C--O 1.24 0.585 0 CA-C-O 121.278 0.561 . . . . 0.0 111.452 -178.484 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.609 ' HG3' ' N ' ' B' ' 32' ' ' GLU . 25.4 pttm -60.12 -48.41 81.83 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.932 -178.714 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.609 ' N ' ' HG3' ' B' ' 31' ' ' LYS . 93.9 mt-10 -63.56 -51.34 65.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.253 -178.174 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.9 pp -60.33 -36.48 78.06 Favored 'General case' 0 CA--C 1.5 -0.966 0 C-N-CA 119.21 -0.996 . . . . 0.0 110.703 -178.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 10.9 tptp -56.13 -36.65 68.47 Favored 'General case' 0 N--CA 1.435 -1.193 0 C-N-CA 117.92 -1.512 . . . . 0.0 108.102 178.299 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.831 ' O ' HG23 ' B' ' 39' ' ' THR . 96.8 mt-10 -74.99 -40.38 60.73 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 179.484 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.739 ' O ' HD23 ' B' ' 36' ' ' LEU . 4.0 tt -65.55 -45.32 83.81 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 120.108 -0.637 . . . . 0.0 111.084 -177.458 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.546 ' O ' ' O ' ' B' ' 41' ' ' LEU . 1.3 mm? -64.34 -44.0 92.85 Favored 'General case' 0 C--N 1.34 0.195 0 C-N-CA 119.153 -1.019 . . . . 0.0 111.165 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -63.96 -39.46 94.18 Favored 'General case' 0 C--N 1.333 -0.138 0 C-N-CA 120.508 -0.477 . . . . 0.0 111.839 179.675 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.831 HG23 ' O ' ' B' ' 35' ' ' GLU . 61.8 p -72.39 -33.03 66.9 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.778 -179.625 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.537 ' O ' ' CB ' ' A' ' 2' ' ' SER . 75.9 mm-40 -100.87 -59.05 1.77 Allowed 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -179.059 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.546 ' O ' ' O ' ' B' ' 37' ' ' LEU . 56.4 mt -98.61 140.81 32.27 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.181 0.515 . . . . 0.0 111.498 -179.389 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -110.67 -60.69 1.78 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.648 179.495 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.51 -39.48 93.16 Favored Glycine 0 CA--C 1.532 1.114 0 CA-C-N 115.828 -0.623 . . . . 0.0 114.556 -177.712 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -62.56 -53.81 49.08 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 118.172 0.986 . . . . 0.0 112.796 -177.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -73.9 -38.2 64.42 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 120.36 -0.536 . . . . 0.0 111.97 178.706 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -59.25 -30.58 68.38 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.279 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.0 -31.87 63.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.768 -177.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -96.76 116.38 29.05 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 119.509 -0.876 . . . . 0.0 109.471 179.447 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -63.81 -37.27 86.75 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 114.177 1.176 . . . . 0.0 114.177 -178.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -71.63 142.49 49.94 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 -177.16 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 51' ' ' VAL . . . . . 0.552 ' O ' HG12 ' B' ' 54' ' ' VAL . 5.0 m -72.04 -29.13 31.72 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.16 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 177.15 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -58.86 -25.08 62.97 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 114.216 -1.357 . . . . 0.0 108.968 177.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.5 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -52.13 -36.83 52.44 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 114.679 -1.146 . . . . 0.0 110.72 -178.1 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.591 HG13 ' N ' ' B' ' 55' ' ' ASP . 7.4 p -60.32 -43.68 94.18 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 C-N-CA 119.208 -0.997 . . . . 0.0 109.952 178.759 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.591 ' N ' HG13 ' B' ' 54' ' ' VAL . 91.7 m-20 -63.03 -43.95 97.25 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.439 179.575 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 57.2 mtmt -60.9 -38.26 85.11 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 119.958 -0.697 . . . . 0.0 110.394 179.223 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.5 HG23 ' O ' ' B' ' 53' ' ' ALA . 79.5 t -64.65 -45.73 94.5 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 C-N-CA 120.201 -0.6 . . . . 0.0 110.644 179.262 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -70.97 -34.76 71.74 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 113.944 1.09 . . . . 0.0 113.944 -179.101 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 13.3 mtmt -59.39 -41.11 88.64 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 119.28 -0.968 . . . . 0.0 111.894 -178.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -64.19 -40.43 96.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.481 0.658 . . . . 0.0 110.379 179.154 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.477 HD11 HD22 ' B' ' 77' ' ' LEU . 80.4 mt -68.61 -32.99 73.27 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.892 -1.049 . . . . 0.0 112.634 -179.724 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -73.04 86.1 1.33 Allowed 'General case' 0 N--CA 1.446 -0.653 0 C-N-CA 118.854 -1.138 . . . . 0.0 111.05 -177.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -63.23 -47.27 83.19 Favored 'General case' 0 CA--C 1.503 -0.83 0 CA-C-O 122.53 1.157 . . . . 0.0 110.991 177.024 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -59.17 -35.61 73.84 Favored 'General case' 0 C--N 1.3 -1.567 0 CA-C-N 112.819 -1.992 . . . . 0.0 111.348 -179.061 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.43 18.58 70.87 Favored Glycine 0 CA--C 1.521 0.417 0 N-CA-C 108.322 -1.911 . . . . 0.0 108.322 -177.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.518 ' O ' ' OE1' ' B' ' 68' ' ' GLU . 23.9 p-10 -86.31 1.37 51.26 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 114.956 -0.622 . . . . 0.0 112.665 -178.456 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 82.88 1.54 90.62 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 178.563 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.518 ' OE1' ' O ' ' B' ' 66' ' ' ASP . 52.6 mp0 -120.17 155.86 32.26 Favored 'General case' 0 C--O 1.239 0.548 0 CA-C-O 121.635 0.731 . . . . 0.0 112.202 179.605 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 48.6 t -108.17 132.02 57.05 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 176.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.548 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 50.9 t0 -101.3 160.01 14.78 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.073 0.463 . . . . 0.0 111.421 -178.08 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.548 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 1.0 OUTLIER -50.42 -43.8 54.97 Favored 'General case' 0 C--O 1.218 -0.604 0 CA-C-N 115.538 -0.756 . . . . 0.0 109.172 -178.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.41 ' HG2' HG21 ' A' ' 83' ' ' VAL . 93.9 mt-30 -61.74 -40.57 95.55 Favored 'General case' 0 C--O 1.246 0.898 0 C-N-CA 119.663 -0.815 . . . . 0.0 110.709 178.841 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.443 ' O ' HG22 ' B' ' 76' ' ' VAL . 86.3 mt-10 -64.7 -41.77 95.79 Favored 'General case' 0 C--O 1.24 0.57 0 CA-C-O 122.172 0.987 . . . . 0.0 109.875 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -63.48 -40.91 98.35 Favored 'General case' 0 C--O 1.24 0.593 0 CA-C-N 114.686 -1.143 . . . . 0.0 110.013 178.645 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.616 HG13 ' HB1' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -60.72 -48.27 89.49 Favored 'Isoleucine or valine' 0 C--O 1.247 0.951 0 CA-C-N 113.736 -1.575 . . . . 0.0 109.921 -179.01 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.443 HG22 ' O ' ' B' ' 73' ' ' GLU . 14.6 m -67.49 -34.4 68.27 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.497 0 C-N-CA 117.855 -1.538 . . . . 0.0 109.262 178.646 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.477 HD22 HD11 ' B' ' 61' ' ' LEU . 51.5 tp -56.12 -53.02 62.08 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 119.237 -0.985 . . . . 0.0 112.263 178.293 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 34.3 m -69.94 -35.67 65.56 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.215 0 C-N-CA 118.681 -1.208 . . . . 0.0 111.851 -178.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.658 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . . . -68.63 -48.03 65.12 Favored 'General case' 0 C--O 1.248 1.019 0 C-N-CA 119.068 -1.053 . . . . 0.0 111.701 -179.512 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.22 -40.2 96.8 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 179.489 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 5.5 mp -65.38 -34.18 77.7 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 119.219 -0.992 . . . . 0.0 109.741 176.589 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 39.6 m -62.84 -50.13 72.16 Favored 'General case' 0 C--O 1.244 0.814 0 C-N-CA 119.803 -0.759 . . . . 0.0 111.242 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.407 HG21 ' HG2' ' A' ' 72' ' ' GLN . 13.7 p -63.98 -39.11 84.26 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 119.133 -1.027 . . . . 0.0 110.626 178.744 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.585 ' O ' ' CD1' ' B' ' 88' ' ' PHE . . . -64.89 -31.7 73.05 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-O 121.21 0.528 . . . . 0.0 109.84 178.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 18.1 t -67.53 -54.06 23.16 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.691 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -56.59 -41.8 77.6 Favored 'General case' 0 C--O 1.24 0.585 0 C-N-CA 118.588 -1.245 . . . . 0.0 109.124 179.336 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -59.76 -38.2 81.12 Favored 'General case' 0 C--O 1.22 -0.499 0 C-N-CA 120.187 -0.605 . . . . 0.0 109.438 178.596 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.585 ' CD1' ' O ' ' B' ' 84' ' ' ALA . 4.7 m-30 -64.51 -41.33 96.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -66.4 -55.39 16.04 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.183 -0.607 . . . . 0.0 111.609 -179.385 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.591 ' CD2' ' OH ' ' A' ' 26' ' ' TYR . 23.8 t-105 -64.77 -40.14 94.79 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.261 0.553 . . . . 0.0 112.258 179.369 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.53 ' O ' ' O ' ' B' ' 88' ' ' PHE . 1.3 tm-20 -98.44 142.75 29.67 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.161 -177.658 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -55.32 -34.36 64.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.126 -179.48 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 52.8 p . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.514 -179.931 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 201' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 201' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.666 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.416 ' OG ' ' O ' ' B' ' 40' ' ' GLU . 55.7 p -69.61 163.27 25.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.753 0.311 . . . . 0.0 110.636 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.24 -37.53 83.4 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.751 -179.357 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.637 ' O ' HD23 ' A' ' 4' ' ' LEU . 5.4 tt -62.37 -41.82 98.92 Favored 'General case' 0 C--O 1.242 0.659 0 CA-C-O 121.873 0.844 . . . . 0.0 108.755 -179.547 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.453 ' OE1' ' C ' ' A' ' 5' ' ' GLU . 7.9 tm-20 -63.77 -40.27 96.27 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 114.742 -1.117 . . . . 0.0 109.515 179.581 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 43.7 m -60.26 -40.12 89.21 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 178.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.38 -44.43 94.76 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.344 179.535 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 96.0 mtp -59.49 -41.02 88.89 Favored 'General case' 0 C--O 1.25 1.095 0 CA-C-O 121.909 0.862 . . . . 0.0 109.507 179.12 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.76 -35.66 81.8 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.091 -0.958 . . . . 0.0 109.991 178.053 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 54.1 m -64.28 -43.45 94.75 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 119.858 -0.737 . . . . 0.0 110.255 179.434 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 36.5 mt -61.73 -42.56 99.12 Favored 'General case' 0 C--O 1.241 0.606 0 C-N-CA 119.188 -1.005 . . . . 0.0 108.805 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.6 mt -62.2 -45.24 99.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 C-N-CA 119.709 -0.797 . . . . 0.0 111.576 178.56 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -61.93 -41.58 98.11 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.786 0.662 . . . . 0.0 112.786 -178.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 16.0 m -73.84 -41.37 53.87 Favored 'Isoleucine or valine' 0 C--O 1.255 1.377 0 C-N-CA 119.241 -0.984 . . . . 0.0 111.56 -179.333 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -59.91 -47.8 84.3 Favored 'General case' 0 CA--C 1.511 -0.522 0 C-N-CA 119.221 -0.992 . . . . 0.0 109.751 177.383 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -64.03 -34.71 78.63 Favored 'General case' 0 CA--C 1.502 -0.894 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.908 178.068 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.535 ' O ' ' HB2' ' A' ' 21' ' ' LYS . . . -57.59 -52.03 67.06 Favored 'General case' 0 N--CA 1.435 -1.182 0 C-N-CA 118.527 -1.269 . . . . 0.0 109.564 -178.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.488 ' CD2' ' HG ' ' A' ' 36' ' ' LEU . 38.0 m-70 -79.43 -51.78 8.92 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.468 ' OG ' ' O ' ' A' ' 25' ' ' LYS . 24.4 t -58.02 -40.84 81.84 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 118.823 -1.151 . . . . 0.0 108.927 -179.339 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.77 -44.65 68.81 Favored Glycine 0 C--N 1.343 0.932 0 CA-C-N 115.254 -0.885 . . . . 0.0 112.151 178.365 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.535 ' HB2' ' O ' ' A' ' 17' ' ' ALA . 6.3 ttpm? -59.52 -42.4 92.19 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.18 -0.608 . . . . 0.0 112.223 -179.138 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.445 ' C ' ' OE2' ' A' ' 32' ' ' GLU . 97.3 mt-10 -129.31 151.64 49.75 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.04 -148.31 32.73 Favored Glycine 0 CA--C 1.524 0.629 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.285 177.668 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -70.85 139.21 50.8 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 179.177 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.468 ' O ' ' OG ' ' A' ' 19' ' ' SER . 31.8 mtmt -61.62 -32.92 73.08 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 -177.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.596 ' OH ' ' CD2' ' B' ' 90' ' ' TRP . 95.9 m-85 -107.12 20.18 19.36 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -177.392 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.9 tptt -138.89 137.47 36.55 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 178.548 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.7 tp -111.08 126.97 55.38 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 -177.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 97.7 p -96.84 166.91 11.4 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.699 -0.228 . . . . 0.0 110.781 -179.535 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.7 ttpt -54.44 -47.97 72.23 Favored 'General case' 0 C--O 1.242 0.66 0 CA-C-O 121.012 0.434 . . . . 0.0 112.043 -177.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.581 ' CG ' ' N ' ' A' ' 32' ' ' GLU . 26.0 pttm -60.51 -48.53 81.38 Favored 'General case' 0 N--CA 1.44 -0.93 0 C-N-CA 119.714 -0.794 . . . . 0.0 109.737 -178.475 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.581 ' N ' ' CG ' ' A' ' 31' ' ' LYS . 95.6 mt-10 -62.54 -50.25 72.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.516 -0.765 . . . . 0.0 112.529 -178.443 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.454 HD22 HG21 ' A' ' 69' ' ' VAL . 1.6 pp -60.86 -36.09 78.27 Favored 'General case' 0 CA--C 1.501 -0.941 0 C-N-CA 118.771 -1.172 . . . . 0.0 110.142 -179.422 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.513 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 10.4 tptp -56.09 -36.84 68.58 Favored 'General case' 0 N--CA 1.435 -1.186 0 C-N-CA 118.244 -1.383 . . . . 0.0 108.13 178.321 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.848 ' O ' HG23 ' A' ' 39' ' ' THR . 97.0 mt-10 -74.6 -40.88 61.32 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 113.076 0.769 . . . . 0.0 113.076 179.719 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.75 ' O ' HD23 ' A' ' 36' ' ' LEU . 3.9 tt -65.38 -44.9 86.08 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 120.044 -0.663 . . . . 0.0 110.99 -177.316 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.556 ' O ' ' O ' ' A' ' 41' ' ' LEU . 1.4 mm? -65.02 -44.67 88.41 Favored 'General case' 0 C--N 1.342 0.243 0 C-N-CA 119.083 -1.047 . . . . 0.0 111.513 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.513 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 27.3 mt-30 -63.73 -38.98 93.13 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.381 -0.528 . . . . 0.0 111.628 179.688 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.848 HG23 ' O ' ' A' ' 35' ' ' GLU . 63.4 p -72.11 -32.91 67.41 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.609 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.439 ' O ' ' OG ' ' B' ' 2' ' ' SER . 76.6 mm-40 -101.34 -59.52 1.69 Allowed 'General case' 0 N--CA 1.463 0.189 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 -178.799 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.556 ' O ' ' O ' ' A' ' 37' ' ' LEU . 53.6 mt -99.39 142.23 31.14 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.323 0.582 . . . . 0.0 111.35 -178.85 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 70.4 m -108.49 -77.74 0.6 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.537 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.454 ' O ' ' HB2' ' A' ' 47' ' ' ALA . . . -56.8 -36.42 72.43 Favored Glycine 0 CA--C 1.531 1.093 0 CA-C-N 115.471 -0.786 . . . . 0.0 113.92 -178.094 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -61.51 -57.01 13.83 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 118.068 0.934 . . . . 0.0 112.755 -177.669 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.577 ' O ' HD13 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -71.12 -39.83 71.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.597 0.713 . . . . 0.0 109.58 -179.736 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -63.32 -29.35 70.68 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 114.684 -1.144 . . . . 0.0 112.706 179.233 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.454 ' HB2' ' O ' ' A' ' 43' ' ' GLY . . . -55.1 -29.82 58.44 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -176.513 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 95.2 mm-40 -60.55 -36.81 79.35 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 119.706 -0.798 . . . . 0.0 109.355 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.524 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 94.7 mttt 60.92 38.55 17.55 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.422 -0.808 . . . . 0.0 113.079 178.582 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.524 ' OD1' ' O ' ' A' ' 49' ' ' LYS . 91.0 m-20 -141.4 149.91 41.69 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.319 178.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.2 m -72.87 -31.51 36.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.487 179.611 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -87.07 2.72 48.8 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.594 179.691 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.462 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -58.61 -38.23 77.56 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.443 -0.503 . . . . 0.0 110.711 -178.842 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.609 HG13 ' N ' ' A' ' 55' ' ' ASP . 7.2 p -60.17 -44.3 95.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 C-N-CA 119.721 -0.792 . . . . 0.0 110.276 179.602 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.609 ' N ' HG13 ' A' ' 54' ' ' VAL . 92.2 m-20 -62.61 -43.92 97.59 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.297 179.376 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.96 -40.43 95.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.882 179.381 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 53' ' ' ALA . 69.4 t -65.84 -44.09 92.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.946 -0.57 . . . . 0.0 112.143 -179.253 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -69.05 -33.49 73.66 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 -178.871 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.7 mtmm -60.0 -41.32 91.81 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 113.283 0.845 . . . . 0.0 113.283 -178.195 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -72.22 -36.69 69.22 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 119.556 -0.858 . . . . 0.0 110.685 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.473 ' O ' ' CD ' ' A' ' 73' ' ' GLU . 88.7 mt -67.51 -33.86 75.95 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.86 179.585 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 51.8 t0 -72.43 86.72 1.15 Allowed 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 119.146 -1.022 . . . . 0.0 111.095 -178.048 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -63.18 -47.23 83.49 Favored 'General case' 0 CA--C 1.506 -0.744 0 CA-C-O 122.433 1.111 . . . . 0.0 110.878 176.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -59.36 -35.52 74.04 Favored 'General case' 0 C--N 1.3 -1.575 0 CA-C-N 112.929 -1.941 . . . . 0.0 111.31 -179.215 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.57 18.64 70.34 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 108.494 -1.842 . . . . 0.0 108.494 -178.047 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.514 ' O ' ' OE1' ' A' ' 68' ' ' GLU . 23.2 p-10 -87.12 2.04 51.08 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -178.44 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 83.93 1.56 89.76 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 178.649 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.514 ' OE1' ' O ' ' A' ' 66' ' ' ASP . 51.3 mp0 -120.64 156.75 31.04 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-O 121.498 0.666 . . . . 0.0 112.137 179.719 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.454 HG21 HD22 ' A' ' 33' ' ' LEU . 49.7 t -105.69 131.7 54.5 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 N-CA-C 107.178 -1.415 . . . . 0.0 107.178 176.707 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.543 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 51.3 t0 -101.55 160.04 14.78 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.146 0.498 . . . . 0.0 111.341 -178.256 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.543 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 1.0 OUTLIER -50.09 -43.34 51.39 Favored 'General case' 0 C--O 1.215 -0.723 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.002 -178.471 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.414 ' HG2' HG21 ' B' ' 83' ' ' VAL . 94.3 mt-30 -62.29 -40.94 97.91 Favored 'General case' 0 C--O 1.245 0.832 0 C-N-CA 119.849 -0.74 . . . . 0.0 110.999 178.8 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.473 ' CD ' ' O ' ' A' ' 61' ' ' LEU . 87.9 mt-10 -64.63 -41.95 95.81 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 122.304 1.05 . . . . 0.0 109.602 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -63.46 -40.72 97.87 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-N 114.409 -1.269 . . . . 0.0 109.928 178.459 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.645 HG13 ' HB1' ' B' ' 79' ' ' ALA . 0.5 OUTLIER -60.44 -48.33 88.87 Favored 'Isoleucine or valine' 0 C--O 1.248 0.993 0 CA-C-N 113.842 -1.527 . . . . 0.0 109.871 -178.943 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.47 HG22 ' O ' ' A' ' 73' ' ' GLU . 15.9 m -67.38 -34.59 69.74 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.585 0 C-N-CA 117.871 -1.532 . . . . 0.0 109.244 178.644 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 50.2 tp -56.38 -51.71 67.32 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 119.095 -1.042 . . . . 0.0 112.298 178.34 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 34.6 m -70.3 -34.97 60.67 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.358 0 C-N-CA 118.734 -1.186 . . . . 0.0 111.62 -178.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.715 ' HB2' ' HB2' ' B' ' 79' ' ' ALA . . . -68.26 -47.77 66.85 Favored 'General case' 0 C--O 1.251 1.14 0 C-N-CA 118.893 -1.123 . . . . 0.0 111.539 -179.663 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.51 -39.72 95.17 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.2 179.385 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.8 mp -65.1 -34.13 77.66 Favored 'General case' 0 C--O 1.22 -0.492 0 C-N-CA 119.239 -0.984 . . . . 0.0 109.706 176.533 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 31.7 m -63.14 -50.25 71.18 Favored 'General case' 0 C--O 1.245 0.847 0 C-N-CA 119.83 -0.748 . . . . 0.0 111.154 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.419 HG21 ' HG2' ' B' ' 72' ' ' GLN . 12.8 p -64.05 -39.66 86.28 Favored 'Isoleucine or valine' 0 C--O 1.239 0.537 0 C-N-CA 118.935 -1.106 . . . . 0.0 111.045 179.182 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.459 ' O ' ' CD2' ' A' ' 88' ' ' PHE . . . -64.91 -34.49 78.51 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 120.386 -0.526 . . . . 0.0 109.725 178.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.458 ' C ' ' SD ' ' A' ' 201' ' ' HCS . 45.9 t -62.89 -54.67 35.09 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.643 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 36.8 t30 -56.24 -40.35 74.0 Favored 'General case' 0 C--O 1.238 0.496 0 C-N-CA 118.582 -1.247 . . . . 0.0 108.77 178.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.673 ' O ' ' HB2' ' A' ' 91' ' ' GLU . 86.7 m-20 -59.64 -42.17 92.16 Favored 'General case' 0 C--O 1.203 -1.388 0 C-N-CA 120.227 -0.589 . . . . 0.0 110.424 178.717 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.529 ' O ' ' O ' ' A' ' 91' ' ' GLU . 76.0 m-85 -67.03 -35.09 79.12 Favored 'General case' 0 C--N 1.31 -1.142 0 C-N-CA 117.274 -1.77 . . . . 0.0 110.592 178.709 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -64.25 -61.97 1.91 Allowed 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 119.682 -0.807 . . . . 0.0 111.715 -178.718 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.596 ' CG ' ' OH ' ' B' ' 26' ' ' TYR . 18.7 t-105 -70.09 -43.48 70.99 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 121.64 0.733 . . . . 0.0 111.483 178.778 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.673 ' HB2' ' O ' ' A' ' 87' ' ' ASN . 69.6 mm-40 -99.66 151.63 20.99 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.48 -1.236 . . . . 0.0 111.609 -178.731 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 17.6 m120 60.26 44.0 13.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.691 179.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 23.8 t . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 118.028 -0.987 . . . . 0.0 110.541 179.898 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.68 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' SER . . . . . 0.439 ' OG ' ' O ' ' A' ' 40' ' ' GLU . 56.2 p -69.53 163.24 25.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.704 0.288 . . . . 0.0 110.643 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.22 -37.53 83.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.753 -179.377 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.628 ' O ' HD23 ' B' ' 4' ' ' LEU . 5.4 tt -62.4 -41.77 98.91 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.911 0.862 . . . . 0.0 108.714 -179.514 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.457 ' C ' ' OE1' ' B' ' 5' ' ' GLU . 7.9 tm-20 -63.82 -40.37 96.45 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 114.792 -1.095 . . . . 0.0 109.456 179.561 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 43.3 m -60.25 -39.91 88.4 Favored 'General case' 0 CA--C 1.515 -0.397 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 178.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.68 -44.25 94.28 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.282 179.591 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 96.0 mtp -59.73 -40.96 89.79 Favored 'General case' 0 C--O 1.25 1.112 0 CA-C-O 121.822 0.82 . . . . 0.0 109.451 179.185 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.7 -36.37 84.06 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.874 178.095 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 52.2 m -63.47 -43.67 96.65 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 119.874 -0.73 . . . . 0.0 110.419 179.272 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 41.8 mt -61.7 -42.5 99.02 Favored 'General case' 0 C--O 1.24 0.56 0 C-N-CA 119.185 -1.006 . . . . 0.0 108.816 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.7 mt -62.11 -45.41 98.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.489 178.598 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -61.93 -41.48 97.99 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -178.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 15.9 m -73.89 -41.41 53.53 Favored 'Isoleucine or valine' 0 C--O 1.256 1.412 0 C-N-CA 119.25 -0.98 . . . . 0.0 111.494 -179.354 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -59.87 -47.88 83.95 Favored 'General case' 0 CA--C 1.511 -0.521 0 C-N-CA 119.308 -0.957 . . . . 0.0 109.693 177.361 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -63.98 -34.71 78.61 Favored 'General case' 0 CA--C 1.502 -0.887 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.934 178.086 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.527 ' O ' ' HB2' ' B' ' 21' ' ' LYS . . . -57.58 -52.06 66.93 Favored 'General case' 0 N--CA 1.435 -1.211 0 C-N-CA 118.521 -1.271 . . . . 0.0 109.615 -178.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.492 ' HB2' HD12 ' B' ' 36' ' ' LEU . 37.9 m-70 -79.22 -51.94 8.81 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 114.584 1.327 . . . . 0.0 114.584 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.457 ' OG ' ' O ' ' B' ' 25' ' ' LYS . 24.4 t -58.05 -40.87 82.02 Favored 'General case' 0 C--N 1.341 0.198 0 C-N-CA 118.814 -1.155 . . . . 0.0 108.971 -179.271 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.91 -44.42 68.42 Favored Glycine 0 C--N 1.343 0.969 0 CA-C-N 115.22 -0.9 . . . . 0.0 112.118 178.474 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.527 ' HB2' ' O ' ' B' ' 17' ' ' ALA . 6.3 ttpm? -59.59 -42.45 92.56 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.213 -0.595 . . . . 0.0 112.23 -179.194 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.45 ' C ' ' OE2' ' B' ' 32' ' ' GLU . 97.3 mt-10 -129.27 151.64 49.71 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.93 -148.2 32.48 Favored Glycine 0 N--CA 1.465 0.588 0 CA-C-N 115.762 -0.654 . . . . 0.0 112.371 177.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -70.89 139.2 50.7 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 179.178 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.457 ' O ' ' OG ' ' B' ' 19' ' ' SER . 31.8 mtmt -61.52 -32.94 73.0 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 -177.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.596 ' OH ' ' CG ' ' A' ' 90' ' ' TRP . 96.0 m-85 -107.12 20.19 19.35 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 -177.346 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 33.3 tptt -138.8 137.52 36.73 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 178.519 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 13.6 tp -111.06 126.84 55.24 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 -177.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 97.7 p -96.8 166.91 11.41 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.75 -0.204 . . . . 0.0 110.798 -179.555 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 20.6 ttpt -54.37 -48.04 71.95 Favored 'General case' 0 C--O 1.241 0.646 0 CA-C-O 121.124 0.488 . . . . 0.0 112.114 -177.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.603 ' HG3' ' N ' ' B' ' 32' ' ' GLU . 26.0 pttm -60.47 -48.49 81.51 Favored 'General case' 0 N--CA 1.441 -0.88 0 C-N-CA 119.743 -0.783 . . . . 0.0 109.67 -178.47 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.603 ' N ' ' HG3' ' B' ' 31' ' ' LYS . 95.5 mt-10 -62.65 -50.31 71.7 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.412 -178.367 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.456 HD22 HG21 ' B' ' 69' ' ' VAL . 1.6 pp -60.82 -36.11 78.22 Favored 'General case' 0 CA--C 1.5 -0.951 0 C-N-CA 118.798 -1.161 . . . . 0.0 110.138 -179.392 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.503 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 10.4 tptp -56.08 -36.78 68.48 Favored 'General case' 0 N--CA 1.435 -1.189 0 C-N-CA 118.244 -1.383 . . . . 0.0 108.136 178.348 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.848 ' O ' HG23 ' B' ' 39' ' ' THR . 97.1 mt-10 -74.69 -40.92 61.1 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 179.737 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.738 ' O ' HD23 ' B' ' 36' ' ' LEU . 4.0 tt -65.36 -44.81 86.45 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 120.076 -0.65 . . . . 0.0 111.073 -177.351 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.547 ' O ' ' O ' ' B' ' 41' ' ' LEU . 1.4 mm? -65.11 -44.54 88.43 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 119.043 -1.063 . . . . 0.0 111.509 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.503 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 27.3 mt-30 -63.74 -39.07 93.4 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.354 -0.538 . . . . 0.0 111.577 179.673 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.848 HG23 ' O ' ' B' ' 35' ' ' GLU . 63.4 p -72.1 -32.9 67.43 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.644 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.416 ' O ' ' OG ' ' A' ' 2' ' ' SER . 76.7 mm-40 -101.23 -59.62 1.67 Allowed 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 -178.847 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.547 ' O ' ' O ' ' B' ' 37' ' ' LEU . 53.7 mt -99.28 142.25 31.01 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 121.295 0.569 . . . . 0.0 111.331 -178.76 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 70.3 m -108.58 -77.72 0.6 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.572 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' GLY . . . . . 0.463 ' O ' ' HB2' ' B' ' 47' ' ' ALA . . . -56.8 -36.4 72.32 Favored Glycine 0 CA--C 1.531 1.044 0 CA-C-N 115.527 -0.76 . . . . 0.0 114.008 -178.166 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -61.55 -57.02 13.78 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 117.997 0.899 . . . . 0.0 112.737 -177.664 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.572 HD13 ' O ' ' B' ' 45' ' ' LEU . 0.2 OUTLIER -71.11 -39.79 71.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.59 0.709 . . . . 0.0 109.57 -179.778 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -63.32 -29.48 70.79 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 114.754 -1.112 . . . . 0.0 112.66 179.298 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 47' ' ' ALA . . . . . 0.463 ' HB2' ' O ' ' B' ' 43' ' ' GLY . . . -54.99 -29.95 58.28 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -176.49 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 95.1 mm-40 -60.4 -36.87 79.13 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 119.748 -0.781 . . . . 0.0 109.383 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.534 ' O ' ' OD1' ' B' ' 50' ' ' ASP . 94.7 mttt 60.95 38.55 17.45 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 115.444 -0.798 . . . . 0.0 113.049 178.593 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 50' ' ' ASP . . . . . 0.534 ' OD1' ' O ' ' B' ' 49' ' ' LYS . 90.9 m-20 -141.4 149.92 41.7 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.32 178.034 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 6.2 m -72.88 -31.53 36.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.481 179.595 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -87.12 2.76 48.77 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.588 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.459 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -58.63 -38.27 77.71 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.762 -178.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.604 HG13 ' N ' ' B' ' 55' ' ' ASP . 7.2 p -60.15 -44.24 94.78 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 C-N-CA 119.803 -0.759 . . . . 0.0 110.286 179.55 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.604 ' N ' HG13 ' B' ' 54' ' ' VAL . 92.2 m-20 -62.66 -43.92 97.58 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.3 179.371 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.97 -40.39 95.43 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.944 179.382 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.459 HG23 ' O ' ' B' ' 53' ' ' ALA . 69.8 t -65.77 -44.15 93.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.881 -0.6 . . . . 0.0 112.159 -179.274 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -69.01 -33.45 73.66 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 -178.853 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 16.7 mtmm -60.09 -41.23 92.07 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 113.239 0.829 . . . . 0.0 113.239 -178.171 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -72.3 -36.61 68.98 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 119.618 -0.833 . . . . 0.0 110.663 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.474 ' O ' ' CD ' ' B' ' 73' ' ' GLU . 88.8 mt -67.66 -33.67 75.41 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.914 179.609 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -72.49 86.69 1.17 Allowed 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 119.158 -1.017 . . . . 0.0 111.161 -178.132 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -63.15 -47.22 83.64 Favored 'General case' 0 CA--C 1.506 -0.741 0 CA-C-O 122.407 1.098 . . . . 0.0 110.905 176.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -59.37 -35.52 74.06 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-N 112.835 -1.984 . . . . 0.0 111.335 -179.185 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.55 18.63 70.44 Favored Glycine 0 CA--C 1.52 0.374 0 N-CA-C 108.549 -1.82 . . . . 0.0 108.549 -177.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.523 ' O ' ' OE1' ' B' ' 68' ' ' GLU . 23.3 p-10 -87.09 2.08 50.9 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 -178.4 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 83.88 1.61 89.8 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 178.675 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.523 ' OE1' ' O ' ' B' ' 66' ' ' ASP . 51.2 mp0 -120.68 156.67 31.26 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-O 121.528 0.68 . . . . 0.0 112.191 179.703 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.456 HG21 HD22 ' B' ' 33' ' ' LEU . 49.0 t -105.53 131.63 54.44 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 N-CA-C 107.308 -1.367 . . . . 0.0 107.308 176.686 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.544 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 50.2 t0 -101.06 159.94 14.8 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.117 0.484 . . . . 0.0 111.277 -178.177 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.544 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 1.0 OUTLIER -50.21 -43.44 52.74 Favored 'General case' 0 C--O 1.215 -0.744 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 -178.873 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.419 ' HG2' HG21 ' A' ' 83' ' ' VAL . 94.2 mt-30 -62.11 -41.04 97.83 Favored 'General case' 0 C--O 1.245 0.835 0 C-N-CA 119.908 -0.717 . . . . 0.0 110.98 178.803 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.474 ' CD ' ' O ' ' B' ' 61' ' ' LEU . 87.9 mt-10 -64.63 -41.91 95.85 Favored 'General case' 0 C--O 1.241 0.623 0 CA-C-O 122.302 1.049 . . . . 0.0 109.628 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -63.5 -40.64 97.61 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-N 114.374 -1.285 . . . . 0.0 110.034 178.411 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.644 HG13 ' HB1' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -60.45 -48.37 88.69 Favored 'Isoleucine or valine' 0 C--O 1.248 0.992 0 CA-C-N 113.813 -1.54 . . . . 0.0 109.885 -178.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.46 HG22 ' O ' ' B' ' 73' ' ' GLU . 15.8 m -67.37 -34.53 69.45 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.512 0 C-N-CA 117.798 -1.561 . . . . 0.0 109.218 178.665 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 49.6 tp -56.49 -51.67 67.63 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 119.105 -1.038 . . . . 0.0 112.268 178.39 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 34.6 m -70.31 -34.93 60.47 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.344 0 C-N-CA 118.69 -1.204 . . . . 0.0 111.701 -178.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.715 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . . . -68.1 -47.98 66.72 Favored 'General case' 0 C--O 1.25 1.116 0 C-N-CA 118.969 -1.093 . . . . 0.0 111.53 -179.737 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.39 -39.82 95.56 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.199 179.453 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 5.7 mp -65.02 -34.29 78.08 Favored 'General case' 0 C--O 1.219 -0.505 0 C-N-CA 119.166 -1.014 . . . . 0.0 109.687 176.519 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 31.4 m -62.91 -50.27 71.53 Favored 'General case' 0 C--O 1.246 0.89 0 C-N-CA 119.795 -0.762 . . . . 0.0 111.176 179.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.414 HG21 ' HG2' ' A' ' 72' ' ' GLN . 12.8 p -64.09 -39.65 86.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 C-N-CA 118.91 -1.116 . . . . 0.0 111.015 179.226 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.46 ' O ' ' CD2' ' B' ' 88' ' ' PHE . . . -64.88 -34.41 78.32 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 120.282 -0.567 . . . . 0.0 109.79 178.781 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 85' ' ' CYS . . . . . 0.452 ' C ' ' SD ' ' B' ' 201' ' ' HCS . 46.1 t -62.85 -54.85 32.5 Favored 'General case' 0 CA--C 1.509 -0.621 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.574 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 36.9 t30 -56.14 -40.38 73.73 Favored 'General case' 0 C--O 1.239 0.518 0 C-N-CA 118.57 -1.252 . . . . 0.0 108.834 179.024 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 87' ' ' ASN . . . . . 0.654 ' O ' ' HB2' ' B' ' 91' ' ' GLU . 86.4 m-20 -59.63 -42.16 92.1 Favored 'General case' 0 C--O 1.202 -1.425 0 C-N-CA 120.183 -0.607 . . . . 0.0 110.486 178.702 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.533 ' O ' ' O ' ' B' ' 91' ' ' GLU . 75.9 m-85 -67.06 -35.07 79.05 Favored 'General case' 0 C--N 1.31 -1.129 0 C-N-CA 117.217 -1.793 . . . . 0.0 110.588 178.704 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -64.17 -62.03 1.88 Allowed 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 119.689 -0.805 . . . . 0.0 111.78 -178.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.596 ' CD2' ' OH ' ' A' ' 26' ' ' TYR . 18.8 t-105 -69.98 -43.52 71.28 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.765 0.793 . . . . 0.0 111.544 178.705 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.654 ' HB2' ' O ' ' B' ' 87' ' ' ASN . 69.6 mm-40 -99.59 151.74 20.83 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.42 -1.264 . . . . 0.0 111.637 -178.769 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 92' ' ' ASN . . . . . 0.407 ' O ' ' O ' ' B' ' 93' ' ' SER . 17.7 m120 60.14 44.02 13.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.642 179.689 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 93' ' ' SER . . . . . 0.407 ' O ' ' O ' ' B' ' 92' ' ' ASN . 23.4 t . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.522 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 201' ' ' HCS . . . . . 0.458 ' SD ' ' C ' ' A' ' 85' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 201' ' ' HCS . . . . . 0.452 ' SD ' ' C ' ' B' ' 85' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.62 ' O ' ' N ' ' A' ' 3' ' ' GLU . . . . . . . . 0 CA--C 1.523 0.591 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.5 m 38.41 18.88 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.624 0.25 . . . . 0.0 111.098 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.62 ' N ' ' O ' ' A' ' 1' ' ' GLY . 97.8 mt-10 -62.02 -36.93 83.04 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 120.597 -0.441 . . . . 0.0 111.167 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.742 ' O ' HD23 ' A' ' 4' ' ' LEU . 4.5 tt -61.34 -39.7 91.55 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.456 ' OE1' ' C ' ' A' ' 5' ' ' GLU . 8.0 tm-20 -62.45 -40.51 96.84 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 114.96 -1.018 . . . . 0.0 109.318 179.062 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.8 m -60.08 -39.65 86.82 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 178.698 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.83 -43.46 98.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.078 -0.964 . . . . 0.0 109.851 179.483 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 98.0 mtp -59.59 -41.28 89.91 Favored 'General case' 0 C--O 1.249 1.061 0 CA-C-O 121.971 0.891 . . . . 0.0 109.365 179.098 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -64.81 -36.04 83.05 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.191 178.246 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 48.6 m -64.47 -43.3 94.65 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 119.875 -0.73 . . . . 0.0 110.206 179.547 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 37.9 mt -61.71 -42.82 99.45 Favored 'General case' 0 C--O 1.242 0.664 0 C-N-CA 119.125 -1.03 . . . . 0.0 108.959 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 98.4 mt -62.09 -46.05 97.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 C-N-CA 119.733 -0.787 . . . . 0.0 111.427 178.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -61.71 -41.4 97.56 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 -179.016 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.402 HG21 HD12 ' B' ' 4' ' ' LEU . 14.4 m -73.48 -41.17 56.39 Favored 'Isoleucine or valine' 0 C--O 1.251 1.176 0 C-N-CA 119.326 -0.95 . . . . 0.0 111.583 -179.257 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -60.04 -47.92 83.86 Favored 'General case' 0 CA--C 1.512 -0.514 0 C-N-CA 118.912 -1.115 . . . . 0.0 109.837 177.527 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -63.25 -35.95 82.03 Favored 'General case' 0 CA--C 1.502 -0.893 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.006 178.246 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.582 ' O ' ' HB2' ' A' ' 21' ' ' LYS . . . -57.27 -51.44 69.34 Favored 'General case' 0 N--CA 1.437 -1.116 0 C-N-CA 118.86 -1.136 . . . . 0.0 109.768 -178.824 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.479 ' HB2' HD12 ' A' ' 36' ' ' LEU . 45.4 m80 -78.96 -52.97 7.53 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 114.618 1.34 . . . . 0.0 114.618 -179.69 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.482 ' OG ' ' O ' ' A' ' 25' ' ' LYS . 21.3 t -57.97 -42.97 86.18 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 118.392 -1.323 . . . . 0.0 108.909 -178.778 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.91 -45.96 78.41 Favored Glycine 0 C--N 1.345 1.074 0 O-C-N 124.259 0.975 . . . . 0.0 112.414 178.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.582 ' HB2' ' O ' ' A' ' 17' ' ' ALA . 6.4 ttpm? -59.97 -41.79 92.75 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 -178.717 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.476 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 77.4 mm-40 -128.75 149.4 50.72 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 -179.464 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.82 -132.8 52.39 Favored Glycine 0 CA--C 1.523 0.548 0 CA-C-N 114.986 -1.006 . . . . 0.0 113.442 176.721 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -80.17 125.43 29.82 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-N 114.643 -0.778 . . . . 0.0 109.818 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.482 ' O ' ' OG ' ' A' ' 19' ' ' SER . 33.0 mtmt -58.0 -32.16 67.64 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.346 -0.843 . . . . 0.0 113.087 -177.275 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.608 ' OH ' ' CE2' ' B' ' 90' ' ' TRP . 83.9 m-85 -105.53 18.01 22.92 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 -177.272 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.2 tptt -142.21 139.72 32.09 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 119.719 -0.792 . . . . 0.0 109.254 178.485 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.7 tp -106.82 128.82 54.59 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 -178.048 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 96.6 p -102.36 166.43 10.56 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.559 -0.292 . . . . 0.0 111.088 -178.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.3 ttpt -53.84 -48.27 70.13 Favored 'General case' 0 C--O 1.24 0.567 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -177.683 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.594 ' CG ' ' N ' ' A' ' 32' ' ' GLU . 56.1 pttt -60.38 -48.28 82.42 Favored 'General case' 0 N--CA 1.441 -0.908 0 C-N-CA 119.827 -0.749 . . . . 0.0 109.615 -178.321 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.594 ' N ' ' CG ' ' A' ' 31' ' ' LYS . 95.3 mt-10 -63.08 -50.4 70.72 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.34 -0.845 . . . . 0.0 112.487 -178.294 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.1 -36.05 78.65 Favored 'General case' 0 CA--C 1.5 -0.98 0 C-N-CA 118.465 -1.294 . . . . 0.0 110.138 -179.558 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.2 tptp -56.02 -36.46 67.98 Favored 'General case' 0 N--CA 1.433 -1.308 0 C-N-CA 118.174 -1.41 . . . . 0.0 108.149 178.569 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.889 ' O ' HG23 ' A' ' 39' ' ' THR . 97.3 mt-10 -74.54 -41.18 61.04 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 179.236 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.74 ' O ' HD23 ' A' ' 36' ' ' LEU . 4.2 tt -65.96 -44.97 83.43 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 119.875 -0.73 . . . . 0.0 111.392 -176.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.569 ' O ' ' O ' ' A' ' 41' ' ' LEU . 1.2 mm? -64.41 -43.12 95.4 Favored 'General case' 0 C--O 1.226 -0.175 0 C-N-CA 118.729 -1.189 . . . . 0.0 110.836 179.666 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -62.94 -38.87 92.77 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 120.315 -0.554 . . . . 0.0 111.28 179.27 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.889 HG23 ' O ' ' A' ' 35' ' ' GLU . 57.9 p -71.05 -33.44 70.28 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.507 -0.477 . . . . 0.0 111.556 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.498 ' OE1' ' N ' ' B' ' 3' ' ' GLU . 78.3 mm-40 -102.12 -59.46 1.7 Allowed 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 -179.051 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.569 ' O ' ' O ' ' A' ' 37' ' ' LEU . 42.3 mt -99.22 141.71 31.65 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.363 0.601 . . . . 0.0 111.5 -178.572 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.47 ' OG ' ' N ' ' A' ' 43' ' ' GLY . 27.3 p -114.61 -61.43 1.75 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.491 179.474 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.47 ' N ' ' OG ' ' A' ' 42' ' ' SER . . . -58.86 -39.27 93.72 Favored Glycine 0 CA--C 1.532 1.128 0 CA-C-N 115.86 -0.609 . . . . 0.0 114.017 -178.235 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -61.72 -51.95 66.27 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 117.925 0.862 . . . . 0.0 112.284 -178.155 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -73.32 -40.8 64.18 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 120.157 -0.617 . . . . 0.0 111.034 178.368 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -61.59 -33.56 74.1 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.581 -0.736 . . . . 0.0 112.026 -179.536 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.53 -34.91 71.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.278 -0.419 . . . . 0.0 112.038 -177.577 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.497 ' C ' ' H ' ' A' ' 50' ' ' ASP . 93.9 mm-40 -61.63 -34.37 75.55 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.184 -0.607 . . . . 0.0 109.748 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 49.2 tttp 66.91 -31.11 0.16 Allowed 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.925 179.609 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.497 ' H ' ' C ' ' A' ' 48' ' ' GLN . 88.2 m-20 -70.76 142.65 51.39 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.345 -0.542 . . . . 0.0 111.199 -179.767 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.7 m -72.86 -29.63 30.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.671 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -86.48 5.12 36.77 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.323 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.529 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -57.76 -38.6 75.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.905 -178.79 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.601 HG13 ' N ' ' A' ' 55' ' ' ASP . 7.2 p -59.72 -43.94 92.61 Favored 'Isoleucine or valine' 0 C--O 1.239 0.549 0 C-N-CA 119.848 -0.741 . . . . 0.0 109.97 179.242 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.601 ' N ' HG13 ' A' ' 54' ' ' VAL . 91.5 m-20 -61.66 -43.05 99.6 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.909 179.116 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -61.7 -38.9 89.56 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.301 178.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 53' ' ' ALA . 79.0 t -64.88 -44.47 96.23 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.752 -179.416 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.531 ' CE ' ' O ' ' A' ' 67' ' ' GLY . 0.0 OUTLIER -68.38 -33.11 73.66 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 -178.868 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.62 ' CB ' ' HZ3' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -59.38 -41.6 89.75 Favored 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 -177.597 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -73.3 -37.03 66.36 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 119.681 -0.807 . . . . 0.0 110.987 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.437 ' O ' ' CD ' ' A' ' 73' ' ' GLU . 87.2 mt -67.79 -33.98 75.89 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-N 115.929 -0.578 . . . . 0.0 112.466 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.5 ' OD1' ' OD1' ' A' ' 66' ' ' ASP . 43.8 t0 -75.79 91.82 2.99 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 118.73 -1.188 . . . . 0.0 111.958 -177.612 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 -65.8 -46.29 79.23 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 122.702 1.239 . . . . 0.0 110.914 176.238 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 31.4 m120 -59.18 -34.87 72.63 Favored 'General case' 0 C--N 1.299 -1.616 0 CA-C-N 112.263 -2.244 . . . . 0.0 113.036 -178.08 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.443 ' C ' ' OD2' ' A' ' 62' ' ' ASP . . . 89.42 4.21 74.05 Favored Glycine 0 CA--C 1.529 0.934 0 N-CA-C 108.107 -1.997 . . . . 0.0 108.107 -176.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.65 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 49.3 p30 -61.8 -32.13 72.4 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 114.034 -1.083 . . . . 0.0 112.933 -179.669 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.65 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 98.91 -4.1 59.0 Favored Glycine 0 CA--C 1.521 0.456 0 N-CA-C 109.133 -1.587 . . . . 0.0 109.133 -178.407 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.49 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 54.2 mp0 -112.9 156.48 22.89 Favored 'General case' 0 C--O 1.242 0.683 0 CA-C-N 114.468 -0.866 . . . . 0.0 111.057 178.478 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 53.1 t -104.27 132.37 50.98 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 CA-C-N 115.018 -0.992 . . . . 0.0 108.711 177.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -99.18 159.28 15.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.066 0.46 . . . . 0.0 111.121 -178.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -50.6 -44.34 56.95 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.693 -178.203 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.407 ' HG2' HG21 ' B' ' 83' ' ' VAL . 94.1 mt-30 -61.73 -40.48 95.22 Favored 'General case' 0 C--O 1.244 0.778 0 C-N-CA 119.742 -0.783 . . . . 0.0 110.836 178.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.437 ' CD ' ' O ' ' A' ' 61' ' ' LEU . 92.5 mt-10 -65.03 -41.5 95.19 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-O 122.125 0.964 . . . . 0.0 109.903 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.527 ' OH ' ' CD1' ' B' ' 4' ' ' LEU . 59.3 t80 -63.65 -40.87 97.94 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 114.588 -1.187 . . . . 0.0 109.902 178.766 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.601 HG13 ' HB1' ' B' ' 79' ' ' ALA . 0.5 OUTLIER -61.4 -48.64 87.94 Favored 'Isoleucine or valine' 0 C--O 1.247 0.946 0 CA-C-N 113.77 -1.559 . . . . 0.0 110.258 -179.179 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.408 HG22 ' O ' ' A' ' 73' ' ' GLU . 13.4 m -67.51 -34.42 68.29 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 C-N-CA 118.117 -1.433 . . . . 0.0 109.277 178.846 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 53.9 tp -56.7 -53.04 62.29 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 119.365 -0.934 . . . . 0.0 112.291 178.496 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.486 HG11 HD11 ' B' ' 4' ' ' LEU . 31.9 m -70.24 -35.82 64.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 118.777 -1.169 . . . . 0.0 111.916 -178.754 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.651 ' HB2' ' HB2' ' B' ' 79' ' ' ALA . . . -68.86 -48.36 63.64 Favored 'General case' 0 C--O 1.249 1.079 0 C-N-CA 119.077 -1.049 . . . . 0.0 111.728 -179.503 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.07 -40.22 97.02 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 179.446 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.6 mp -65.39 -33.96 77.19 Favored 'General case' 0 C--O 1.218 -0.569 0 C-N-CA 119.292 -0.963 . . . . 0.0 109.767 176.652 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 39.2 m -63.05 -49.86 72.89 Favored 'General case' 0 C--O 1.245 0.829 0 C-N-CA 119.605 -0.838 . . . . 0.0 111.306 179.719 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.419 HG21 ' HG2' ' B' ' 72' ' ' GLN . 13.3 p -64.12 -39.21 84.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 118.946 -1.102 . . . . 0.0 110.69 178.796 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.45 -29.9 70.63 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 121.052 0.454 . . . . 0.0 109.818 178.703 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 47.6 t -68.38 -54.49 16.91 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.506 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -56.13 -41.26 75.06 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 118.666 -1.214 . . . . 0.0 108.703 178.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -59.73 -38.0 80.47 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.961 178.061 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.528 ' O ' ' O ' ' A' ' 91' ' ' GLU . 67.6 t80 -63.71 -46.27 86.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.282 179.776 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -65.63 -54.25 30.24 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.412 -0.515 . . . . 0.0 112.099 -178.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.61 ' CE2' ' OH ' ' B' ' 26' ' ' TYR . 23.9 t-105 -65.07 -41.27 95.22 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-O 121.218 0.532 . . . . 0.0 112.369 179.81 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.577 ' OE1' ' N ' ' A' ' 92' ' ' ASN . 1.3 tm-20 -98.32 144.64 27.51 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.961 -177.818 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.577 ' N ' ' OE1' ' A' ' 91' ' ' GLU . 86.1 m-20 -55.22 -34.31 63.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.896 -179.648 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.4 t . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 118.005 -0.997 . . . . 0.0 110.48 -179.936 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' GLY . . . . . 0.62 ' O ' ' N ' ' B' ' 3' ' ' GLU . . . . . . . . 0 CA--C 1.524 0.655 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 48.8 m 38.51 18.79 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.585 0.231 . . . . 0.0 111.05 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.62 ' N ' ' O ' ' B' ' 1' ' ' GLY . 97.7 mt-10 -62.04 -36.93 83.09 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.618 -0.433 . . . . 0.0 111.153 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.725 ' O ' HD23 ' B' ' 4' ' ' LEU . 4.5 tt -61.32 -39.72 91.54 Favored 'General case' 0 C--O 1.238 0.467 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.457 ' C ' ' OE1' ' B' ' 5' ' ' GLU . 8.0 tm-20 -62.41 -40.52 96.79 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 114.935 -1.03 . . . . 0.0 109.314 179.09 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 45.2 m -60.11 -39.58 86.68 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 178.636 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' B' ' 4' ' ' LEU . . . -62.83 -43.4 98.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.92 179.373 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 97.8 mtp -59.64 -41.34 90.3 Favored 'General case' 0 C--O 1.248 0.996 0 CA-C-O 121.906 0.86 . . . . 0.0 109.432 179.016 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -64.69 -36.78 85.38 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.128 178.298 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 45.5 m -63.63 -43.52 96.59 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 119.817 -0.753 . . . . 0.0 110.386 179.329 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 43.8 mt -61.9 -42.66 99.34 Favored 'General case' 0 C--O 1.242 0.673 0 C-N-CA 119.16 -1.016 . . . . 0.0 108.834 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 98.4 mt -61.97 -46.14 97.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 C-N-CA 119.697 -0.801 . . . . 0.0 111.465 178.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -61.65 -41.51 97.62 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 -178.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 14.3 m -73.41 -41.19 56.91 Favored 'Isoleucine or valine' 0 C--O 1.252 1.187 0 C-N-CA 119.217 -0.993 . . . . 0.0 111.6 -179.275 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 92.6 t80 -59.94 -47.99 83.53 Favored 'General case' 0 CA--C 1.51 -0.562 0 C-N-CA 118.974 -1.09 . . . . 0.0 109.848 177.511 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -63.31 -35.86 81.76 Favored 'General case' 0 CA--C 1.502 -0.887 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.97 178.252 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.587 ' O ' ' HB2' ' B' ' 21' ' ' LYS . . . -57.26 -51.45 69.3 Favored 'General case' 0 N--CA 1.435 -1.198 0 C-N-CA 118.902 -1.119 . . . . 0.0 109.865 -178.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.481 ' HB2' HD12 ' B' ' 36' ' ' LEU . 45.0 m80 -78.77 -53.17 7.4 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 114.595 1.332 . . . . 0.0 114.595 -179.728 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.486 ' OG ' ' O ' ' B' ' 25' ' ' LYS . 21.1 t -57.96 -42.94 86.02 Favored 'General case' 0 CA--C 1.52 -0.197 0 C-N-CA 118.477 -1.289 . . . . 0.0 108.982 -178.803 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.07 -45.87 78.12 Favored Glycine 0 C--N 1.346 1.088 0 O-C-N 124.23 0.956 . . . . 0.0 112.426 178.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.587 ' HB2' ' O ' ' B' ' 17' ' ' ALA . 6.4 ttpm? -60.04 -41.65 92.74 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 -178.775 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.488 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 77.3 mm-40 -128.82 149.49 50.72 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 113.747 1.017 . . . . 0.0 113.747 -179.52 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.7 -132.8 52.14 Favored Glycine 0 CA--C 1.524 0.621 0 CA-C-N 114.952 -1.022 . . . . 0.0 113.346 176.711 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -80.12 125.43 29.8 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 114.629 -0.786 . . . . 0.0 109.862 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.486 ' O ' ' OG ' ' B' ' 19' ' ' SER . 32.9 mtmt -58.07 -32.06 67.67 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.354 -0.839 . . . . 0.0 113.095 -177.222 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.61 ' OH ' ' CE2' ' A' ' 90' ' ' TRP . 84.0 m-85 -105.52 17.97 22.98 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.921 0.712 . . . . 0.0 112.921 -177.323 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 39.7 tptt -142.1 139.87 32.33 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 119.687 -0.805 . . . . 0.0 109.339 178.385 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 17.5 tp -106.95 128.88 54.72 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 -178.094 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 96.4 p -102.45 166.44 10.54 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.064 -178.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 22.3 ttpt -53.82 -48.38 69.96 Favored 'General case' 0 C--O 1.24 0.557 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -177.661 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.6 ' HG3' ' N ' ' B' ' 32' ' ' GLU . 56.0 pttt -60.37 -48.17 82.92 Favored 'General case' 0 N--CA 1.44 -0.929 0 C-N-CA 119.706 -0.798 . . . . 0.0 109.706 -178.354 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.6 ' N ' ' HG3' ' B' ' 31' ' ' LYS . 95.2 mt-10 -63.05 -50.41 70.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.321 -0.854 . . . . 0.0 112.476 -178.374 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.06 -36.09 78.67 Favored 'General case' 0 CA--C 1.499 -1.007 0 C-N-CA 118.448 -1.301 . . . . 0.0 110.142 -179.522 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 13.2 tptp -56.0 -36.45 67.93 Favored 'General case' 0 N--CA 1.434 -1.25 0 C-N-CA 118.208 -1.397 . . . . 0.0 108.085 178.626 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.889 ' O ' HG23 ' B' ' 39' ' ' THR . 97.4 mt-10 -74.59 -41.18 60.93 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 179.336 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.743 ' O ' HD23 ' B' ' 36' ' ' LEU . 4.2 tt -65.91 -44.96 83.67 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 119.866 -0.733 . . . . 0.0 111.475 -176.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.57 ' O ' ' O ' ' B' ' 41' ' ' LEU . 1.2 mm? -64.46 -43.1 95.28 Favored 'General case' 0 CA--C 1.52 -0.196 0 C-N-CA 118.728 -1.189 . . . . 0.0 110.752 179.63 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -63.02 -38.83 92.76 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.357 -0.537 . . . . 0.0 111.206 179.373 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.889 HG23 ' O ' ' B' ' 35' ' ' GLU . 58.8 p -71.06 -33.4 70.23 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.533 -0.467 . . . . 0.0 111.633 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.498 ' OE1' ' N ' ' A' ' 3' ' ' GLU . 78.4 mm-40 -102.21 -59.37 1.71 Allowed 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 -179.07 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.57 ' O ' ' O ' ' B' ' 37' ' ' LEU . 42.6 mt -99.2 141.61 31.75 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.253 0.549 . . . . 0.0 111.594 -178.615 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.473 ' OG ' ' N ' ' B' ' 43' ' ' GLY . 27.5 p -114.57 -61.36 1.76 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.496 179.504 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 43' ' ' GLY . . . . . 0.473 ' N ' ' OG ' ' B' ' 42' ' ' SER . . . -58.91 -39.34 93.91 Favored Glycine 0 CA--C 1.531 1.079 0 CA-C-N 115.872 -0.604 . . . . 0.0 113.983 -178.213 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -61.66 -51.95 66.33 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 117.976 0.888 . . . . 0.0 112.337 -178.162 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -73.27 -40.85 64.26 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 120.155 -0.618 . . . . 0.0 111.042 178.314 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -61.51 -33.59 74.07 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.622 -0.717 . . . . 0.0 112.088 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.48 -34.95 71.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 112.05 -177.585 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.498 ' C ' ' H ' ' B' ' 50' ' ' ASP . 93.9 mm-40 -61.69 -34.32 75.54 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.133 -0.627 . . . . 0.0 109.744 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 49.2 tttp 66.84 -31.03 0.16 Allowed 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.93 179.612 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 50' ' ' ASP . . . . . 0.498 ' H ' ' C ' ' B' ' 48' ' ' GLN . 87.8 m-20 -70.75 142.51 51.41 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.406 -0.518 . . . . 0.0 111.223 -179.816 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 4.7 m -72.75 -29.66 30.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.629 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -86.5 5.13 36.84 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.276 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.53 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -57.71 -38.77 75.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.86 -178.789 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.616 HG13 ' N ' ' B' ' 55' ' ' ASP . 7.0 p -59.65 -43.87 92.22 Favored 'Isoleucine or valine' 0 C--O 1.239 0.538 0 C-N-CA 119.808 -0.757 . . . . 0.0 109.994 179.277 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.616 ' N ' HG13 ' B' ' 54' ' ' VAL . 91.6 m-20 -61.71 -42.98 99.67 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.873 179.131 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -61.68 -38.99 89.84 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.349 178.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.53 HG23 ' O ' ' B' ' 53' ' ' ALA . 79.0 t -64.9 -44.33 96.21 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.832 -179.46 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.53 ' CE ' ' O ' ' B' ' 67' ' ' GLY . 0.0 OUTLIER -68.45 -33.07 73.54 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 113.742 1.016 . . . . 0.0 113.742 -178.947 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.606 ' NZ ' ' CB ' ' B' ' 59' ' ' LYS . 0.1 OUTLIER -59.34 -41.7 89.8 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -177.645 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -73.22 -37.02 66.57 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 119.716 -0.794 . . . . 0.0 111.061 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.438 ' O ' ' CD ' ' B' ' 73' ' ' GLU . 87.0 mt -67.72 -34.09 76.16 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 115.897 -0.592 . . . . 0.0 112.446 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.495 ' OD1' ' OD1' ' B' ' 66' ' ' ASP . 43.9 t0 -75.7 91.75 2.93 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 118.734 -1.186 . . . . 0.0 112.041 -177.618 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -65.67 -46.35 79.42 Favored 'General case' 0 CA--C 1.509 -0.634 0 CA-C-O 122.82 1.295 . . . . 0.0 110.99 176.213 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 31.4 m120 -59.18 -34.88 72.65 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-N 112.182 -2.281 . . . . 0.0 113.006 -178.049 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.443 ' C ' ' OD2' ' B' ' 62' ' ' ASP . . . 89.45 4.18 73.98 Favored Glycine 0 CA--C 1.528 0.89 0 N-CA-C 108.18 -1.968 . . . . 0.0 108.18 -176.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.647 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 49.7 p30 -61.73 -32.13 72.34 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 113.958 -1.121 . . . . 0.0 112.919 -179.675 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.647 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 98.85 -4.02 59.08 Favored Glycine 0 CA--C 1.521 0.417 0 N-CA-C 109.185 -1.566 . . . . 0.0 109.185 -178.332 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.521 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 54.2 mp0 -112.98 156.52 22.89 Favored 'General case' 0 C--O 1.243 0.717 0 CA-C-N 114.458 -0.871 . . . . 0.0 111.164 178.456 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 54.2 t -104.36 132.53 50.74 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 CA-C-N 115.08 -0.964 . . . . 0.0 108.626 178.081 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -98.9 159.2 15.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.072 0.463 . . . . 0.0 111.024 -178.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -50.71 -44.33 58.02 Favored 'General case' 0 C--O 1.22 -0.485 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.633 -178.473 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.419 ' HG2' HG21 ' A' ' 83' ' ' VAL . 94.1 mt-30 -61.73 -40.51 95.31 Favored 'General case' 0 C--O 1.244 0.791 0 C-N-CA 119.784 -0.766 . . . . 0.0 110.824 178.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.438 ' CD ' ' O ' ' B' ' 61' ' ' LEU . 92.7 mt-10 -64.99 -41.53 95.31 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-O 122.164 0.983 . . . . 0.0 109.931 179.791 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 74' ' ' TYR . . . . . 0.525 ' OH ' ' CD1' ' A' ' 4' ' ' LEU . 59.1 t80 -63.56 -40.98 98.37 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-N 114.518 -1.219 . . . . 0.0 109.913 178.734 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.613 HG13 ' HB1' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -61.47 -48.59 88.13 Favored 'Isoleucine or valine' 0 C--O 1.247 0.961 0 CA-C-N 113.708 -1.587 . . . . 0.0 110.27 -179.154 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.405 HG22 ' O ' ' B' ' 73' ' ' GLU . 13.3 m -67.49 -34.45 68.56 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 C-N-CA 118.093 -1.443 . . . . 0.0 109.241 178.809 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 54.0 tp -56.66 -52.99 62.79 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 119.415 -0.914 . . . . 0.0 112.293 178.543 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.487 HG11 HD11 ' A' ' 4' ' ' LEU . 31.9 m -70.34 -35.71 63.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 C-N-CA 118.832 -1.147 . . . . 0.0 111.945 -178.79 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.651 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . . . -68.96 -48.31 63.5 Favored 'General case' 0 C--O 1.249 1.053 0 C-N-CA 118.983 -1.087 . . . . 0.0 111.718 -179.537 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.09 -40.26 97.14 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 179.489 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 5.5 mp -65.34 -34.01 77.32 Favored 'General case' 0 C--O 1.218 -0.569 0 C-N-CA 119.237 -0.985 . . . . 0.0 109.77 176.616 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 39.3 m -62.98 -49.82 73.18 Favored 'General case' 0 C--O 1.244 0.771 0 C-N-CA 119.633 -0.827 . . . . 0.0 111.298 179.762 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.407 HG21 ' HG2' ' A' ' 72' ' ' GLN . 13.4 p -64.16 -39.23 84.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 C-N-CA 118.976 -1.09 . . . . 0.0 110.693 178.768 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.51 -29.74 70.42 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 121.116 0.484 . . . . 0.0 109.869 178.718 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 47.5 t -68.45 -54.49 16.67 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.554 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -56.16 -41.25 75.15 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 118.669 -1.213 . . . . 0.0 108.699 178.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -59.73 -37.98 80.45 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.955 178.112 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.518 ' O ' ' O ' ' B' ' 91' ' ' GLU . 67.7 t80 -63.81 -46.21 86.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.213 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -65.66 -54.27 29.83 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.431 -0.507 . . . . 0.0 112.028 -178.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.608 ' CE2' ' OH ' ' A' ' 26' ' ' TYR . 23.8 t-105 -65.14 -41.19 95.0 Favored 'General case' 0 CA--C 1.52 -0.197 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.588 ' OE1' ' N ' ' B' ' 92' ' ' ASN . 1.3 tm-20 -98.3 144.65 27.49 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.914 -177.812 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 92' ' ' ASN . . . . . 0.588 ' N ' ' OE1' ' B' ' 91' ' ' GLU . 86.1 m-20 -55.24 -34.36 63.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.903 -179.715 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 4.4 t . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 117.915 -1.041 . . . . 0.0 110.508 179.976 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 201' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 201' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.725 ' H2 ' ' CD ' ' B' ' 40' ' ' GLU . . . . . . . . 0 CA--C 1.525 0.671 0 N-CA-C 111.387 -0.685 . . . . 0.0 111.387 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.0 p -68.54 -17.42 64.15 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -179.481 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -59.27 -40.88 87.47 Favored 'General case' 0 C--O 1.237 0.427 0 N-CA-C 113.472 0.916 . . . . 0.0 113.472 -176.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.648 ' O ' HD23 ' A' ' 4' ' ' LEU . 2.1 tt -63.98 -42.43 97.24 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 118.069 -1.453 . . . . 0.0 107.89 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.602 ' OE2' HD22 ' B' ' 41' ' ' LEU . 72.0 mm-40 -66.15 -36.62 83.6 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.673 177.535 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 44.7 m -59.19 -42.07 90.02 Favored 'General case' 0 C--O 1.239 0.527 0 C-N-CA 119.475 -0.89 . . . . 0.0 108.925 179.241 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.31 -45.69 86.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.322 179.082 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 99.4 mtp -59.71 -41.02 89.9 Favored 'General case' 0 C--O 1.244 0.804 0 CA-C-O 121.453 0.644 . . . . 0.0 110.123 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -64.79 -36.62 84.9 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.731 177.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 55.3 m -63.64 -42.21 98.16 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 119.49 -0.884 . . . . 0.0 109.871 178.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 38.0 mt -59.55 -43.05 93.66 Favored 'General case' 0 C--O 1.24 0.566 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 98.3 mt -61.86 -45.49 98.58 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.12 0 CA-C-N 115.009 -0.996 . . . . 0.0 111.819 178.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -61.39 -41.34 96.95 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.551 0.575 . . . . 0.0 112.551 -178.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 16.0 m -72.81 -38.64 57.91 Favored 'Isoleucine or valine' 0 C--O 1.256 1.426 0 C-N-CA 118.701 -1.2 . . . . 0.0 110.107 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.739 ' HA ' ' CE1' ' A' ' 18' ' ' HIS . 89.1 t80 -60.94 -42.7 98.73 Favored 'General case' 0 C--N 1.349 0.563 0 CA-C-O 122.119 0.961 . . . . 0.0 110.131 177.144 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -67.57 -33.84 75.84 Favored 'General case' 0 N--CA 1.435 -1.219 0 C-N-CA 119.65 -0.82 . . . . 0.0 109.199 177.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.557 ' O ' ' HB2' ' A' ' 21' ' ' LYS . . . -59.63 -51.13 71.15 Favored 'General case' 0 N--CA 1.437 -1.121 0 C-N-CA 118.795 -1.162 . . . . 0.0 111.079 -178.697 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.739 ' CE1' ' HA ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -80.76 -49.11 11.57 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 117.127 -1.829 . . . . 0.0 113.753 179.864 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.49 ' OG ' ' O ' ' A' ' 25' ' ' LYS . 22.9 t -60.86 -41.0 95.06 Favored 'General case' 0 C--N 1.35 0.61 0 C-N-CA 118.318 -1.353 . . . . 0.0 109.542 -179.54 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.21 -45.18 62.56 Favored Glycine 0 C--N 1.343 0.937 0 O-C-N 123.976 0.798 . . . . 0.0 112.086 178.699 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.557 ' HB2' ' O ' ' A' ' 17' ' ' ALA . 6.1 ttpm? -59.43 -41.87 90.55 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.225 -0.59 . . . . 0.0 112.114 -179.399 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.439 ' C ' ' OE2' ' A' ' 32' ' ' GLU . 97.1 mt-10 -129.18 153.29 47.87 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 54.6 -146.05 26.97 Favored Glycine 0 N--CA 1.465 0.573 0 CA-C-N 115.551 -0.749 . . . . 0.0 112.461 177.577 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -71.07 138.04 49.45 Favored 'General case' 0 CA--C 1.52 -0.181 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 179.255 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.49 ' O ' ' OG ' ' A' ' 19' ' ' SER . 34.5 mtmt -61.26 -32.28 72.09 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 -178.269 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.617 ' OH ' ' CD2' ' B' ' 90' ' ' TRP . 97.6 m-85 -107.17 18.82 21.22 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 113.472 0.916 . . . . 0.0 113.472 -177.423 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.6 tptt -140.83 139.63 34.53 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 119.238 -0.985 . . . . 0.0 108.82 177.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.669 HD11 ' CD2' ' A' ' 18' ' ' HIS . 18.5 tp -112.46 132.02 55.27 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 111.979 0.362 . . . . 0.0 111.979 -176.847 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 91.7 p -102.76 164.71 11.47 Favored 'General case' 0 C--O 1.239 0.522 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 179.158 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.0 ttpt -53.51 -45.97 69.91 Favored 'General case' 0 C--O 1.243 0.72 0 CA-C-O 121.346 0.593 . . . . 0.0 111.941 -177.009 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.591 ' HG3' ' N ' ' A' ' 32' ' ' GLU . 55.1 pttt -59.29 -46.77 87.65 Favored 'General case' 0 N--CA 1.438 -1.067 0 C-N-CA 119.779 -0.769 . . . . 0.0 109.909 -178.651 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.591 ' N ' ' HG3' ' A' ' 31' ' ' LYS . 94.0 mt-10 -62.04 -49.23 76.85 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 119.619 -0.833 . . . . 0.0 111.815 -177.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.45 HD22 HG21 ' A' ' 69' ' ' VAL . 0.1 OUTLIER -58.48 -37.57 75.81 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 116.393 -2.123 . . . . 0.0 108.712 178.551 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.2 tptp -53.66 -36.59 62.29 Favored 'General case' 0 N--CA 1.441 -0.924 0 C-N-CA 117.934 -1.506 . . . . 0.0 108.227 -178.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.896 ' O ' HG23 ' A' ' 39' ' ' THR . 97.1 mt-10 -73.02 -43.44 62.1 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 120.093 -0.643 . . . . 0.0 112.289 178.678 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.829 ' O ' HD23 ' A' ' 36' ' ' LEU . 5.5 tt -68.06 -47.76 67.45 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 118.764 -1.174 . . . . 0.0 112.125 -177.587 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.549 ' O ' ' O ' ' A' ' 41' ' ' LEU . 1.8 mm? -59.09 -42.46 90.52 Favored 'General case' 0 CA--C 1.518 -0.251 0 C-N-CA 118.287 -1.365 . . . . 0.0 109.998 -178.656 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -64.53 -39.95 94.72 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.245 -0.582 . . . . 0.0 111.955 178.487 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.896 HG23 ' O ' ' A' ' 35' ' ' GLU . 60.0 p -70.32 -40.81 73.95 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 120.034 -0.666 . . . . 0.0 112.617 -178.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.745 ' CD ' ' H2 ' ' B' ' 1' ' ' GLY . 80.7 mm-40 -92.12 -50.88 5.45 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.593 HD22 ' OE2' ' B' ' 5' ' ' GLU . 26.1 mt -103.47 141.77 35.41 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-O 121.289 0.566 . . . . 0.0 112.014 -177.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.1 m -113.35 -65.41 1.19 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.243 178.352 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.15 -38.02 92.54 Favored Glycine 0 CA--C 1.533 1.17 0 CA-C-N 115.457 -0.792 . . . . 0.0 114.121 -178.683 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -59.92 -53.03 62.62 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 118.154 0.977 . . . . 0.0 112.393 -177.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -74.16 -37.23 64.07 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 120.517 -0.473 . . . . 0.0 111.564 178.325 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -59.06 -29.6 67.43 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.503 -179.621 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.21 -29.84 58.77 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.728 -177.586 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.2 mm-40 -92.46 118.42 30.94 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 119.482 -0.887 . . . . 0.0 109.854 179.561 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -63.31 -36.53 83.98 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 113.758 1.021 . . . . 0.0 113.758 -179.028 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -70.38 142.34 52.1 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 -177.431 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.4 m -74.03 -27.34 22.1 Favored 'Isoleucine or valine' 0 C--O 1.231 0.1 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.323 178.519 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -78.73 0.07 28.24 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.488 179.423 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.457 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -56.91 -37.25 71.17 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.262 -0.881 . . . . 0.0 109.994 -179.383 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.605 HG13 ' N ' ' A' ' 55' ' ' ASP . 8.0 p -60.19 -43.04 92.33 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 C-N-CA 119.802 -0.759 . . . . 0.0 109.768 178.72 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.605 ' N ' HG13 ' A' ' 54' ' ' VAL . 22.0 t70 -61.51 -42.39 98.73 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 179.062 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -61.68 -39.49 91.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.762 179.198 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 53' ' ' ALA . 77.1 t -65.68 -45.23 92.63 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 CA-C-N 116.081 -0.508 . . . . 0.0 112.077 -179.47 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.5 ppp? -66.62 -33.38 75.52 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 -177.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 29.1 mmtm -59.31 -39.86 84.39 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 118.871 -1.132 . . . . 0.0 110.423 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -64.08 -38.9 92.75 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.476 178.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 63.5 mt -67.89 -35.84 79.19 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-N 115.481 -0.782 . . . . 0.0 112.303 -178.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.487 ' CG ' ' H ' ' A' ' 65' ' ' GLY . 44.1 t0 -72.09 73.83 0.92 Allowed 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 118.414 -1.314 . . . . 0.0 110.577 -178.138 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -63.24 -37.83 88.79 Favored 'General case' 0 CA--C 1.497 -1.077 0 N-CA-C 106.986 -1.487 . . . . 0.0 106.986 175.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.475 ' OD1' ' CG ' ' A' ' 66' ' ' ASP . 18.1 t-20 -58.05 -39.8 79.35 Favored 'General case' 0 N--CA 1.43 -1.461 0 CA-C-N 111.583 -2.553 . . . . 0.0 111.289 178.51 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.487 ' H ' ' CG ' ' A' ' 62' ' ' ASP . . . 79.9 18.9 71.48 Favored Glycine 0 CA--C 1.53 0.99 0 CA-C-N 116.252 -0.431 . . . . 0.0 112.881 178.069 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.512 ' O ' ' OE1' ' A' ' 68' ' ' GLU . 54.9 p30 -89.59 2.29 54.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 117.487 0.644 . . . . 0.0 112.666 -179.543 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 87.68 -2.8 86.22 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.221 -1.152 . . . . 0.0 110.221 179.242 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.512 ' OE1' ' O ' ' A' ' 66' ' ' ASP . 51.5 mp0 -120.5 158.94 26.2 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.842 -0.679 . . . . 0.0 111.338 179.52 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.45 HG21 HD22 ' A' ' 33' ' ' LEU . 48.7 t -104.71 130.14 56.14 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 N-CA-C 106.724 -1.584 . . . . 0.0 106.724 176.34 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -101.84 161.72 13.45 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.226 0.536 . . . . 0.0 111.584 -177.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -50.26 -43.8 53.41 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-N 115.401 -0.818 . . . . 0.0 108.984 -178.559 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -61.76 -40.14 94.07 Favored 'General case' 0 C--O 1.245 0.833 0 C-N-CA 119.83 -0.748 . . . . 0.0 110.686 178.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.477 ' O ' HG22 ' A' ' 76' ' ' VAL . 74.2 mt-10 -64.69 -42.44 95.32 Favored 'General case' 0 C--O 1.242 0.705 0 CA-C-O 122.263 1.03 . . . . 0.0 109.85 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -63.12 -41.32 99.32 Favored 'General case' 0 C--O 1.241 0.623 0 CA-C-N 114.653 -1.158 . . . . 0.0 110.321 178.226 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.607 HG13 ' HB1' ' B' ' 79' ' ' ALA . 0.5 OUTLIER -59.94 -47.96 89.64 Favored 'Isoleucine or valine' 0 C--O 1.248 1.01 0 CA-C-N 113.623 -1.626 . . . . 0.0 109.967 -179.163 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.477 HG22 ' O ' ' A' ' 73' ' ' GLU . 15.5 m -67.27 -34.86 71.8 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.573 0 C-N-CA 117.804 -1.559 . . . . 0.0 109.386 178.566 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.572 ' O ' HD13 ' A' ' 81' ' ' LEU . 34.8 tp -56.56 -51.81 67.17 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 118.793 -1.163 . . . . 0.0 111.992 178.276 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 35.5 m -68.84 -36.27 73.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 118.316 -1.354 . . . . 0.0 111.738 -178.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.67 ' HB2' ' HB2' ' B' ' 79' ' ' ALA . . . -68.4 -47.8 66.38 Favored 'General case' 0 C--O 1.248 1.006 0 C-N-CA 119.064 -1.054 . . . . 0.0 111.991 -179.369 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.25 -40.07 96.4 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 179.456 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.572 HD13 ' O ' ' A' ' 77' ' ' LEU . 9.2 mp -64.36 -34.93 79.3 Favored 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 119.231 -0.988 . . . . 0.0 109.684 176.652 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 36.6 m -63.18 -49.84 72.69 Favored 'General case' 0 C--O 1.246 0.88 0 C-N-CA 119.853 -0.739 . . . . 0.0 111.638 179.665 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.43 ' O ' ' OD1' ' A' ' 87' ' ' ASN . 14.5 p -63.1 -39.21 84.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 118.956 -1.097 . . . . 0.0 110.29 178.697 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.44 -30.72 71.54 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 121.035 0.445 . . . . 0.0 110.041 178.631 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 5.5 t -67.13 -54.23 23.23 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.35 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 35.0 t30 -56.07 -41.29 74.89 Favored 'General case' 0 C--O 1.239 0.513 0 C-N-CA 118.703 -1.199 . . . . 0.0 108.777 179.048 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.715 ' O ' ' HB2' ' A' ' 91' ' ' GLU . 25.3 m120 -59.95 -41.69 92.4 Favored 'General case' 0 C--O 1.203 -1.366 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.203 178.374 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.549 ' O ' ' O ' ' A' ' 91' ' ' GLU . 68.0 t80 -64.32 -41.6 96.74 Favored 'General case' 0 C--N 1.302 -1.486 0 C-N-CA 118.214 -1.394 . . . . 0.0 111.096 179.357 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -64.91 -59.83 3.75 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 119.907 -0.717 . . . . 0.0 112.272 -178.342 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.615 ' CD2' ' OH ' ' B' ' 26' ' ' TYR . 21.2 t-105 -68.09 -42.59 80.12 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 119.898 -0.721 . . . . 0.0 111.777 179.184 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.715 ' HB2' ' O ' ' A' ' 87' ' ' ASN . 60.4 mm-40 -98.7 146.38 25.93 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.751 -1.113 . . . . 0.0 111.708 -179.068 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 40.9 p-10 -138.88 -178.07 5.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.461 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 33.4 m . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.545 179.973 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' GLY . . . . . 0.745 ' H2 ' ' CD ' ' A' ' 40' ' ' GLU . . . . . . . . 0 CA--C 1.525 0.706 0 N-CA-C 111.331 -0.708 . . . . 0.0 111.331 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 83.9 p -68.41 -17.53 64.24 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -179.506 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -59.26 -40.86 87.33 Favored 'General case' 0 C--O 1.238 0.461 0 N-CA-C 113.507 0.928 . . . . 0.0 113.507 -176.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.643 ' O ' HD23 ' B' ' 4' ' ' LEU . 2.1 tt -63.98 -42.47 97.22 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 118.027 -1.469 . . . . 0.0 107.906 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.593 ' OE2' HD22 ' A' ' 41' ' ' LEU . 72.1 mm-40 -66.01 -36.65 83.84 Favored 'General case' 0 C--O 1.22 -0.47 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.726 177.434 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 44.2 m -59.29 -41.83 89.86 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 119.469 -0.892 . . . . 0.0 108.888 179.301 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.55 -45.61 86.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.407 179.04 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 99.3 mtp -59.69 -41.02 89.79 Favored 'General case' 0 C--O 1.246 0.889 0 CA-C-O 121.429 0.633 . . . . 0.0 110.21 179.541 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -64.74 -37.32 87.2 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.619 178.01 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 54.0 m -62.84 -42.46 99.75 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 119.456 -0.898 . . . . 0.0 110.042 178.64 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 43.2 mt -59.48 -43.02 93.36 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.647 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 98.3 mt -61.71 -45.55 98.43 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.121 0 CA-C-N 115.006 -0.997 . . . . 0.0 111.796 178.752 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -61.35 -41.44 97.06 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 -178.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 16.0 m -72.83 -38.65 57.74 Favored 'Isoleucine or valine' 0 C--O 1.256 1.398 0 C-N-CA 118.723 -1.191 . . . . 0.0 110.112 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.599 ' O ' ' HD2' ' B' ' 18' ' ' HIS . 88.9 t80 -60.83 -42.79 98.41 Favored 'General case' 0 C--N 1.348 0.511 0 CA-C-O 122.192 0.996 . . . . 0.0 110.205 177.034 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -67.56 -33.84 75.86 Favored 'General case' 0 N--CA 1.435 -1.186 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.207 177.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.558 ' O ' ' HB2' ' B' ' 21' ' ' LYS . . . -59.7 -51.04 71.5 Favored 'General case' 0 N--CA 1.435 -1.184 0 C-N-CA 118.82 -1.152 . . . . 0.0 111.118 -178.707 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.599 ' HD2' ' O ' ' B' ' 15' ' ' PHE . 0.5 OUTLIER -80.77 -49.12 11.55 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 117.165 -1.814 . . . . 0.0 113.738 179.859 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.574 ' H ' ' CD2' ' B' ' 18' ' ' HIS . 23.2 t -60.89 -40.97 95.06 Favored 'General case' 0 C--N 1.349 0.586 0 C-N-CA 118.278 -1.369 . . . . 0.0 109.593 -179.552 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.26 -45.14 62.46 Favored Glycine 0 C--N 1.344 0.984 0 CA-C-N 115.524 -0.762 . . . . 0.0 112.037 178.694 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.558 ' HB2' ' O ' ' B' ' 17' ' ' ALA . 6.1 ttpm? -59.39 -41.96 90.6 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.214 -0.594 . . . . 0.0 112.074 -179.388 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.44 ' C ' ' OE2' ' B' ' 32' ' ' GLU . 97.2 mt-10 -129.09 153.36 47.72 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 54.45 -145.88 26.6 Favored Glycine 0 N--CA 1.465 0.602 0 CA-C-N 115.607 -0.724 . . . . 0.0 112.458 177.579 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -71.12 138.06 49.37 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 179.375 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.495 ' O ' ' OG ' ' B' ' 19' ' ' SER . 34.6 mtmt -61.36 -32.28 72.18 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -178.296 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.615 ' OH ' ' CD2' ' A' ' 90' ' ' TRP . 97.7 m-85 -107.09 18.76 21.33 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 -177.505 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 31.6 tptt -140.74 139.77 34.72 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 119.238 -0.985 . . . . 0.0 108.991 177.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.512 HD22 ' CE1' ' B' ' 18' ' ' HIS . 18.4 tp -112.57 132.0 55.34 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -176.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 91.7 p -102.78 164.8 11.42 Favored 'General case' 0 C--O 1.238 0.485 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 179.131 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 20.0 ttpt -53.69 -45.83 70.51 Favored 'General case' 0 C--O 1.243 0.75 0 CA-C-O 121.258 0.552 . . . . 0.0 111.947 -176.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.593 ' HG3' ' N ' ' B' ' 32' ' ' GLU . 55.1 pttt -59.39 -46.74 87.83 Favored 'General case' 0 N--CA 1.439 -1.022 0 C-N-CA 119.737 -0.785 . . . . 0.0 109.848 -178.665 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.593 ' N ' ' HG3' ' B' ' 31' ' ' LYS . 94.0 mt-10 -61.98 -49.24 76.86 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 119.656 -0.818 . . . . 0.0 111.802 -177.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.434 HD22 HG21 ' B' ' 69' ' ' VAL . 0.1 OUTLIER -58.51 -37.57 75.87 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 116.464 -2.094 . . . . 0.0 108.662 178.564 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 13.2 tptp -53.66 -36.62 62.32 Favored 'General case' 0 N--CA 1.441 -0.896 0 C-N-CA 117.944 -1.503 . . . . 0.0 108.227 -178.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.896 ' O ' HG23 ' B' ' 39' ' ' THR . 97.1 mt-10 -73.04 -43.39 62.08 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 120.062 -0.655 . . . . 0.0 112.28 178.692 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.835 ' O ' HD23 ' B' ' 36' ' ' LEU . 5.5 tt -68.15 -47.68 67.4 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 118.678 -1.209 . . . . 0.0 112.16 -177.567 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.55 ' O ' ' O ' ' B' ' 41' ' ' LEU . 1.8 mm? -58.97 -42.52 90.14 Favored 'General case' 0 CA--C 1.518 -0.254 0 C-N-CA 118.3 -1.36 . . . . 0.0 110.052 -178.79 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -64.59 -40.0 94.74 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.274 -0.57 . . . . 0.0 111.9 178.581 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.896 HG23 ' O ' ' B' ' 35' ' ' GLU . 59.5 p -70.25 -40.75 74.24 Favored 'General case' 0 N--CA 1.462 0.163 0 C-N-CA 119.955 -0.698 . . . . 0.0 112.635 -178.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.725 ' CD ' ' H2 ' ' A' ' 1' ' ' GLY . 80.7 mm-40 -92.17 -50.86 5.46 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.602 HD22 ' OE2' ' A' ' 5' ' ' GLU . 26.1 mt -103.41 141.68 35.55 Favored 'General case' 0 N--CA 1.461 0.09 0 CA-C-O 121.228 0.537 . . . . 0.0 112.079 -178.036 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.1 m -113.34 -65.33 1.2 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.217 178.322 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.12 -38.08 92.57 Favored Glycine 0 CA--C 1.533 1.191 0 CA-C-N 115.565 -0.743 . . . . 0.0 114.167 -178.681 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -59.91 -53.01 62.9 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 118.071 0.935 . . . . 0.0 112.379 -177.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -74.13 -37.31 64.12 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 120.578 -0.449 . . . . 0.0 111.538 178.305 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -59.07 -29.58 67.43 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.49 -179.585 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.21 -29.81 58.69 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.714 -177.602 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 89.2 mm-40 -92.5 118.41 30.95 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 119.589 -0.844 . . . . 0.0 109.768 179.625 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -63.4 -36.47 83.84 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 113.782 1.031 . . . . 0.0 113.782 -179.047 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -70.43 142.29 52.01 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.727 0.639 . . . . 0.0 112.727 -177.445 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 4.4 m -73.92 -27.38 22.4 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.373 178.519 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -78.68 -0.08 28.66 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.23 -0.895 . . . . 0.0 109.419 179.439 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.447 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -56.79 -37.3 70.93 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.07 -179.413 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.602 HG13 ' N ' ' B' ' 55' ' ' ASP . 7.9 p -60.1 -43.1 92.11 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.298 0 C-N-CA 119.828 -0.749 . . . . 0.0 109.816 178.675 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.602 ' N ' HG13 ' B' ' 54' ' ' VAL . 22.0 t70 -61.57 -42.35 98.72 Favored 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 179.106 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -61.69 -39.52 91.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.845 179.109 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.447 HG23 ' O ' ' B' ' 53' ' ' ALA . 76.6 t -65.63 -45.21 92.86 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 CA-C-N 116.068 -0.515 . . . . 0.0 112.137 -179.574 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 1.5 ppp? -66.59 -33.35 75.47 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 114.66 1.356 . . . . 0.0 114.66 -177.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 29.1 mmtm -59.4 -39.82 84.63 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 118.853 -1.139 . . . . 0.0 110.325 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -64.13 -38.82 92.45 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.116 0.484 . . . . 0.0 110.541 178.718 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 63.6 mt -67.91 -35.89 79.25 Favored 'General case' 0 CA--C 1.511 -0.552 0 CA-C-N 115.503 -0.772 . . . . 0.0 112.265 -178.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.493 ' CG ' ' H ' ' B' ' 65' ' ' GLY . 44.0 t0 -72.11 73.83 0.92 Allowed 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 118.386 -1.326 . . . . 0.0 110.616 -178.163 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -63.16 -37.83 88.76 Favored 'General case' 0 CA--C 1.498 -1.034 0 N-CA-C 107.027 -1.472 . . . . 0.0 107.027 175.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.479 ' OD1' ' OD2' ' B' ' 66' ' ' ASP . 18.1 t-20 -58.12 -39.76 79.51 Favored 'General case' 0 N--CA 1.43 -1.449 0 CA-C-N 111.555 -2.566 . . . . 0.0 111.234 178.532 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.493 ' H ' ' CG ' ' B' ' 62' ' ' ASP . . . 79.93 18.84 71.55 Favored Glycine 0 CA--C 1.53 0.996 0 C-N-CA 121.39 -0.433 . . . . 0.0 112.891 178.101 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.518 ' O ' ' OE1' ' B' ' 68' ' ' GLU . 54.7 p30 -89.59 2.39 54.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 117.499 0.649 . . . . 0.0 112.717 -179.559 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 87.62 -2.8 86.31 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.145 -1.182 . . . . 0.0 110.145 179.185 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.518 ' OE1' ' O ' ' B' ' 66' ' ' ASP . 51.7 mp0 -120.52 159.0 26.07 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.922 -0.639 . . . . 0.0 111.26 179.519 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.434 HG21 HD22 ' B' ' 33' ' ' LEU . 48.7 t -104.71 130.14 56.12 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.657 0 N-CA-C 106.791 -1.559 . . . . 0.0 106.791 176.316 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -101.37 161.63 13.49 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.126 0.488 . . . . 0.0 111.575 -177.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -50.4 -43.78 54.75 Favored 'General case' 0 C--O 1.219 -0.506 0 CA-C-N 115.484 -0.78 . . . . 0.0 108.937 -178.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -61.85 -40.07 94.05 Favored 'General case' 0 C--O 1.244 0.815 0 C-N-CA 119.708 -0.797 . . . . 0.0 110.684 178.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.472 ' O ' HG22 ' B' ' 76' ' ' VAL . 74.3 mt-10 -64.65 -42.42 95.43 Favored 'General case' 0 C--O 1.242 0.684 0 CA-C-O 122.181 0.991 . . . . 0.0 109.843 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -63.09 -41.39 99.38 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-N 114.677 -1.147 . . . . 0.0 110.288 178.268 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.62 HG13 ' HB1' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -59.95 -47.94 89.73 Favored 'Isoleucine or valine' 0 C--O 1.248 1.013 0 CA-C-N 113.645 -1.616 . . . . 0.0 109.886 -179.07 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.472 HG22 ' O ' ' B' ' 73' ' ' GLU . 15.8 m -67.34 -34.79 71.15 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.556 0 C-N-CA 117.836 -1.546 . . . . 0.0 109.357 178.647 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.576 ' O ' HD13 ' B' ' 81' ' ' LEU . 34.5 tp -56.6 -51.89 66.91 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 118.732 -1.187 . . . . 0.0 111.969 178.232 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 35.5 m -68.68 -36.37 74.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 C-N-CA 118.33 -1.348 . . . . 0.0 111.773 -178.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.67 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . . . -68.34 -47.92 66.21 Favored 'General case' 0 C--O 1.249 1.035 0 C-N-CA 119.137 -1.025 . . . . 0.0 111.933 -179.282 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.14 -40.11 96.63 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 179.457 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.576 HD13 ' O ' ' B' ' 77' ' ' LEU . 9.1 mp -64.33 -35.06 79.65 Favored 'General case' 0 N--CA 1.445 -0.708 0 C-N-CA 119.106 -1.038 . . . . 0.0 109.709 176.639 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 36.3 m -62.92 -49.88 73.05 Favored 'General case' 0 C--O 1.246 0.877 0 C-N-CA 119.849 -0.74 . . . . 0.0 111.699 179.696 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.442 ' O ' ' OD1' ' B' ' 87' ' ' ASN . 14.5 p -63.06 -39.27 84.57 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 119.029 -1.069 . . . . 0.0 110.321 178.688 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.48 -30.58 71.38 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-O 121.026 0.441 . . . . 0.0 110.049 178.583 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 5.5 t -67.23 -54.2 23.14 Favored 'General case' 0 CA--C 1.509 -0.623 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.341 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 35.0 t30 -56.09 -41.29 74.96 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 118.747 -1.181 . . . . 0.0 108.824 179.01 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 87' ' ' ASN . . . . . 0.714 ' O ' ' HB2' ' B' ' 91' ' ' GLU . 25.2 m120 -59.87 -41.79 92.3 Favored 'General case' 0 C--O 1.202 -1.443 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.19 178.337 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.559 ' O ' ' O ' ' B' ' 91' ' ' GLU . 67.9 t80 -64.24 -41.63 96.88 Favored 'General case' 0 C--N 1.302 -1.483 0 C-N-CA 118.183 -1.407 . . . . 0.0 111.135 179.35 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -64.95 -59.85 3.7 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 119.92 -0.712 . . . . 0.0 112.202 -178.303 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.617 ' CD2' ' OH ' ' A' ' 26' ' ' TYR . 21.1 t-105 -68.09 -42.57 80.16 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 119.935 -0.706 . . . . 0.0 111.816 179.169 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.714 ' HB2' ' O ' ' B' ' 87' ' ' ASN . 60.7 mm-40 -98.6 146.28 25.98 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 114.696 -1.138 . . . . 0.0 111.815 -179.132 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 40.9 p-10 -138.81 -178.09 5.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.512 179.701 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 33.5 m . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 118.028 -0.987 . . . . 0.0 110.599 179.897 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 201' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 201' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.55 ' O ' ' OE1' ' B' ' 40' ' ' GLU . . . . . . . . 0 CA--C 1.528 0.88 0 N-CA-C 110.826 -0.909 . . . . 0.0 110.826 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.4 p -66.66 -11.85 55.7 Favored 'General case' 0 C--N 1.317 -0.818 0 O-C-N 122.609 -0.348 . . . . 0.0 110.565 179.519 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -59.49 -38.83 81.92 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 113.585 0.957 . . . . 0.0 113.585 -177.26 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.598 ' O ' HD23 ' A' ' 4' ' ' LEU . 5.8 tt -64.05 -42.33 97.08 Favored 'General case' 0 C--O 1.244 0.774 0 C-N-CA 118.414 -1.314 . . . . 0.0 108.519 -179.69 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.454 ' OE1' ' C ' ' A' ' 5' ' ' GLU . 6.6 tm-20 -64.4 -40.42 95.75 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 114.643 -1.162 . . . . 0.0 109.57 179.575 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 44.9 m -60.07 -40.31 89.08 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.459 179.016 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.1 -44.43 92.32 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.157 179.632 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 97.7 mtp -58.53 -41.14 84.84 Favored 'General case' 0 C--O 1.25 1.08 0 CA-C-O 121.846 0.831 . . . . 0.0 109.204 178.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -65.2 -35.29 80.6 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.135 -0.939 . . . . 0.0 110.385 178.007 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 47.6 m -64.17 -43.26 95.68 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 119.847 -0.741 . . . . 0.0 110.029 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 40.4 mt -62.43 -42.86 99.76 Favored 'General case' 0 C--O 1.239 0.534 0 C-N-CA 119.378 -0.929 . . . . 0.0 109.092 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.2 -46.53 96.25 Favored 'Isoleucine or valine' 0 C--O 1.232 0.141 0 C-N-CA 119.873 -0.731 . . . . 0.0 111.54 178.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -61.92 -41.47 97.98 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 -178.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.1 m -73.72 -40.79 54.5 Favored 'Isoleucine or valine' 0 C--O 1.254 1.305 0 C-N-CA 119.104 -1.038 . . . . 0.0 111.399 -179.309 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -60.36 -47.23 86.96 Favored 'General case' 0 CA--C 1.508 -0.664 0 C-N-CA 119.458 -0.897 . . . . 0.0 109.51 177.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -64.79 -34.94 79.53 Favored 'General case' 0 CA--C 1.503 -0.854 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.218 178.105 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.54 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . -58.05 -52.36 65.86 Favored 'General case' 0 N--CA 1.436 -1.133 0 C-N-CA 118.749 -1.18 . . . . 0.0 110.039 -178.571 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.594 ' HA ' ' HZ1' ' A' ' 21' ' ' LYS . 17.0 m-70 -78.81 -49.03 13.66 Favored 'General case' 0 C--N 1.319 -0.748 0 C-N-CA 118.777 -1.169 . . . . 0.0 113.886 -179.681 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 46.9 t -58.31 -43.14 88.03 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 119.615 -0.834 . . . . 0.0 110.629 -179.111 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -75.35 -44.2 22.87 Favored Glycine 0 CA--C 1.526 0.723 0 C-N-CA 120.778 -0.725 . . . . 0.0 111.757 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.594 ' HZ1' ' HA ' ' A' ' 18' ' ' HIS . 7.2 ttpm? -59.21 -41.51 88.77 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 -178.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.604 ' OE2' ' NZ ' ' A' ' 31' ' ' LYS . 85.1 tt0 -124.32 141.56 51.97 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -177.72 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.48 -142.83 48.49 Favored Glycine 0 C--N 1.335 0.496 0 CA-C-N 114.936 -1.029 . . . . 0.0 112.548 178.145 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -70.3 146.02 50.86 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 115.12 -0.54 . . . . 0.0 109.841 179.52 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.6 mtmm -86.64 149.21 25.07 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 -179.558 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.534 ' OH ' ' CE3' ' B' ' 90' ' ' TRP . 89.2 m-85 61.22 13.39 4.78 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.4 tptt -138.25 131.34 30.04 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 106.327 -1.731 . . . . 0.0 106.327 175.096 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.5 tp -108.82 131.36 55.06 Favored 'General case' 0 C--O 1.213 -0.86 0 C-N-CA 120.312 -0.555 . . . . 0.0 110.327 -176.313 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.8 m -102.6 161.49 13.69 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.4 ttpm? -53.12 -46.88 68.94 Favored 'General case' 0 C--O 1.244 0.779 0 CA-C-O 121.571 0.701 . . . . 0.0 111.823 -177.392 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.604 ' NZ ' ' OE2' ' A' ' 22' ' ' GLU . 15.6 pttp -59.51 -47.18 86.52 Favored 'General case' 0 N--CA 1.437 -1.086 0 CA-C-N 115.318 -0.855 . . . . 0.0 109.961 -178.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.585 ' N ' ' HG3' ' A' ' 31' ' ' LYS . 95.5 mt-10 -63.52 -47.99 79.4 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 115.61 -0.723 . . . . 0.0 112.302 -178.821 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 pp -61.9 -34.18 75.57 Favored 'General case' 0 CA--C 1.499 -0.983 0 C-N-CA 118.472 -1.291 . . . . 0.0 109.855 -179.469 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.489 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 1.2 tptm -54.43 -37.09 64.73 Favored 'General case' 0 N--CA 1.437 -1.09 0 C-N-CA 117.567 -1.653 . . . . 0.0 107.986 177.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.702 ' O ' HG23 ' A' ' 39' ' ' THR . 96.8 mt-10 -75.08 -41.74 58.23 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 179.111 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.727 ' O ' HD23 ' A' ' 36' ' ' LEU . 1.6 tt -64.21 -45.65 87.32 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 120.057 -0.657 . . . . 0.0 111.27 -177.386 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.575 ' O ' ' O ' ' A' ' 41' ' ' LEU . 1.1 mm? -64.7 -43.35 93.77 Favored 'General case' 0 CA--C 1.519 -0.213 0 C-N-CA 119.03 -1.068 . . . . 0.0 111.31 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.489 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 25.8 mt-30 -63.22 -39.03 93.47 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.212 -0.595 . . . . 0.0 111.376 179.786 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.702 HG23 ' O ' ' A' ' 35' ' ' GLU . 76.6 p -72.63 -33.05 66.38 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.45 -0.5 . . . . 0.0 111.857 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.541 ' OE1' ' O ' ' B' ' 1' ' ' GLY . 76.3 mm-40 -100.23 -59.04 1.78 Allowed 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 -179.178 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.575 ' O ' ' O ' ' A' ' 37' ' ' LEU . 56.4 mt -100.82 141.45 33.68 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.346 0.593 . . . . 0.0 111.763 -178.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.2 m -112.24 -63.04 1.48 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.508 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.62 -38.83 92.4 Favored Glycine 0 CA--C 1.531 1.057 0 CA-C-N 115.777 -0.647 . . . . 0.0 114.169 -177.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.484 ' CZ ' ' SD ' ' A' ' 201' ' ' HCS . 89.3 m-85 -61.11 -52.11 66.27 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 118.082 0.941 . . . . 0.0 112.237 -178.108 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -74.08 -40.87 62.46 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 120.274 -0.57 . . . . 0.0 110.958 178.195 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -61.15 -33.75 73.9 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.615 -0.72 . . . . 0.0 112.12 -179.533 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.68 -34.3 71.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 112.014 -177.594 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.526 ' C ' ' H ' ' A' ' 50' ' ' ASP . 94.4 mm-40 -61.43 -34.4 75.33 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 120.153 -0.619 . . . . 0.0 109.874 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 85.4 tttt 65.27 -28.72 0.11 Allowed 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.819 179.551 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.526 ' H ' ' C ' ' A' ' 48' ' ' GLN . 87.8 m-20 -70.64 142.84 51.59 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.524 -0.47 . . . . 0.0 111.171 -179.746 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.7 m -72.57 -29.61 31.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.508 179.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -87.74 6.49 34.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.439 179.654 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.452 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -57.51 -39.96 77.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.768 -178.712 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.6 HG13 ' N ' ' A' ' 55' ' ' ASP . 8.1 p -60.45 -43.03 93.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 C-N-CA 119.807 -0.757 . . . . 0.0 110.091 178.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.6 ' N ' HG13 ' A' ' 54' ' ' VAL . 85.8 m-20 -61.15 -43.24 99.18 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.808 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -62.4 -40.04 95.19 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.967 179.291 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 53' ' ' ALA . 72.7 t -67.05 -47.9 80.74 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.215 0 N-CA-C 113.45 0.907 . . . . 0.0 113.45 -178.301 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.486 ' SD ' ' C ' ' A' ' 58' ' ' MET . 1.0 OUTLIER -70.89 -36.49 72.78 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 114.361 1.245 . . . . 0.0 114.361 -178.198 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 29.1 mmtm -60.51 -40.27 90.78 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 119.328 -0.949 . . . . 0.0 111.775 -179.371 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -64.35 -41.3 96.83 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.051 -0.659 . . . . 0.0 110.419 179.254 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.484 HD11 HD22 ' A' ' 77' ' ' LEU . 84.4 mt -68.83 -33.45 73.85 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.06 -0.973 . . . . 0.0 112.859 -179.576 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 51.0 t0 -72.72 84.67 1.19 Allowed 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 118.809 -1.156 . . . . 0.0 110.816 -177.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -63.14 -46.98 84.69 Favored 'General case' 0 CA--C 1.506 -0.749 0 CA-C-O 122.449 1.118 . . . . 0.0 111.085 177.233 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 31.9 m120 -59.03 -35.43 73.28 Favored 'General case' 0 C--N 1.3 -1.564 0 CA-C-N 112.842 -1.981 . . . . 0.0 111.321 -179.08 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 79.58 20.06 69.7 Favored Glycine 0 CA--C 1.519 0.335 0 N-CA-C 108.376 -1.89 . . . . 0.0 108.376 -177.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.513 ' O ' ' OE1' ' A' ' 68' ' ' GLU . 22.2 p-10 -86.64 1.8 50.61 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 112.675 0.621 . . . . 0.0 112.675 -178.329 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 85.06 -1.1 89.0 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.8 -0.92 . . . . 0.0 110.8 178.617 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.513 ' OE1' ' O ' ' A' ' 66' ' ' ASP . 53.4 mp0 -121.54 156.11 33.56 Favored 'General case' 0 C--O 1.239 0.531 0 CA-C-O 121.864 0.84 . . . . 0.0 111.754 179.48 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.0 t -107.08 132.03 55.54 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.759 0 N-CA-C 106.331 -1.729 . . . . 0.0 106.331 176.567 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.54 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 51.3 t0 -99.61 160.17 14.49 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.223 0.535 . . . . 0.0 111.621 -177.812 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.54 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 1.0 OUTLIER -50.15 -43.93 52.32 Favored 'General case' 0 C--O 1.217 -0.654 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.331 -178.427 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.413 ' HG2' HG21 ' B' ' 83' ' ' VAL . 94.4 mt-30 -61.62 -40.34 94.48 Favored 'General case' 0 C--O 1.247 0.932 0 C-N-CA 119.535 -0.866 . . . . 0.0 110.645 178.713 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.483 ' OE1' ' O ' ' A' ' 61' ' ' LEU . 85.1 mt-10 -64.71 -42.23 95.43 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-O 122.212 1.006 . . . . 0.0 109.925 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -63.64 -40.83 97.85 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-N 114.721 -1.127 . . . . 0.0 109.952 178.648 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.596 HG13 ' HB1' ' B' ' 79' ' ' ALA . 0.5 OUTLIER -60.71 -47.8 91.5 Favored 'Isoleucine or valine' 0 C--O 1.246 0.881 0 CA-C-N 113.872 -1.513 . . . . 0.0 109.842 -178.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.466 HG22 ' O ' ' A' ' 73' ' ' GLU . 15.0 m -67.65 -34.1 65.93 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.506 0 C-N-CA 117.786 -1.565 . . . . 0.0 109.177 178.547 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.484 HD22 HD11 ' A' ' 61' ' ' LEU . 53.1 tp -56.86 -52.29 65.71 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 119.013 -1.075 . . . . 0.0 112.319 178.371 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 35.0 m -70.18 -35.48 63.54 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.29 0 C-N-CA 118.735 -1.186 . . . . 0.0 111.761 -178.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.665 ' HB2' ' HB2' ' B' ' 79' ' ' ALA . . . -68.71 -47.57 66.03 Favored 'General case' 0 C--O 1.247 0.969 0 C-N-CA 119.073 -1.051 . . . . 0.0 111.692 -179.718 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.25 -40.35 97.18 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 179.491 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.8 mp -65.85 -33.88 76.87 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 119.277 -0.969 . . . . 0.0 109.818 176.625 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 40.2 m -62.88 -50.63 70.13 Favored 'General case' 0 C--O 1.245 0.827 0 C-N-CA 119.744 -0.782 . . . . 0.0 111.193 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.413 HG21 ' CG ' ' B' ' 72' ' ' GLN . 13.2 p -64.33 -38.4 82.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 C-N-CA 119.523 -0.871 . . . . 0.0 110.759 178.673 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.48 -31.46 72.55 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-O 121.193 0.521 . . . . 0.0 109.841 178.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 36.7 t -68.67 -55.11 12.51 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.912 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 26.2 t30 -56.56 -41.89 77.66 Favored 'General case' 0 C--O 1.239 0.502 0 C-N-CA 118.607 -1.237 . . . . 0.0 109.016 179.318 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -60.05 -37.9 81.21 Favored 'General case' 0 C--O 1.219 -0.523 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 178.355 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.523 ' O ' ' O ' ' A' ' 91' ' ' GLU . 67.4 t80 -62.36 -45.53 92.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.933 -179.733 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -66.43 -54.83 19.68 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 120.274 -0.571 . . . . 0.0 112.228 -179.186 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.488 ' CD1' ' C ' ' A' ' 90' ' ' TRP . 23.6 t-105 -64.6 -40.86 96.26 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.279 0.562 . . . . 0.0 112.49 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.57 ' OE1' ' N ' ' A' ' 92' ' ' ASN . 1.4 tm-20 -98.62 144.26 28.11 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.568 -177.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.57 ' N ' ' OE1' ' A' ' 91' ' ' GLU . 86.3 m-20 -55.28 -34.32 64.0 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.917 -0.313 . . . . 0.0 111.025 -179.649 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 95.5 p . . . . . 0 C--O 1.221 -0.417 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.488 179.979 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' GLY . . . . . 0.541 ' O ' ' OE1' ' A' ' 40' ' ' GLU . . . . . . . . 0 CA--C 1.526 0.768 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 81.8 p -66.81 -11.77 56.46 Favored 'General case' 0 C--N 1.319 -0.745 0 O-C-N 122.509 -0.406 . . . . 0.0 110.521 179.529 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -59.67 -38.73 82.31 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 -177.227 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.588 ' O ' HD23 ' B' ' 4' ' ' LEU . 5.7 tt -63.95 -42.45 97.31 Favored 'General case' 0 C--O 1.243 0.749 0 C-N-CA 118.493 -1.283 . . . . 0.0 108.533 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.455 ' C ' ' OE1' ' B' ' 5' ' ' GLU . 6.6 tm-20 -64.41 -40.36 95.62 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 114.596 -1.184 . . . . 0.0 109.602 179.584 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 44.9 m -60.15 -40.17 88.9 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.494 178.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.14 -44.43 92.16 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.123 179.607 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 97.7 mtp -58.63 -41.18 85.38 Favored 'General case' 0 C--O 1.25 1.092 0 CA-C-O 121.844 0.83 . . . . 0.0 109.18 178.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -65.12 -36.17 83.44 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.285 178.086 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 43.7 m -63.01 -43.67 98.13 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 119.944 -0.702 . . . . 0.0 110.23 179.417 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 46.4 mt -62.49 -42.8 99.74 Favored 'General case' 0 C--O 1.238 0.493 0 C-N-CA 119.491 -0.883 . . . . 0.0 109.031 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.06 -46.55 96.22 Favored 'Isoleucine or valine' 0 C--O 1.231 0.127 0 C-N-CA 119.852 -0.739 . . . . 0.0 111.613 178.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -61.94 -41.48 98.01 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -178.754 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 17.1 m -73.74 -40.84 54.4 Favored 'Isoleucine or valine' 0 C--O 1.253 1.257 0 C-N-CA 119.037 -1.065 . . . . 0.0 111.391 -179.327 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -60.18 -47.37 86.25 Favored 'General case' 0 CA--C 1.508 -0.663 0 C-N-CA 119.445 -0.902 . . . . 0.0 109.553 177.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -64.69 -34.95 79.51 Favored 'General case' 0 CA--C 1.502 -0.868 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.331 178.128 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.543 ' O ' ' CB ' ' B' ' 21' ' ' LYS . . . -58.03 -52.32 66.01 Favored 'General case' 0 N--CA 1.436 -1.151 0 C-N-CA 118.697 -1.201 . . . . 0.0 110.138 -178.682 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.604 ' HA ' ' HZ1' ' B' ' 21' ' ' LYS . 16.7 m-70 -78.8 -49.14 13.48 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 118.791 -1.163 . . . . 0.0 113.78 -179.684 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 46.9 t -58.25 -43.14 87.72 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 119.55 -0.86 . . . . 0.0 110.725 -179.125 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -75.38 -44.1 22.99 Favored Glycine 0 CA--C 1.527 0.824 0 C-N-CA 120.742 -0.742 . . . . 0.0 111.784 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.604 ' HZ1' ' HA ' ' B' ' 18' ' ' HIS . 7.2 ttpm? -59.3 -41.43 88.99 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 -178.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.604 ' OE2' ' NZ ' ' B' ' 31' ' ' LYS . 85.1 tt0 -124.31 141.67 51.89 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 113.172 0.804 . . . . 0.0 113.172 -177.798 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.4 -142.84 48.51 Favored Glycine 0 N--CA 1.464 0.509 0 CA-C-N 114.881 -1.054 . . . . 0.0 112.53 178.107 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -70.27 145.86 51.01 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 115.119 -0.54 . . . . 0.0 109.868 179.562 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 27.6 mtmm -86.45 149.27 25.1 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 -179.592 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.441 ' OH ' ' CE3' ' A' ' 90' ' ' TRP . 88.9 m-85 61.13 13.41 4.7 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.222 0.452 . . . . 0.0 112.222 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 30.0 tptt -138.21 131.61 30.56 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 106.345 -1.724 . . . . 0.0 106.345 175.13 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 14.4 tp -108.99 131.26 55.23 Favored 'General case' 0 C--O 1.213 -0.851 0 C-N-CA 120.327 -0.549 . . . . 0.0 110.439 -176.464 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 71.2 m -102.65 161.47 13.71 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 5.4 ttpm? -53.03 -46.98 68.68 Favored 'General case' 0 C--O 1.245 0.824 0 CA-C-O 121.579 0.704 . . . . 0.0 111.765 -177.343 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.604 ' NZ ' ' OE2' ' B' ' 22' ' ' GLU . 15.6 pttp -59.52 -47.15 86.64 Favored 'General case' 0 N--CA 1.438 -1.057 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.898 -178.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.584 ' N ' ' HG3' ' B' ' 31' ' ' LYS . 95.5 mt-10 -63.51 -47.96 79.54 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.641 -0.708 . . . . 0.0 112.333 -178.838 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 pp -61.9 -34.16 75.54 Favored 'General case' 0 CA--C 1.498 -1.033 0 C-N-CA 118.523 -1.271 . . . . 0.0 109.931 -179.514 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.5 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 1.2 tptm -54.44 -37.14 64.81 Favored 'General case' 0 N--CA 1.437 -1.119 0 C-N-CA 117.65 -1.62 . . . . 0.0 107.938 177.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.705 ' O ' HG23 ' B' ' 39' ' ' THR . 96.9 mt-10 -75.08 -41.75 58.17 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 179.135 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.731 ' O ' HD23 ' B' ' 36' ' ' LEU . 1.7 tt -64.26 -45.59 87.42 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 120.018 -0.673 . . . . 0.0 111.212 -177.356 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.572 ' O ' ' O ' ' B' ' 41' ' ' LEU . 1.1 mm? -64.68 -43.47 93.44 Favored 'General case' 0 N--CA 1.462 0.166 0 C-N-CA 118.978 -1.089 . . . . 0.0 111.297 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.5 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 25.8 mt-30 -63.1 -39.05 93.56 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.144 -0.623 . . . . 0.0 111.491 179.741 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.705 HG23 ' O ' ' B' ' 35' ' ' GLU . 74.5 p -72.57 -33.12 66.54 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.365 -0.534 . . . . 0.0 111.916 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.55 ' OE1' ' O ' ' A' ' 1' ' ' GLY . 76.3 mm-40 -100.17 -58.94 1.8 Allowed 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 -179.251 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.572 ' O ' ' O ' ' B' ' 37' ' ' LEU . 56.6 mt -100.89 141.42 33.8 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 121.337 0.589 . . . . 0.0 111.774 -178.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.2 m -112.25 -63.12 1.47 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.514 179.642 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.56 -38.88 92.34 Favored Glycine 0 CA--C 1.53 1.005 0 CA-C-N 115.754 -0.657 . . . . 0.0 114.191 -178.021 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.484 ' CZ ' ' SD ' ' B' ' 201' ' ' HCS . 89.1 m-85 -61.09 -52.05 66.54 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 118.099 0.95 . . . . 0.0 112.269 -178.116 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -74.13 -40.74 62.44 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 120.182 -0.607 . . . . 0.0 110.995 178.204 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -61.21 -33.82 74.09 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.622 -0.717 . . . . 0.0 112.01 -179.529 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.6 -34.44 71.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.967 -177.578 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.537 ' C ' ' H ' ' B' ' 50' ' ' ASP . 94.4 mm-40 -61.42 -34.43 75.37 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.191 -0.604 . . . . 0.0 109.782 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 85.4 tttt 65.28 -28.8 0.11 Allowed 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.87 179.611 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 50' ' ' ASP . . . . . 0.537 ' H ' ' C ' ' B' ' 48' ' ' GLN . 87.8 m-20 -70.56 142.82 51.74 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.422 -0.511 . . . . 0.0 111.26 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 4.7 m -72.55 -29.66 31.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.456 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -87.69 6.54 34.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.414 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.447 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -57.62 -39.94 78.05 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.72 -178.679 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.604 HG13 ' N ' ' B' ' 55' ' ' ASP . 8.1 p -60.47 -43.03 93.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 C-N-CA 119.867 -0.733 . . . . 0.0 110.071 179.001 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.604 ' N ' HG13 ' B' ' 54' ' ' VAL . 85.7 m-20 -61.08 -43.33 99.05 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.551 -0.749 . . . . 0.0 109.765 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -62.51 -39.83 94.79 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.964 179.434 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.447 HG23 ' O ' ' B' ' 53' ' ' ALA . 72.7 t -67.13 -47.84 80.57 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.27 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -178.334 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.485 ' C ' ' SD ' ' B' ' 58' ' ' MET . 1.0 OUTLIER -70.95 -36.39 72.56 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 114.364 1.246 . . . . 0.0 114.364 -178.229 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 29.2 mmtm -60.59 -40.27 91.15 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 119.372 -0.931 . . . . 0.0 111.778 -179.343 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -64.32 -41.35 96.87 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.041 -0.663 . . . . 0.0 110.499 179.17 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.504 HD11 HD22 ' B' ' 77' ' ' LEU . 84.4 mt -68.73 -33.46 73.96 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.095 -0.957 . . . . 0.0 112.927 -179.701 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 51.0 t0 -72.74 84.65 1.19 Allowed 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 118.783 -1.167 . . . . 0.0 110.86 -177.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -63.08 -47.02 84.66 Favored 'General case' 0 CA--C 1.505 -0.759 0 CA-C-O 122.491 1.139 . . . . 0.0 111.127 177.214 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 32.0 m120 -58.93 -35.5 73.21 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-N 112.813 -1.994 . . . . 0.0 111.354 -179.173 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 79.57 20.04 69.76 Favored Glycine 0 CA--C 1.519 0.34 0 N-CA-C 108.404 -1.878 . . . . 0.0 108.404 -177.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.522 ' O ' ' OE1' ' B' ' 68' ' ' GLU . 22.2 p-10 -86.52 1.76 50.42 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -178.399 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 85.15 -1.31 88.78 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.807 -0.917 . . . . 0.0 110.807 178.66 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.522 ' OE1' ' O ' ' B' ' 66' ' ' ASP . 53.4 mp0 -121.48 156.21 33.27 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-O 121.953 0.882 . . . . 0.0 111.726 179.465 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 35.7 t -107.06 131.98 55.64 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.753 0 N-CA-C 106.412 -1.699 . . . . 0.0 106.412 176.593 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.547 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 50.0 t0 -99.05 160.08 14.51 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.077 0.465 . . . . 0.0 111.668 -177.788 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.547 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 1.0 OUTLIER -50.32 -43.93 54.05 Favored 'General case' 0 C--O 1.217 -0.651 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.233 -178.775 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.413 ' CG ' HG21 ' A' ' 83' ' ' VAL . 94.4 mt-30 -61.57 -40.5 94.95 Favored 'General case' 0 C--O 1.246 0.907 0 C-N-CA 119.617 -0.833 . . . . 0.0 110.599 178.74 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.484 ' OE1' ' O ' ' B' ' 61' ' ' LEU . 85.2 mt-10 -64.67 -42.2 95.54 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-O 122.176 0.989 . . . . 0.0 109.9 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -63.69 -40.6 97.21 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 114.72 -1.127 . . . . 0.0 110.081 178.605 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.609 HG13 ' HB1' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -60.86 -47.82 91.64 Favored 'Isoleucine or valine' 0 C--O 1.246 0.915 0 CA-C-N 113.792 -1.549 . . . . 0.0 109.813 -179.036 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.463 HG22 ' O ' ' B' ' 73' ' ' GLU . 14.9 m -67.59 -34.1 66.13 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.529 0 C-N-CA 117.805 -1.558 . . . . 0.0 109.218 178.522 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.504 HD22 HD11 ' B' ' 61' ' ' LEU . 53.0 tp -56.89 -52.19 66.14 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 119.064 -1.054 . . . . 0.0 112.341 178.406 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 35.0 m -70.35 -35.34 62.06 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.262 0 C-N-CA 118.735 -1.186 . . . . 0.0 111.686 -178.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.665 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . . . -68.9 -47.45 65.8 Favored 'General case' 0 C--O 1.247 0.933 0 C-N-CA 119.005 -1.078 . . . . 0.0 111.641 -179.659 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.38 -40.24 96.69 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 5.7 mp -65.76 -33.98 77.11 Favored 'General case' 0 C--O 1.22 -0.458 0 C-N-CA 119.265 -0.974 . . . . 0.0 109.876 176.522 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 39.5 m -62.79 -50.66 70.15 Favored 'General case' 0 C--O 1.244 0.785 0 C-N-CA 119.763 -0.775 . . . . 0.0 111.145 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.413 HG21 ' HG2' ' A' ' 72' ' ' GLN . 13.3 p -64.35 -38.5 82.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.575 0 C-N-CA 119.526 -0.87 . . . . 0.0 110.714 178.729 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.27 -31.48 72.65 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 121.229 0.537 . . . . 0.0 109.96 178.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 36.8 t -68.73 -55.19 12.15 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.887 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -56.5 -41.88 77.43 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 118.646 -1.221 . . . . 0.0 109.08 179.262 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -60.03 -37.98 81.35 Favored 'General case' 0 C--O 1.219 -0.521 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 178.309 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.525 ' O ' ' O ' ' B' ' 91' ' ' GLU . 67.4 t80 -62.31 -45.65 92.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.869 -179.699 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -66.34 -54.92 18.94 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 120.298 -0.561 . . . . 0.0 112.167 -179.125 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.534 ' CE3' ' OH ' ' A' ' 26' ' ' TYR . 23.5 t-105 -64.53 -40.99 96.63 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.318 0.58 . . . . 0.0 112.501 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.589 ' OE1' ' N ' ' B' ' 92' ' ' ASN . 1.4 tm-20 -98.51 144.27 28.03 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.553 -177.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 92' ' ' ASN . . . . . 0.589 ' N ' ' OE1' ' B' ' 91' ' ' GLU . 86.4 m-20 -55.27 -34.44 64.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.703 0.287 . . . . 0.0 110.962 -179.673 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 95.6 p . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.08 -0.962 . . . . 0.0 110.439 179.977 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 201' ' ' HCS . . . . . 0.484 ' SD ' ' CZ ' ' A' ' 44' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 201' ' ' HCS . . . . . 0.484 ' SD ' ' CZ ' ' B' ' 44' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.566 ' O ' ' OE1' ' B' ' 40' ' ' GLU . . . . . . . . 0 CA--C 1.524 0.621 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.0 p -67.88 -18.62 64.86 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.699 -0.25 . . . . 0.0 111.457 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -59.82 -40.88 89.94 Favored 'General case' 0 C--O 1.237 0.438 0 N-CA-C 113.484 0.92 . . . . 0.0 113.484 -176.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.646 ' O ' HD23 ' A' ' 4' ' ' LEU . 2.1 tt -63.42 -42.52 98.73 Favored 'General case' 0 C--O 1.24 0.569 0 C-N-CA 117.976 -1.49 . . . . 0.0 108.032 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.604 ' OE2' HD22 ' B' ' 41' ' ' LEU . 72.1 mm-40 -66.16 -36.85 84.19 Favored 'General case' 0 C--O 1.219 -0.513 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.92 177.499 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 44.4 m -59.0 -42.04 89.13 Favored 'General case' 0 C--O 1.24 0.557 0 C-N-CA 119.432 -0.907 . . . . 0.0 108.877 179.285 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.29 -46.08 85.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.312 179.189 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 99.4 mtp -59.68 -40.95 89.53 Favored 'General case' 0 C--O 1.245 0.868 0 CA-C-O 121.401 0.62 . . . . 0.0 110.322 179.679 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.83 -36.6 84.85 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.711 177.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 58.7 m -63.78 -42.23 97.79 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 119.448 -0.901 . . . . 0.0 110.026 178.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 38.2 mt -59.34 -43.14 92.8 Favored 'General case' 0 C--O 1.239 0.53 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 179.647 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 98.0 mt -61.79 -45.59 98.36 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.112 0 CA-C-N 114.873 -1.058 . . . . 0.0 111.84 178.731 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -61.33 -41.41 96.98 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -178.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.4 m -72.79 -38.98 58.87 Favored 'Isoleucine or valine' 0 C--O 1.255 1.378 0 C-N-CA 118.831 -1.148 . . . . 0.0 110.413 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.601 ' O ' ' HD2' ' A' ' 18' ' ' HIS . 88.8 t80 -60.76 -42.44 97.46 Favored 'General case' 0 C--N 1.348 0.539 0 C-N-CA 119.184 -1.007 . . . . 0.0 109.873 177.063 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -67.62 -33.89 75.89 Favored 'General case' 0 C--N 1.309 -1.179 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.185 178.024 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.57 ' O ' ' HB2' ' A' ' 21' ' ' LYS . . . -59.88 -50.77 72.46 Favored 'General case' 0 N--CA 1.437 -1.109 0 C-N-CA 118.834 -1.146 . . . . 0.0 111.056 -178.677 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.601 ' HD2' ' O ' ' A' ' 15' ' ' PHE . 0.5 OUTLIER -80.74 -49.21 11.45 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 117.177 -1.809 . . . . 0.0 113.7 179.909 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.563 ' H ' ' CD2' ' A' ' 18' ' ' HIS . 22.9 t -60.58 -41.17 94.11 Favored 'General case' 0 C--N 1.352 0.702 0 C-N-CA 118.454 -1.298 . . . . 0.0 109.473 -179.707 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -70.0 -43.92 63.28 Favored Glycine 0 C--N 1.343 0.948 0 CA-C-N 115.518 -0.764 . . . . 0.0 112.15 178.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.57 ' HB2' ' O ' ' A' ' 17' ' ' ALA . 5.8 ttpm? -59.04 -42.25 89.81 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 119.978 -0.689 . . . . 0.0 111.619 -179.581 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.432 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 97.1 mt-10 -129.46 151.77 49.73 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 112.824 0.676 . . . . 0.0 112.824 179.37 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.08 -148.98 31.7 Favored Glycine 0 CA--C 1.523 0.565 0 CA-C-N 115.707 -0.679 . . . . 0.0 112.305 177.649 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -70.9 139.91 50.88 Favored 'General case' 0 C--O 1.234 0.252 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 179.185 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.487 ' O ' ' OG ' ' A' ' 19' ' ' SER . 36.4 mtmt -60.96 -31.75 71.3 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.141 -178.447 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.612 ' OH ' ' CD2' ' B' ' 90' ' ' TRP . 98.2 m-85 -106.5 19.57 20.3 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 -177.46 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.8 tptt -138.47 138.12 37.8 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 119.105 -1.038 . . . . 0.0 108.814 178.65 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.506 HD11 ' ND1' ' A' ' 18' ' ' HIS . 18.4 tp -112.37 131.66 55.42 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.345 -0.542 . . . . 0.0 111.522 -177.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.4 t -103.21 159.98 15.06 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.744 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.1 ttpt -52.1 -44.12 64.27 Favored 'General case' 0 C--O 1.239 0.542 0 C-N-CA 120.227 -0.589 . . . . 0.0 111.122 -178.169 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.584 ' CG ' ' N ' ' A' ' 32' ' ' GLU . 56.4 pttt -58.89 -46.79 87.0 Favored 'General case' 0 N--CA 1.438 -1.04 0 C-N-CA 119.901 -0.72 . . . . 0.0 109.471 -178.749 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.584 ' N ' ' CG ' ' A' ' 31' ' ' LYS . 92.4 mt-10 -62.68 -50.17 72.21 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 119.826 -0.75 . . . . 0.0 112.0 -177.749 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.13 -37.08 76.37 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 116.806 -1.958 . . . . 0.0 109.11 178.84 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.474 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 0.8 OUTLIER -53.56 -36.59 62.03 Favored 'General case' 0 N--CA 1.44 -0.948 0 C-N-CA 118.192 -1.403 . . . . 0.0 108.039 -179.531 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.891 ' O ' HG23 ' A' ' 39' ' ' THR . 97.0 mt-10 -74.1 -43.61 56.98 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 178.612 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.826 ' O ' HD23 ' A' ' 36' ' ' LEU . 5.4 tt -67.91 -48.0 67.2 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 118.728 -1.189 . . . . 0.0 112.425 -177.116 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.54 ' O ' ' O ' ' A' ' 41' ' ' LEU . 1.5 mm? -59.36 -42.32 91.31 Favored 'General case' 0 CA--C 1.518 -0.283 0 C-N-CA 118.264 -1.375 . . . . 0.0 109.998 -178.776 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.474 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 25.6 mt-30 -64.62 -39.94 94.61 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.421 -0.512 . . . . 0.0 111.768 179.007 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.891 HG23 ' O ' ' A' ' 35' ' ' GLU . 59.3 p -71.04 -41.15 71.17 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -179.049 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.557 ' OE1' ' O ' ' B' ' 1' ' ' GLY . 81.2 mm-40 -91.44 -49.63 6.23 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 120.494 -0.482 . . . . 0.0 112.249 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.595 HD22 ' OE2' ' B' ' 5' ' ' GLU . 28.7 mt -103.71 141.69 35.63 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 121.184 0.516 . . . . 0.0 111.997 -178.325 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.1 m -113.66 -65.45 1.18 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.029 178.337 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.78 -38.29 91.8 Favored Glycine 0 CA--C 1.532 1.138 0 CA-C-N 115.537 -0.756 . . . . 0.0 114.136 -178.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -60.44 -53.34 58.76 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 118.113 0.956 . . . . 0.0 112.379 -177.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -74.08 -38.88 63.78 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 120.429 -0.508 . . . . 0.0 111.094 178.072 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -59.6 -30.2 68.51 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.14 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.13 -31.43 61.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.122 -177.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -95.84 115.76 27.91 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 119.561 -0.856 . . . . 0.0 109.067 178.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -63.22 -39.13 93.74 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 114.004 1.112 . . . . 0.0 114.004 -178.67 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -69.69 142.53 53.34 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.041 0.756 . . . . 0.0 113.041 -177.027 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.561 ' O ' HG12 ' A' ' 54' ' ' VAL . 4.8 m -72.23 -27.67 27.23 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.201 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 177.429 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -61.06 -23.55 65.54 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 114.06 -1.427 . . . . 0.0 109.146 178.072 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.408 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -51.91 -37.56 52.95 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.735 -177.828 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.561 HG12 ' O ' ' A' ' 51' ' ' VAL . 10.8 p -59.97 -43.26 92.01 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 C-N-CA 119.303 -0.959 . . . . 0.0 109.8 178.318 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.559 ' N ' HG13 ' A' ' 54' ' ' VAL . 91.3 m-20 -61.29 -42.37 98.54 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 120.134 -0.627 . . . . 0.0 109.344 179.123 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 41.6 mttp -60.76 -38.98 87.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.211 179.344 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 53' ' ' ALA . 78.1 t -66.4 -46.1 87.63 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.455 0 CA-C-N 115.932 -0.576 . . . . 0.0 112.515 -179.347 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -72.42 -34.95 68.21 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 114.996 1.48 . . . . 0.0 114.996 -178.421 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.9 mmtm -59.95 -39.65 86.32 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 119.636 -0.826 . . . . 0.0 112.953 -178.552 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -70.09 -35.33 74.1 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 119.335 -0.946 . . . . 0.0 109.854 179.503 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 63' ' ' GLU . 91.3 mt -67.42 -35.45 79.29 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-N 115.754 -0.657 . . . . 0.0 112.113 179.478 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.425 ' CG ' ' H ' ' A' ' 65' ' ' GLY . 45.1 t0 -71.32 73.85 0.71 Allowed 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 118.34 -1.344 . . . . 0.0 109.945 -179.084 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 61' ' ' LEU . 87.7 tt0 -63.54 -38.09 89.79 Favored 'General case' 0 CA--C 1.498 -1.053 0 CA-C-O 123.072 1.415 . . . . 0.0 107.35 176.539 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.485 ' OD1' ' OD2' ' A' ' 66' ' ' ASP . 16.7 t-20 -57.98 -39.64 78.69 Favored 'General case' 0 N--CA 1.429 -1.503 0 CA-C-N 111.607 -2.542 . . . . 0.0 111.331 178.713 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.425 ' H ' ' CG ' ' A' ' 62' ' ' ASP . . . 79.76 19.06 71.5 Favored Glycine 0 CA--C 1.53 0.987 0 C-N-CA 121.345 -0.455 . . . . 0.0 112.749 178.103 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.51 ' O ' ' OE1' ' A' ' 68' ' ' GLU . 54.8 p30 -89.15 2.12 54.63 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -179.61 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 87.52 -3.65 86.28 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 110.146 -1.182 . . . . 0.0 110.146 179.249 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.51 ' OE1' ' O ' ' A' ' 66' ' ' ASP . 53.3 mp0 -120.54 159.95 24.17 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.959 -0.62 . . . . 0.0 110.635 179.459 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.427 ' HA ' ' OE1' ' A' ' 73' ' ' GLU . 61.9 t -105.58 130.9 56.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 106.477 -1.675 . . . . 0.0 106.477 176.346 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.497 ' C ' ' OD1' ' A' ' 70' ' ' ASP . 17.2 p30 -101.45 170.66 8.06 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 119.279 -0.968 . . . . 0.0 110.246 -178.016 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -53.63 -44.45 69.53 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.962 -178.647 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -61.58 -39.98 93.12 Favored 'General case' 0 C--O 1.246 0.89 0 C-N-CA 120.054 -0.658 . . . . 0.0 111.204 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.475 ' O ' HG22 ' A' ' 76' ' ' VAL . 67.5 mt-10 -64.26 -42.84 96.28 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-O 122.06 0.933 . . . . 0.0 110.097 179.46 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -63.93 -40.64 96.92 Favored 'General case' 0 C--O 1.24 0.587 0 CA-C-O 122.34 1.067 . . . . 0.0 110.356 178.113 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.609 HG13 ' HB1' ' B' ' 79' ' ' ALA . 0.5 OUTLIER -59.65 -48.09 88.72 Favored 'Isoleucine or valine' 0 C--O 1.249 1.043 0 CA-C-N 113.82 -1.536 . . . . 0.0 109.537 -179.081 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.475 HG22 ' O ' ' A' ' 73' ' ' GLU . 15.4 m -68.04 -33.96 64.08 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 C-N-CA 117.967 -1.493 . . . . 0.0 109.38 178.408 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 45.0 tp -55.47 -52.91 62.07 Favored 'General case' 0 C--O 1.238 0.483 0 C-N-CA 118.902 -1.119 . . . . 0.0 112.021 178.195 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 34.6 m -69.83 -35.46 65.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 118.661 -1.216 . . . . 0.0 111.683 -178.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.671 ' HB2' ' HB2' ' B' ' 79' ' ' ALA . . . -67.75 -47.49 69.1 Favored 'General case' 0 C--O 1.248 1.003 0 C-N-CA 118.89 -1.124 . . . . 0.0 111.68 -179.511 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.91 -39.57 94.49 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 179.367 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.3 mp -64.85 -34.0 77.34 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 119.062 -1.055 . . . . 0.0 109.521 176.417 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 41.3 m -63.46 -49.82 72.16 Favored 'General case' 0 C--O 1.244 0.792 0 C-N-CA 120.01 -0.676 . . . . 0.0 111.503 179.277 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 14.5 p -63.31 -39.3 84.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 118.89 -1.124 . . . . 0.0 110.338 178.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.14 -31.4 72.58 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-O 121.117 0.485 . . . . 0.0 109.903 178.489 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 44.7 t -66.18 -54.57 23.69 Favored 'General case' 0 CA--C 1.51 -0.574 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.438 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -56.41 -41.02 75.65 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 118.729 -1.188 . . . . 0.0 108.782 179.106 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.683 ' O ' ' HB2' ' A' ' 91' ' ' GLU . 87.1 m-20 -59.05 -41.35 87.66 Favored 'General case' 0 C--O 1.202 -1.403 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.563 178.315 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.558 ' O ' ' O ' ' A' ' 91' ' ' GLU . 67.7 t80 -64.13 -41.08 97.36 Favored 'General case' 0 C--N 1.303 -1.429 0 C-N-CA 118.318 -1.353 . . . . 0.0 110.872 178.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -64.44 -60.55 3.02 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 120.005 -0.678 . . . . 0.0 112.294 -178.278 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.604 ' CD2' ' OH ' ' B' ' 26' ' ' TYR . 19.1 t-105 -68.63 -44.1 74.92 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 119.774 -0.77 . . . . 0.0 111.386 179.051 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.683 ' HB2' ' O ' ' A' ' 87' ' ' ASN . 59.1 mm-40 -98.43 144.29 27.95 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.697 -1.138 . . . . 0.0 111.506 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -56.87 -34.18 67.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.416 179.213 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 12.4 m . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 117.984 -1.007 . . . . 0.0 110.544 -179.998 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' GLY . . . . . 0.557 ' O ' ' OE1' ' A' ' 40' ' ' GLU . . . . . . . . 0 CA--C 1.525 0.684 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 84.1 p -67.89 -18.6 64.84 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.639 -0.28 . . . . 0.0 111.404 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -59.9 -40.79 89.96 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -176.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.643 ' O ' HD23 ' B' ' 4' ' ' LEU . 2.1 tt -63.48 -42.54 98.57 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 117.895 -1.522 . . . . 0.0 107.953 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.595 ' OE2' HD22 ' A' ' 41' ' ' LEU . 72.1 mm-40 -66.18 -36.88 84.26 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.838 177.558 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 46.2 m -58.95 -41.9 88.55 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 119.465 -0.894 . . . . 0.0 108.891 179.301 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.41 -46.06 84.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.304 179.145 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 99.4 mtp -59.81 -40.92 90.04 Favored 'General case' 0 C--O 1.246 0.903 0 CA-C-O 121.336 0.588 . . . . 0.0 110.263 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.66 -37.48 87.72 Favored 'General case' 0 CA--C 1.511 -0.557 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.619 177.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 57.5 m -62.91 -42.44 99.79 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 119.445 -0.902 . . . . 0.0 110.19 178.642 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 43.7 mt -59.36 -43.13 92.85 Favored 'General case' 0 C--O 1.24 0.554 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 179.589 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.9 mt -61.76 -45.54 98.47 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 CA-C-N 114.856 -1.065 . . . . 0.0 111.817 178.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -61.36 -41.38 96.98 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -178.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 15.5 m -72.78 -39.01 59.09 Favored 'Isoleucine or valine' 0 C--O 1.256 1.401 0 C-N-CA 118.774 -1.17 . . . . 0.0 110.344 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.607 ' O ' ' HD2' ' B' ' 18' ' ' HIS . 88.9 t80 -60.74 -42.55 97.57 Favored 'General case' 0 C--N 1.347 0.484 0 CA-C-O 122.199 0.999 . . . . 0.0 109.895 177.136 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -67.47 -33.92 76.1 Favored 'General case' 0 N--CA 1.436 -1.161 0 CA-C-N 115.351 -0.841 . . . . 0.0 109.225 177.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.565 ' O ' ' HB2' ' B' ' 21' ' ' LYS . . . -59.95 -50.7 72.74 Favored 'General case' 0 N--CA 1.436 -1.145 0 C-N-CA 118.831 -1.147 . . . . 0.0 111.041 -178.631 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.607 ' HD2' ' O ' ' B' ' 15' ' ' PHE . 0.5 OUTLIER -80.82 -49.18 11.41 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 117.15 -1.82 . . . . 0.0 113.62 179.919 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.574 ' H ' ' CD2' ' B' ' 18' ' ' HIS . 22.8 t -60.66 -41.1 94.34 Favored 'General case' 0 C--N 1.351 0.672 0 C-N-CA 118.472 -1.291 . . . . 0.0 109.482 -179.662 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.96 -44.03 63.13 Favored Glycine 0 C--N 1.342 0.889 0 CA-C-N 115.53 -0.759 . . . . 0.0 112.08 178.739 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.565 ' HB2' ' O ' ' B' ' 17' ' ' ALA . 5.8 ttpm? -58.99 -42.31 89.69 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.012 -0.675 . . . . 0.0 111.576 -179.542 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.443 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 97.1 mt-10 -129.52 151.82 49.73 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 179.355 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.02 -148.86 31.67 Favored Glycine 0 CA--C 1.523 0.537 0 CA-C-N 115.704 -0.68 . . . . 0.0 112.326 177.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -70.95 139.83 50.74 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.193 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.479 ' O ' ' OG ' ' B' ' 19' ' ' SER . 36.3 mtmt -60.97 -31.7 71.27 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.171 -178.448 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.604 ' OH ' ' CD2' ' A' ' 90' ' ' TRP . 98.2 m-85 -106.42 19.57 20.3 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 -177.536 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 12.9 tptt -138.48 138.26 37.92 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 119.089 -1.044 . . . . 0.0 108.799 178.613 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.491 HD11 ' ND1' ' B' ' 18' ' ' HIS . 18.3 tp -112.45 131.59 55.49 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.345 -0.542 . . . . 0.0 111.543 -178.021 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 48.4 t -103.24 160.08 14.98 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.655 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 21.1 ttpt -52.12 -44.23 64.36 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 120.168 -0.613 . . . . 0.0 111.123 -178.129 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.607 ' HG3' ' N ' ' B' ' 32' ' ' GLU . 56.4 pttt -58.89 -46.74 87.13 Favored 'General case' 0 N--CA 1.438 -1.052 0 C-N-CA 119.733 -0.787 . . . . 0.0 109.522 -178.739 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.607 ' N ' ' HG3' ' B' ' 31' ' ' LYS . 92.3 mt-10 -62.52 -50.27 72.05 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 119.776 -0.769 . . . . 0.0 112.0 -177.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.04 -37.14 76.28 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 116.824 -1.951 . . . . 0.0 109.121 178.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.474 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 0.8 OUTLIER -53.63 -36.42 62.02 Favored 'General case' 0 N--CA 1.439 -1.016 0 C-N-CA 118.223 -1.391 . . . . 0.0 108.036 -179.406 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.898 ' O ' HG23 ' B' ' 39' ' ' THR . 97.1 mt-10 -74.32 -43.46 56.62 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 178.688 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.83 ' O ' HD23 ' B' ' 36' ' ' LEU . 5.4 tt -67.94 -47.96 67.21 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 118.842 -1.143 . . . . 0.0 112.422 -177.09 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.538 ' O ' ' O ' ' B' ' 41' ' ' LEU . 1.5 mm? -59.43 -42.22 91.38 Favored 'General case' 0 CA--C 1.517 -0.309 0 C-N-CA 118.258 -1.377 . . . . 0.0 110.03 -178.803 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.474 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 25.5 mt-30 -64.72 -39.85 94.34 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.403 -0.519 . . . . 0.0 111.767 178.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.898 HG23 ' O ' ' B' ' 35' ' ' GLU . 61.0 p -71.17 -41.18 70.72 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 112.821 0.675 . . . . 0.0 112.821 -178.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.566 ' OE1' ' O ' ' A' ' 1' ' ' GLY . 81.2 mm-40 -91.32 -49.59 6.27 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.604 HD22 ' OE2' ' A' ' 5' ' ' GLU . 28.6 mt -103.82 141.55 35.92 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 121.179 0.514 . . . . 0.0 111.984 -178.223 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.1 m -113.55 -65.37 1.19 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.119 178.339 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.78 -38.34 91.9 Favored Glycine 0 CA--C 1.532 1.097 0 CA-C-N 115.545 -0.752 . . . . 0.0 114.051 -178.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -60.51 -53.33 58.86 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 118.148 0.974 . . . . 0.0 112.316 -177.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -74.15 -38.76 63.65 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.133 178.042 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 58.6 t0 -59.66 -30.22 68.6 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.118 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.14 -31.36 61.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.137 -177.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -95.94 115.68 27.8 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 119.528 -0.869 . . . . 0.0 109.073 178.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -63.1 -39.24 94.11 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 -178.62 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -69.63 142.54 53.45 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 113.04 0.756 . . . . 0.0 113.04 -177.018 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 51' ' ' VAL . . . . . 0.558 ' O ' HG12 ' B' ' 54' ' ' VAL . 4.8 m -72.21 -27.65 27.24 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.228 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 177.406 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -61.04 -23.61 65.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 114.056 -1.429 . . . . 0.0 109.074 178.151 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.423 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -51.85 -37.67 52.91 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.721 -177.824 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.558 HG12 ' O ' ' B' ' 51' ' ' VAL . 10.7 p -59.92 -43.28 91.87 Favored 'Isoleucine or valine' 0 C--O 1.239 0.508 0 C-N-CA 119.308 -0.957 . . . . 0.0 109.742 178.331 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.554 ' N ' HG13 ' B' ' 54' ' ' VAL . 91.6 m-20 -61.35 -42.34 98.53 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 120.147 -0.621 . . . . 0.0 109.397 179.208 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 41.7 mttp -60.79 -39.01 87.25 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.211 179.31 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.423 HG23 ' O ' ' B' ' 53' ' ' ALA . 78.8 t -66.26 -46.08 88.2 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.461 0 CA-C-N 115.903 -0.59 . . . . 0.0 112.542 -179.374 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -72.52 -34.97 67.96 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 115.014 1.487 . . . . 0.0 115.014 -178.379 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 28.9 mmtm -59.96 -39.64 86.29 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 119.701 -0.8 . . . . 0.0 112.844 -178.469 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -70.16 -35.22 73.85 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 119.264 -0.974 . . . . 0.0 109.825 179.522 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' B' ' 63' ' ' GLU . 91.0 mt -67.46 -35.45 79.21 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-N 115.837 -0.62 . . . . 0.0 112.139 179.458 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.416 ' CG ' ' H ' ' B' ' 65' ' ' GLY . 45.2 t0 -71.36 73.96 0.72 Allowed 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 118.344 -1.342 . . . . 0.0 109.841 -179.028 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' B' ' 61' ' ' LEU . 87.5 tt0 -63.63 -38.18 90.16 Favored 'General case' 0 CA--C 1.497 -1.083 0 CA-C-O 123.123 1.439 . . . . 0.0 107.309 176.566 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.483 ' OD1' ' CG ' ' B' ' 66' ' ' ASP . 16.8 t-20 -57.84 -39.67 78.25 Favored 'General case' 0 N--CA 1.429 -1.489 0 CA-C-N 111.573 -2.558 . . . . 0.0 111.364 178.664 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.416 ' H ' ' CG ' ' B' ' 62' ' ' ASP . . . 79.61 19.27 71.42 Favored Glycine 0 CA--C 1.53 0.998 0 CA-C-N 116.307 -0.406 . . . . 0.0 112.709 178.122 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.504 ' O ' ' OE1' ' B' ' 68' ' ' GLU . 54.9 p30 -89.21 2.23 54.54 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 87.53 -3.69 86.26 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.056 -1.218 . . . . 0.0 110.056 179.198 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.504 ' OE1' ' O ' ' B' ' 66' ' ' ASP . 53.3 mp0 -120.52 159.89 24.28 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.037 -0.582 . . . . 0.0 110.691 179.445 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.425 ' HA ' ' OE1' ' B' ' 73' ' ' GLU . 61.6 t -105.49 130.92 56.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 106.576 -1.639 . . . . 0.0 106.576 176.339 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.509 ' OD1' ' C ' ' B' ' 70' ' ' ASP . 17.4 p30 -101.47 170.52 8.15 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 119.322 -0.951 . . . . 0.0 110.442 -178.132 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -53.53 -44.52 69.24 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.901 -178.613 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -61.54 -39.96 92.96 Favored 'General case' 0 C--O 1.243 0.738 0 C-N-CA 119.965 -0.694 . . . . 0.0 111.306 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.469 ' O ' HG22 ' B' ' 76' ' ' VAL . 67.6 mt-10 -64.33 -42.89 96.05 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 122.026 0.917 . . . . 0.0 109.991 179.469 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -63.92 -40.59 96.84 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-O 122.383 1.087 . . . . 0.0 110.407 178.122 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.625 HG13 ' HB1' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -59.65 -48.02 88.97 Favored 'Isoleucine or valine' 0 C--O 1.249 1.04 0 CA-C-N 113.764 -1.562 . . . . 0.0 109.625 -179.168 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.469 HG22 ' O ' ' B' ' 73' ' ' GLU . 15.6 m -68.04 -34.02 64.45 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 C-N-CA 118.058 -1.457 . . . . 0.0 109.339 178.416 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 45.4 tp -55.42 -52.94 61.92 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 118.897 -1.121 . . . . 0.0 112.058 178.188 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 34.6 m -69.77 -35.48 65.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 C-N-CA 118.59 -1.244 . . . . 0.0 111.734 -178.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.671 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . . . -67.72 -47.59 68.92 Favored 'General case' 0 C--O 1.247 0.965 0 C-N-CA 118.927 -1.109 . . . . 0.0 111.647 -179.498 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.75 -39.6 94.66 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.227 179.312 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 5.1 mp -64.8 -34.25 77.9 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 119.092 -1.043 . . . . 0.0 109.459 176.423 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 42.0 m -63.36 -49.78 72.51 Favored 'General case' 0 C--O 1.244 0.778 0 C-N-CA 119.982 -0.687 . . . . 0.0 111.435 179.502 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 14.5 p -63.33 -39.25 84.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 118.845 -1.142 . . . . 0.0 110.386 178.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.17 -31.4 72.57 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-O 121.068 0.461 . . . . 0.0 109.876 178.448 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 44.0 t -66.18 -54.63 22.9 Favored 'General case' 0 CA--C 1.508 -0.637 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.457 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -56.39 -40.96 75.47 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 118.742 -1.183 . . . . 0.0 108.77 179.117 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 87' ' ' ASN . . . . . 0.679 ' O ' ' HB2' ' B' ' 91' ' ' GLU . 87.3 m-20 -59.14 -41.27 87.89 Favored 'General case' 0 C--O 1.203 -1.394 0 C-N-CA 120.244 -0.582 . . . . 0.0 109.589 178.377 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.541 ' O ' ' O ' ' B' ' 91' ' ' GLU . 67.9 t80 -64.28 -40.86 96.83 Favored 'General case' 0 C--N 1.304 -1.396 0 C-N-CA 118.315 -1.354 . . . . 0.0 110.934 178.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -64.62 -60.59 2.95 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 120.019 -0.672 . . . . 0.0 112.185 -178.337 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.612 ' CD2' ' OH ' ' A' ' 26' ' ' TYR . 19.3 t-105 -68.55 -44.14 75.16 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 119.847 -0.741 . . . . 0.0 111.362 179.096 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.679 ' HB2' ' O ' ' B' ' 87' ' ' ASN . 59.0 mm-40 -98.45 144.38 27.87 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.617 -1.174 . . . . 0.0 111.435 -179.627 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -56.88 -34.21 67.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.414 179.17 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 12.6 m . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 118.018 -0.991 . . . . 0.0 110.529 179.996 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 201' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 201' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.679 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.499 ' OG ' ' OE1' ' B' ' 40' ' ' GLU . 43.5 t -118.63 141.26 48.77 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.803 0.335 . . . . 0.0 111.017 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -63.29 -38.74 92.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 112.249 -179.574 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.667 ' O ' HD23 ' A' ' 4' ' ' LEU . 5.3 tt -64.13 -42.85 96.65 Favored 'General case' 0 C--O 1.241 0.607 0 C-N-CA 119.695 -0.802 . . . . 0.0 109.263 -179.265 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.456 ' OE1' ' C ' ' A' ' 5' ' ' GLU . 7.5 tm-20 -64.35 -40.04 95.08 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.362 179.472 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 46.1 m -60.25 -40.21 89.51 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 178.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.45 -44.07 95.55 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.133 179.49 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 97.7 mtp -58.96 -41.29 87.16 Favored 'General case' 0 C--O 1.247 0.958 0 CA-C-O 121.728 0.775 . . . . 0.0 109.43 178.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -64.91 -35.42 81.1 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.115 178.166 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 48.5 m -64.11 -43.76 94.34 Favored 'General case' 0 N--CA 1.446 -0.633 0 C-N-CA 119.872 -0.731 . . . . 0.0 110.154 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 40.1 mt -62.41 -43.34 99.04 Favored 'General case' 0 C--O 1.242 0.675 0 C-N-CA 119.417 -0.913 . . . . 0.0 109.297 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 98.9 mt -61.94 -46.73 95.86 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 C-N-CA 119.834 -0.746 . . . . 0.0 111.3 179.05 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -61.45 -41.86 97.86 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 -178.705 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.6 m -73.95 -41.8 53.05 Favored 'Isoleucine or valine' 0 C--O 1.257 1.448 0 C-N-CA 119.082 -1.047 . . . . 0.0 111.956 -179.138 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -60.47 -47.62 85.33 Favored 'General case' 0 CA--C 1.508 -0.648 0 C-N-CA 119.022 -1.071 . . . . 0.0 109.549 178.216 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -64.17 -35.14 79.8 Favored 'General case' 0 CA--C 1.501 -0.91 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.155 178.153 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.552 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . -57.29 -52.59 64.73 Favored 'General case' 0 N--CA 1.437 -1.119 0 C-N-CA 118.737 -1.185 . . . . 0.0 110.085 -178.571 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.535 ' HA ' ' HZ1' ' A' ' 21' ' ' LYS . 28.9 m80 -78.89 -49.76 12.34 Favored 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 118.381 -1.327 . . . . 0.0 114.047 -179.509 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 40.4 t -57.72 -42.1 83.11 Favored 'General case' 0 CA--C 1.516 -0.345 0 C-N-CA 119.424 -0.911 . . . . 0.0 110.754 -178.644 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -77.88 -43.27 14.7 Favored Glycine 0 CA--C 1.527 0.808 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.017 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.552 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 7.3 ttpm? -58.75 -42.25 88.45 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 113.415 0.894 . . . . 0.0 113.415 -179.193 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.528 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 85.3 tt0 -126.97 141.58 51.76 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 112.891 0.7 . . . . 0.0 112.891 -178.247 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.88 -150.77 52.16 Favored Glycine 0 C--N 1.335 0.475 0 CA-C-N 115.273 -0.876 . . . . 0.0 112.228 177.675 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -68.56 146.35 53.17 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.028 -0.586 . . . . 0.0 109.529 179.184 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.3 mtmm -85.48 151.81 23.67 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 -179.365 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.596 ' OH ' ' CE3' ' B' ' 90' ' ' TRP . 93.3 m-85 61.34 10.59 3.17 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.517 ' NZ ' ' OD2' ' A' ' 66' ' ' ASP . 23.6 tptt -138.14 132.03 31.34 Favored 'General case' 0 C--O 1.236 0.353 0 N-CA-C 105.386 -2.079 . . . . 0.0 105.386 175.071 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.3 tp -110.8 122.96 49.13 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.265 -176.123 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.471 ' HA ' ' OE1' ' A' ' 68' ' ' GLU . 81.9 p -86.57 165.86 15.87 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 120.901 -0.32 . . . . 0.0 111.188 -179.54 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.0 ttpm? -56.8 -48.16 78.57 Favored 'General case' 0 C--O 1.243 0.74 0 CA-C-O 121.384 0.612 . . . . 0.0 112.274 -178.311 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.585 ' HG3' ' N ' ' A' ' 32' ' ' GLU . 24.3 pttm -60.84 -47.12 87.8 Favored 'General case' 0 N--CA 1.441 -0.919 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.634 -178.525 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.585 ' N ' ' HG3' ' A' ' 31' ' ' LYS . 97.1 mt-10 -62.23 -47.78 82.9 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.481 -0.781 . . . . 0.0 112.244 -178.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.428 HD22 HG21 ' A' ' 69' ' ' VAL . 0.8 OUTLIER -61.66 -34.94 76.59 Favored 'General case' 0 CA--C 1.502 -0.891 0 C-N-CA 117.999 -1.48 . . . . 0.0 109.311 179.518 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.525 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 1.8 tptm -55.22 -37.03 66.61 Favored 'General case' 0 N--CA 1.44 -0.933 0 C-N-CA 118.179 -1.408 . . . . 0.0 108.189 178.087 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.84 ' O ' HG23 ' A' ' 39' ' ' THR . 96.9 mt-10 -74.12 -41.45 61.58 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 112.984 0.735 . . . . 0.0 112.984 179.54 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.732 ' O ' HD23 ' A' ' 36' ' ' LEU . 3.0 tt -65.01 -45.25 86.33 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 120.02 -0.672 . . . . 0.0 111.169 -177.391 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.569 ' O ' ' O ' ' A' ' 41' ' ' LEU . 0.9 OUTLIER -65.0 -44.09 90.4 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 119.328 -0.949 . . . . 0.0 111.311 179.884 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.525 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 25.5 mt-30 -63.58 -39.12 93.57 Favored 'General case' 0 CA--C 1.519 -0.216 0 C-N-CA 120.349 -0.54 . . . . 0.0 111.514 179.66 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.84 HG23 ' O ' ' A' ' 35' ' ' GLU . 62.5 p -71.46 -32.85 68.79 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.499 -0.48 . . . . 0.0 111.116 179.709 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.501 ' OE1' ' OG ' ' B' ' 2' ' ' SER . 77.3 mm-40 -101.75 -60.01 1.6 Allowed 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 113.383 0.882 . . . . 0.0 113.383 -179.033 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.569 ' O ' ' O ' ' A' ' 37' ' ' LEU . 54.3 mt -99.07 141.55 31.69 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 121.267 0.556 . . . . 0.0 111.535 -179.063 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.9 t -113.41 -59.26 2.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.507 179.463 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.11 -39.5 92.25 Favored Glycine 0 CA--C 1.532 1.121 0 CA-C-N 116.152 -0.477 . . . . 0.0 114.162 -177.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -63.08 -54.4 38.59 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 118.067 0.933 . . . . 0.0 112.706 -178.095 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -73.97 -37.87 64.35 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 120.526 -0.47 . . . . 0.0 112.105 178.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -59.32 -29.33 67.56 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.136 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.98 -31.75 61.05 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.512 -177.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 81.3 mm-40 -96.81 118.88 34.22 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 119.391 -0.924 . . . . 0.0 109.197 179.021 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 69.1 tttt -63.18 -40.18 96.79 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 114.179 1.177 . . . . 0.0 114.179 -178.456 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -71.37 142.51 50.36 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 113.125 0.787 . . . . 0.0 113.125 -177.3 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.522 ' O ' HG12 ' A' ' 54' ' ' VAL . 4.9 m -72.13 -28.56 29.81 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.111 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 177.562 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -60.54 -25.39 66.11 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 114.3 -1.318 . . . . 0.0 108.987 177.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.6 -37.61 50.79 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 114.693 -1.14 . . . . 0.0 110.848 -177.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.569 HG13 ' N ' ' A' ' 55' ' ' ASP . 8.2 p -60.42 -42.43 91.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 119.273 -0.971 . . . . 0.0 109.653 178.478 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.569 ' N ' HG13 ' A' ' 54' ' ' VAL . 56.1 t0 -61.79 -41.63 97.98 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 179.037 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 48.1 mttm -60.67 -39.75 89.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.523 179.459 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 69.9 t -65.77 -45.86 90.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 C-N-CA 120.545 -0.462 . . . . 0.0 111.192 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.1 ppp? -69.7 -33.81 73.04 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 114.289 1.218 . . . . 0.0 114.289 -178.625 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.7 mtmt -59.18 -40.58 86.14 Favored 'General case' 0 CA--C 1.521 -0.169 0 C-N-CA 119.015 -1.074 . . . . 0.0 111.373 -179.288 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -64.24 -39.95 95.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.36 0.6 . . . . 0.0 110.676 178.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.482 HD11 HD22 ' A' ' 77' ' ' LEU . 80.5 mt -68.33 -34.45 76.14 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.153 -0.93 . . . . 0.0 112.987 -179.168 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.536 ' OD2' ' N ' ' A' ' 67' ' ' GLY . 47.8 t0 -73.38 82.78 1.42 Allowed 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 118.42 -1.312 . . . . 0.0 111.413 -177.814 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -67.18 -46.41 74.04 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 122.653 1.216 . . . . 0.0 112.257 177.15 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 31.8 m120 -57.27 -34.88 69.11 Favored 'General case' 0 C--N 1.299 -1.605 0 CA-C-N 112.38 -2.191 . . . . 0.0 113.259 -177.086 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 89.27 4.17 74.56 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 108.121 -1.992 . . . . 0.0 108.121 -177.167 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.655 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 46.5 p30 -62.23 -30.59 71.2 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 114.132 -1.034 . . . . 0.0 111.411 179.546 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.655 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 100.3 -5.73 57.55 Favored Glycine 0 CA--C 1.52 0.38 0 N-CA-C 110.65 -0.98 . . . . 0.0 110.65 -179.597 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.474 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 29.1 mm-40 -122.62 165.97 15.61 Favored 'General case' 0 C--O 1.242 0.67 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 178.05 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.428 HG21 HD22 ' A' ' 33' ' ' LEU . 38.4 t -98.65 132.25 44.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 178.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -96.17 159.28 15.04 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.239 0.542 . . . . 0.0 111.64 -178.485 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -50.52 -45.06 56.45 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.799 -178.145 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.405 ' HG2' HG21 ' B' ' 83' ' ' VAL . 94.2 mt-30 -61.51 -39.97 92.91 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 119.777 -0.769 . . . . 0.0 110.63 178.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.442 ' CD ' ' O ' ' A' ' 61' ' ' LEU . 94.0 mt-10 -65.27 -42.15 93.52 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 121.976 0.893 . . . . 0.0 110.325 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -63.85 -40.37 96.42 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-O 122.256 1.027 . . . . 0.0 109.548 178.515 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.596 HG13 ' HB1' ' B' ' 79' ' ' ALA . 0.5 OUTLIER -60.84 -48.12 90.28 Favored 'Isoleucine or valine' 0 C--O 1.245 0.865 0 CA-C-N 113.78 -1.555 . . . . 0.0 110.397 -179.287 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.409 HG22 ' O ' ' A' ' 73' ' ' GLU . 12.8 m -68.06 -34.05 64.57 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 C-N-CA 118.063 -1.455 . . . . 0.0 109.249 178.825 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.482 HD22 HD11 ' A' ' 61' ' ' LEU . 51.2 tp -56.55 -52.58 64.26 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 119.049 -1.06 . . . . 0.0 111.925 178.312 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.437 ' O ' ' OG1' ' A' ' 82' ' ' THR . 33.9 m -69.69 -36.62 71.15 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 C-N-CA 118.607 -1.237 . . . . 0.0 111.921 -178.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.633 ' HB2' ' HB2' ' B' ' 79' ' ' ALA . . . -68.43 -48.05 65.61 Favored 'General case' 0 C--O 1.249 1.067 0 C-N-CA 119.084 -1.046 . . . . 0.0 111.855 -179.359 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.3 -40.58 97.75 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 179.492 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.0 mp -65.47 -33.51 76.1 Favored 'General case' 0 C--O 1.219 -0.535 0 C-N-CA 119.224 -0.991 . . . . 0.0 109.8 176.629 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 34.4 m -63.05 -51.47 66.58 Favored 'General case' 0 C--O 1.249 1.066 0 C-N-CA 119.737 -0.785 . . . . 0.0 111.299 179.766 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.431 HG22 HD21 ' A' ' 87' ' ' ASN . 14.0 p -63.25 -39.08 83.92 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 119.428 -0.909 . . . . 0.0 110.718 178.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.513 ' O ' ' CD2' ' A' ' 88' ' ' PHE . . . -65.17 -34.98 79.66 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 120.486 -0.485 . . . . 0.0 109.849 178.834 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 31.0 t -62.87 -55.96 21.56 Favored 'General case' 0 CA--C 1.507 -0.677 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.89 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.423 HD21 ' C ' ' A' ' 86' ' ' ASN . 0.4 OUTLIER -57.32 -39.28 75.51 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 118.299 -1.361 . . . . 0.0 108.956 178.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.431 HD21 HG22 ' A' ' 83' ' ' VAL . 86.3 m-20 -59.27 -40.22 85.39 Favored 'General case' 0 C--N 1.338 0.086 0 C-N-CA 120.464 -0.495 . . . . 0.0 110.943 179.217 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.537 ' O ' ' O ' ' A' ' 91' ' ' GLU . 61.1 m-85 -67.57 -39.99 84.89 Favored 'General case' 0 CA--C 1.52 -0.175 0 C-N-CA 119.781 -0.768 . . . . 0.0 111.059 178.664 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -62.53 -52.45 63.4 Favored 'General case' 0 C--N 1.33 -0.283 0 C-N-CA 119.691 -0.804 . . . . 0.0 111.255 -179.248 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.602 ' CE3' ' OH ' ' B' ' 26' ' ' TYR . 23.1 t-105 -67.55 -39.94 84.98 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 121.16 0.505 . . . . 0.0 112.306 178.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.537 ' O ' ' O ' ' A' ' 88' ' ' PHE . 4.6 tm-20 -103.2 140.4 37.42 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.929 -176.691 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.529 ' N ' ' OE1' ' A' ' 91' ' ' GLU . 85.9 m-20 -104.93 137.99 41.85 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.485 179.7 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.434 ' O ' ' OG ' ' A' ' 93' ' ' SER . 18.4 t . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 118.026 -0.987 . . . . 0.0 110.582 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.6 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' SER . . . . . 0.501 ' OG ' ' OE1' ' A' ' 40' ' ' GLU . 43.5 t -118.63 141.21 48.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.856 0.36 . . . . 0.0 110.982 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -63.2 -38.79 92.58 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.167 -0.47 . . . . 0.0 112.264 -179.65 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.66 ' O ' HD23 ' B' ' 4' ' ' LEU . 5.3 tt -64.14 -42.92 96.59 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-O 121.8 0.81 . . . . 0.0 109.229 -179.204 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.448 ' C ' ' OE1' ' B' ' 5' ' ' GLU . 7.5 tm-20 -64.37 -39.98 94.92 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.381 179.477 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 45.4 m -60.23 -40.14 89.17 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 178.674 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.5 -43.97 95.66 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.142 179.442 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 97.7 mtp -59.05 -41.31 87.58 Favored 'General case' 0 C--O 1.248 0.982 0 CA-C-O 121.778 0.799 . . . . 0.0 109.501 178.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -64.83 -36.24 83.69 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.956 178.281 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 46.5 m -63.25 -44.08 96.2 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 119.962 -0.695 . . . . 0.0 110.314 179.513 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 45.2 mt -62.42 -43.22 99.34 Favored 'General case' 0 C--O 1.241 0.615 0 C-N-CA 119.434 -0.906 . . . . 0.0 109.338 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 98.9 mt -61.88 -46.68 95.97 Favored 'Isoleucine or valine' 0 C--O 1.232 0.143 0 C-N-CA 119.796 -0.762 . . . . 0.0 111.335 178.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -61.5 -41.93 98.03 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 -178.68 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 14.5 m -73.88 -41.87 53.55 Favored 'Isoleucine or valine' 0 C--O 1.257 1.468 0 C-N-CA 119.2 -1.0 . . . . 0.0 111.908 -179.083 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -60.49 -47.62 85.34 Favored 'General case' 0 CA--C 1.508 -0.656 0 C-N-CA 119.008 -1.077 . . . . 0.0 109.529 178.2 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -64.25 -35.06 79.6 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.07 178.233 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.549 ' O ' ' CB ' ' B' ' 21' ' ' LYS . . . -57.36 -52.6 64.72 Favored 'General case' 0 N--CA 1.436 -1.163 0 C-N-CA 118.764 -1.174 . . . . 0.0 110.009 -178.542 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.513 ' HA ' ' HZ1' ' B' ' 21' ' ' LYS . 28.7 m80 -78.68 -49.81 12.51 Favored 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 118.412 -1.315 . . . . 0.0 114.093 -179.564 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 40.6 t -57.78 -42.24 83.68 Favored 'General case' 0 CA--C 1.516 -0.364 0 C-N-CA 119.537 -0.865 . . . . 0.0 110.713 -178.612 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -77.82 -43.36 14.69 Favored Glycine 0 CA--C 1.528 0.886 0 C-N-CA 120.796 -0.716 . . . . 0.0 111.997 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.549 ' CB ' ' O ' ' B' ' 17' ' ' ALA . 7.3 ttpm? -58.73 -42.25 88.34 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 -179.152 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.534 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 85.3 tt0 -126.87 141.71 51.74 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 119.924 -0.71 . . . . 0.0 112.892 -178.342 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.75 -150.65 52.06 Favored Glycine 0 C--N 1.334 0.418 0 CA-C-N 115.304 -0.862 . . . . 0.0 112.238 177.639 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -68.56 146.31 53.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.036 -0.582 . . . . 0.0 109.521 179.203 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 24.2 mtmm -85.45 151.82 23.68 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 -179.385 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.602 ' OH ' ' CE3' ' A' ' 90' ' ' TRP . 93.3 m-85 61.33 10.51 3.12 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.507 ' CE ' ' OD2' ' B' ' 66' ' ' ASP . 25.5 tptt -137.95 132.23 32.04 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 105.436 -2.061 . . . . 0.0 105.436 175.016 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 19.2 tp -110.93 122.88 48.98 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.449 -0.5 . . . . 0.0 110.309 -176.272 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.478 ' HA ' ' OE1' ' B' ' 68' ' ' GLU . 81.9 p -86.59 165.97 15.76 Favored 'General case' 0 C--N 1.332 -0.196 0 C-N-CA 120.884 -0.326 . . . . 0.0 111.152 -179.475 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 5.0 ttpm? -56.83 -48.24 78.47 Favored 'General case' 0 C--O 1.243 0.737 0 CA-C-O 121.492 0.663 . . . . 0.0 112.191 -178.223 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.591 ' HG3' ' N ' ' B' ' 32' ' ' GLU . 24.2 pttm -60.95 -47.04 88.25 Favored 'General case' 0 N--CA 1.441 -0.9 0 C-N-CA 119.931 -0.708 . . . . 0.0 109.552 -178.427 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.591 ' N ' ' HG3' ' B' ' 31' ' ' LYS . 97.1 mt-10 -62.24 -47.73 83.11 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.536 -0.756 . . . . 0.0 112.23 -178.853 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.436 HD22 HG21 ' B' ' 69' ' ' VAL . 0.8 OUTLIER -61.69 -34.87 76.52 Favored 'General case' 0 CA--C 1.502 -0.884 0 C-N-CA 118.08 -1.448 . . . . 0.0 109.417 179.49 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.532 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 1.8 tptm -55.24 -37.11 66.79 Favored 'General case' 0 N--CA 1.44 -0.945 0 C-N-CA 118.139 -1.424 . . . . 0.0 108.146 178.01 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.842 ' O ' HG23 ' B' ' 39' ' ' THR . 97.0 mt-10 -74.06 -41.46 61.71 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 112.943 0.72 . . . . 0.0 112.943 179.592 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.729 ' O ' HD23 ' B' ' 36' ' ' LEU . 3.1 tt -64.93 -45.35 86.21 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 120.082 -0.647 . . . . 0.0 111.146 -177.353 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.567 ' O ' ' O ' ' B' ' 41' ' ' LEU . 0.9 OUTLIER -64.89 -44.27 90.16 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 119.312 -0.955 . . . . 0.0 111.231 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.532 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 25.6 mt-30 -63.47 -39.17 93.76 Favored 'General case' 0 CA--C 1.52 -0.198 0 C-N-CA 120.328 -0.549 . . . . 0.0 111.467 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.842 HG23 ' O ' ' B' ' 35' ' ' GLU . 60.1 p -71.47 -32.8 68.69 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.439 -0.504 . . . . 0.0 111.074 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.499 ' OE1' ' OG ' ' A' ' 2' ' ' SER . 77.5 mm-40 -101.8 -60.02 1.6 Allowed 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 -179.002 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.567 ' O ' ' O ' ' B' ' 37' ' ' LEU . 54.4 mt -99.07 141.55 31.69 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 121.281 0.562 . . . . 0.0 111.55 -179.072 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 5.0 t -113.53 -59.21 2.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.446 179.486 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.02 -39.5 92.04 Favored Glycine 0 CA--C 1.532 1.124 0 CA-C-N 116.172 -0.467 . . . . 0.0 114.155 -178.058 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -63.11 -54.38 38.75 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 118.045 0.923 . . . . 0.0 112.744 -178.065 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -73.92 -37.92 64.48 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 120.54 -0.464 . . . . 0.0 112.126 178.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -59.31 -29.4 67.59 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.94 -31.69 60.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.508 -177.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -96.94 118.94 34.45 Favored 'General case' 0 N--CA 1.462 0.151 0 C-N-CA 119.367 -0.933 . . . . 0.0 109.109 179.059 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 69.2 tttt -63.16 -40.16 96.74 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 114.174 1.176 . . . . 0.0 114.174 -178.502 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -71.52 142.61 50.12 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 -177.241 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 51' ' ' VAL . . . . . 0.531 ' O ' HG12 ' B' ' 54' ' ' VAL . 4.9 m -72.15 -28.58 29.78 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.169 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 177.526 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -60.61 -25.28 66.14 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 114.403 -1.271 . . . . 0.0 109.064 177.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.71 -37.5 51.13 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 114.69 -1.141 . . . . 0.0 110.881 -178.018 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.566 HG13 ' N ' ' B' ' 55' ' ' ASP . 8.1 p -60.47 -42.38 91.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 119.255 -0.978 . . . . 0.0 109.655 178.425 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.566 ' N ' HG13 ' B' ' 54' ' ' VAL . 56.0 t0 -61.69 -41.86 98.15 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 178.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 48.0 mttm -60.51 -39.76 88.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.575 179.442 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 69.8 t -65.84 -45.74 90.6 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 C-N-CA 120.622 -0.431 . . . . 0.0 111.232 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 1.1 ppp? -69.75 -33.83 72.98 Favored 'General case' 0 CA--C 1.535 0.404 0 N-CA-C 114.306 1.225 . . . . 0.0 114.306 -178.689 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 13.7 mtmt -59.2 -40.63 86.35 Favored 'General case' 0 CA--C 1.521 -0.142 0 C-N-CA 119.053 -1.059 . . . . 0.0 111.306 -179.244 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -64.3 -39.89 94.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.244 0.545 . . . . 0.0 110.607 178.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.479 HD11 HD22 ' B' ' 77' ' ' LEU . 80.4 mt -68.27 -34.57 76.42 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.261 -0.881 . . . . 0.0 112.964 -179.201 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.541 ' OD2' ' N ' ' B' ' 67' ' ' GLY . 47.9 t0 -73.36 82.79 1.41 Allowed 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 118.375 -1.33 . . . . 0.0 111.375 -177.735 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -67.13 -46.42 74.16 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 122.621 1.201 . . . . 0.0 112.281 177.08 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 31.8 m120 -57.32 -34.9 69.22 Favored 'General case' 0 C--N 1.299 -1.612 0 CA-C-N 112.472 -2.149 . . . . 0.0 113.229 -177.092 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 89.22 4.19 74.66 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 108.164 -1.974 . . . . 0.0 108.164 -177.127 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.659 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 46.6 p30 -62.18 -30.72 71.26 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 114.084 -1.058 . . . . 0.0 111.37 179.572 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.659 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 100.44 -5.78 57.34 Favored Glycine 0 CA--C 1.52 0.369 0 N-CA-C 110.659 -0.976 . . . . 0.0 110.659 -179.539 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.478 ' OE1' ' HA ' ' B' ' 29' ' ' SER . 29.2 mm-40 -122.68 166.04 15.55 Favored 'General case' 0 C--O 1.243 0.728 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 178.047 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.436 HG21 HD22 ' B' ' 33' ' ' LEU . 38.6 t -98.65 132.34 44.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 178.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -95.76 159.2 15.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.259 0.552 . . . . 0.0 111.56 -178.437 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -50.65 -45.01 57.66 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.741 -178.499 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.404 ' HG2' HG21 ' A' ' 83' ' ' VAL . 94.2 mt-30 -61.64 -39.92 93.06 Favored 'General case' 0 C--O 1.241 0.653 0 C-N-CA 119.842 -0.743 . . . . 0.0 110.552 178.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.432 ' CD ' ' O ' ' B' ' 61' ' ' LEU . 94.1 mt-10 -65.36 -41.99 93.25 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-O 121.884 0.849 . . . . 0.0 110.359 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -63.97 -40.35 96.21 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-O 122.222 1.011 . . . . 0.0 109.474 178.527 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.591 HG13 ' HB1' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -60.85 -48.19 90.01 Favored 'Isoleucine or valine' 0 C--O 1.245 0.856 0 CA-C-N 113.822 -1.535 . . . . 0.0 110.365 -179.303 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.405 HG22 ' O ' ' B' ' 73' ' ' GLU . 13.0 m -68.15 -33.96 63.81 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 C-N-CA 117.944 -1.503 . . . . 0.0 109.172 178.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.479 HD22 HD11 ' B' ' 61' ' ' LEU . 51.3 tp -56.57 -52.58 64.27 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 119.06 -1.056 . . . . 0.0 111.896 178.307 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.401 ' O ' ' OG1' ' B' ' 82' ' ' THR . 33.9 m -69.64 -36.68 71.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 C-N-CA 118.575 -1.25 . . . . 0.0 111.957 -178.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.633 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . . . -68.36 -48.04 65.83 Favored 'General case' 0 C--O 1.249 1.056 0 C-N-CA 119.149 -1.02 . . . . 0.0 111.907 -179.361 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.4 -40.49 97.35 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 179.486 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 5.9 mp -65.46 -33.49 76.05 Favored 'General case' 0 C--O 1.218 -0.571 0 C-N-CA 119.17 -1.012 . . . . 0.0 109.806 176.6 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 35.4 m -63.14 -51.38 66.71 Favored 'General case' 0 C--O 1.249 1.062 0 C-N-CA 119.634 -0.826 . . . . 0.0 111.236 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.431 HG22 HD21 ' B' ' 87' ' ' ASN . 14.0 p -63.23 -39.04 83.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 119.308 -0.957 . . . . 0.0 110.749 178.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.511 ' O ' ' CD2' ' B' ' 88' ' ' PHE . . . -65.18 -34.88 79.42 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 120.445 -0.502 . . . . 0.0 109.857 178.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 31.6 t -62.98 -55.95 21.32 Favored 'General case' 0 CA--C 1.508 -0.669 0 CA-C-N 115.463 -0.789 . . . . 0.0 109.818 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.439 ' C ' HD21 ' B' ' 86' ' ' ASN . 0.4 OUTLIER -57.34 -39.34 75.7 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 118.417 -1.313 . . . . 0.0 108.859 179.012 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 87' ' ' ASN . . . . . 0.431 HD21 HG22 ' B' ' 83' ' ' VAL . 86.5 m-20 -59.32 -40.25 85.68 Favored 'General case' 0 C--N 1.337 0.06 0 C-N-CA 120.484 -0.486 . . . . 0.0 110.901 179.246 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.543 ' O ' ' O ' ' B' ' 91' ' ' GLU . 61.2 m-85 -67.51 -40.09 85.13 Favored 'General case' 0 CA--C 1.522 -0.132 0 C-N-CA 119.873 -0.731 . . . . 0.0 111.04 178.657 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -62.48 -52.39 63.69 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 119.637 -0.825 . . . . 0.0 111.297 -179.282 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.596 ' CE3' ' OH ' ' A' ' 26' ' ' TYR . 23.1 t-105 -67.62 -39.92 84.69 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 121.194 0.521 . . . . 0.0 112.3 179.013 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.543 ' O ' ' O ' ' B' ' 88' ' ' PHE . 4.6 tm-20 -103.24 140.38 37.45 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.961 -176.709 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 92' ' ' ASN . . . . . 0.519 ' N ' ' OE1' ' B' ' 91' ' ' GLU . 85.9 m-20 -104.87 137.96 41.85 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.534 179.728 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 18.3 t . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 118.016 -0.992 . . . . 0.0 110.501 -179.956 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 201' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 201' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.703 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.504 ' OG ' ' OE1' ' B' ' 40' ' ' GLU . 35.3 t -118.57 140.41 49.93 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.656 0.265 . . . . 0.0 110.597 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.14 -37.95 89.25 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.941 -179.699 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.483 ' O ' HD23 ' A' ' 4' ' ' LEU . 5.7 tt -61.04 -41.18 96.1 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 -178.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.52 -37.57 87.16 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.369 178.307 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 43.8 m -59.16 -41.05 87.45 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 179.055 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.64 -46.13 83.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.43 179.246 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 99.4 mtp -59.39 -41.56 89.68 Favored 'General case' 0 C--O 1.248 1.018 0 CA-C-O 121.724 0.773 . . . . 0.0 109.834 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -65.41 -35.58 81.36 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.239 177.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 49.1 m -63.81 -42.99 97.57 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 119.589 -0.844 . . . . 0.0 109.892 179.303 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 37.9 mt -61.76 -42.58 99.17 Favored 'General case' 0 C--O 1.24 0.553 0 C-N-CA 119.043 -1.063 . . . . 0.0 108.798 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.4 mt -61.19 -45.66 98.16 Favored 'Isoleucine or valine' 0 C--O 1.231 0.113 0 C-N-CA 119.693 -0.803 . . . . 0.0 111.221 178.609 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -62.15 -41.76 98.59 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 113.14 0.792 . . . . 0.0 113.14 -178.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.8 m -73.78 -41.21 54.3 Favored 'Isoleucine or valine' 0 C--O 1.256 1.419 0 C-N-CA 119.27 -0.972 . . . . 0.0 111.569 -179.195 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.434 ' CE2' ' CG ' ' A' ' 71' ' ' PHE . 84.5 t80 -59.96 -47.95 83.71 Favored 'General case' 0 CA--C 1.509 -0.597 0 C-N-CA 119.585 -0.846 . . . . 0.0 109.793 177.615 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -65.78 -34.0 77.17 Favored 'General case' 0 CA--C 1.504 -0.824 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.595 178.164 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.525 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . -58.55 -52.58 65.06 Favored 'General case' 0 N--CA 1.438 -1.056 0 C-N-CA 118.757 -1.177 . . . . 0.0 110.092 -178.498 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.631 ' HA ' ' HZ1' ' A' ' 21' ' ' LYS . 22.0 m-70 -78.84 -48.31 14.95 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 118.618 -1.233 . . . . 0.0 113.595 -179.796 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.8 t -58.29 -44.16 88.38 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 119.549 -0.86 . . . . 0.0 110.74 -179.238 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.1 -43.88 31.47 Favored Glycine 0 CA--C 1.526 0.745 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.81 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.631 ' HZ1' ' HA ' ' A' ' 18' ' ' HIS . 7.3 ttpm? -59.34 -41.34 88.94 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 -178.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.519 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 49.2 tp10 -122.67 140.87 52.37 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 -178.066 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.36 -141.9 47.88 Favored Glycine 0 CA--C 1.52 0.405 0 CA-C-N 114.88 -1.054 . . . . 0.0 112.595 177.57 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -70.63 146.44 50.03 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.03 -0.585 . . . . 0.0 109.977 179.468 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.4 mtmm -86.48 150.34 24.35 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 -179.482 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.489 ' OH ' ' CE3' ' B' ' 90' ' ' TRP . 87.7 m-85 60.42 14.76 4.98 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.553 ' HZ3' ' HG2' ' A' ' 68' ' ' GLU . 18.2 tptm -136.47 136.22 39.27 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 106.751 -1.574 . . . . 0.0 106.751 176.684 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.457 ' C ' ' OE2' ' A' ' 68' ' ' GLU . 14.1 tp -115.03 130.74 57.01 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 120.49 -0.484 . . . . 0.0 111.549 -175.41 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.45 ' CA ' ' OE2' ' A' ' 68' ' ' GLU . 39.7 t -104.92 158.62 16.41 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.597 179.575 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.2 ttpt -53.26 -46.44 69.23 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-O 121.253 0.549 . . . . 0.0 111.481 -177.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.607 ' CG ' ' N ' ' A' ' 32' ' ' GLU . 47.5 pttt -59.83 -48.29 82.29 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.674 -178.475 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.607 ' N ' ' CG ' ' A' ' 31' ' ' LYS . 95.3 mt-10 -63.16 -48.28 79.09 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 115.375 -0.829 . . . . 0.0 112.299 -178.402 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.2 pp -62.36 -34.17 76.17 Favored 'General case' 0 CA--C 1.496 -1.115 0 C-N-CA 118.318 -1.353 . . . . 0.0 110.025 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.7 tptp -54.78 -36.51 64.95 Favored 'General case' 0 N--CA 1.434 -1.235 0 C-N-CA 117.5 -1.68 . . . . 0.0 107.629 178.462 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.635 ' O ' HG23 ' A' ' 39' ' ' THR . 96.9 mt-10 -74.67 -41.91 59.43 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 120.154 -0.619 . . . . 0.0 112.462 178.757 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.744 ' O ' HD23 ' A' ' 36' ' ' LEU . 2.2 tt -64.62 -45.34 87.28 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 120.298 -0.561 . . . . 0.0 111.299 -177.543 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.568 ' O ' ' N ' ' A' ' 41' ' ' LEU . 1.1 mm? -64.31 -43.05 95.93 Favored 'General case' 0 CA--C 1.521 -0.135 0 C-N-CA 119.038 -1.065 . . . . 0.0 111.17 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -63.91 -39.65 94.66 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 120.247 -0.581 . . . . 0.0 112.124 179.515 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.635 HG23 ' O ' ' A' ' 35' ' ' GLU . 81.3 p -71.2 -37.57 72.09 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 119.733 -0.787 . . . . 0.0 111.427 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.503 ' OE1' ' OG ' ' B' ' 2' ' ' SER . 76.4 mm-40 -92.5 -53.62 4.13 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.568 ' N ' ' O ' ' A' ' 37' ' ' LEU . 27.9 mt -103.68 141.62 35.75 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.26 0.552 . . . . 0.0 111.096 -179.432 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.547 ' OG ' ' N ' ' A' ' 43' ' ' GLY . 24.9 p -114.53 -67.22 1.01 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.872 179.231 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.547 ' N ' ' OG ' ' A' ' 42' ' ' SER . . . -57.87 -37.78 86.01 Favored Glycine 0 CA--C 1.531 1.044 0 CA-C-N 115.812 -0.631 . . . . 0.0 113.714 -178.647 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -61.02 -53.93 51.19 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 118.015 0.907 . . . . 0.0 112.233 -178.09 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -74.18 -37.49 63.93 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 120.597 -0.441 . . . . 0.0 111.502 178.364 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -59.36 -29.43 67.68 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.042 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.76 -31.72 59.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.706 -177.612 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 82.0 mm-40 -96.65 119.33 34.93 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 119.351 -0.94 . . . . 0.0 109.124 179.166 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -62.92 -40.73 98.51 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 114.169 1.174 . . . . 0.0 114.169 -178.541 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -71.73 142.38 49.79 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 -177.257 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.505 ' O ' HG12 ' A' ' 54' ' ' VAL . 5.0 m -72.05 -29.36 32.57 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.184 0 N-CA-C 107.791 -1.188 . . . . 0.0 107.791 177.402 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -58.99 -25.07 63.29 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 114.309 -1.314 . . . . 0.0 108.93 177.739 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.448 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -52.37 -37.73 57.04 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 114.572 -1.194 . . . . 0.0 110.97 -178.02 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.554 HG13 ' N ' ' A' ' 55' ' ' ASP . 9.1 p -60.16 -42.47 90.28 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 C-N-CA 119.141 -1.023 . . . . 0.0 109.517 178.598 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.554 ' N ' HG13 ' A' ' 54' ' ' VAL . 55.8 t0 -61.91 -42.54 99.21 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.389 178.729 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 55.4 mttm -60.29 -38.98 85.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.31 179.232 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 53' ' ' ALA . 72.8 t -65.11 -43.99 95.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.18 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.459 ' CE ' ' O ' ' A' ' 67' ' ' GLY . 1.4 ppp? -70.48 -33.1 70.87 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 115.123 1.527 . . . . 0.0 115.123 -178.266 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.404 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 29.1 mmtm -59.62 -40.12 86.52 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 119.507 -0.877 . . . . 0.0 112.967 -178.456 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -70.53 -35.18 73.01 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 119.455 -0.898 . . . . 0.0 110.1 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.404 ' O ' ' CD ' ' A' ' 73' ' ' GLU . 85.0 mt -67.5 -34.72 77.71 Favored 'General case' 0 CA--C 1.511 -0.537 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.966 179.534 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.613 ' OD2' ' N ' ' A' ' 67' ' ' GLY . 50.2 t0 -75.34 93.37 2.89 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 118.739 -1.184 . . . . 0.0 111.436 -177.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -64.19 -45.98 85.97 Favored 'General case' 0 CA--C 1.508 -0.654 0 CA-C-O 122.586 1.184 . . . . 0.0 111.286 176.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 31.2 m120 -59.12 -33.02 70.36 Favored 'General case' 0 C--N 1.298 -1.635 0 CA-C-N 112.566 -2.106 . . . . 0.0 112.568 -178.725 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.8 18.47 67.82 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 108.09 -2.004 . . . . 0.0 108.09 -176.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.599 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 50.1 p30 -86.5 5.86 33.31 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 114.172 -1.014 . . . . 0.0 112.375 -178.581 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.613 ' N ' ' OD2' ' A' ' 62' ' ' ASP . . . 63.14 -1.44 1.94 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.161 -1.175 . . . . 0.0 110.161 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.553 ' HG2' ' HZ3' ' A' ' 27' ' ' LYS . 37.0 tp10 -114.89 141.03 48.48 Favored 'General case' 0 C--O 1.239 0.525 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 -179.535 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 46.5 t -102.77 132.61 48.55 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.451 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 -179.203 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.494 ' C ' ' OD1' ' A' ' 70' ' ' ASP . 28.9 p30 -101.96 172.11 7.12 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 121.194 0.521 . . . . 0.0 110.842 -178.849 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.434 ' CG ' ' CE2' ' A' ' 15' ' ' PHE . 0.9 OUTLIER -54.07 -45.34 71.69 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.965 -178.403 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -61.74 -41.04 97.14 Favored 'General case' 0 C--O 1.245 0.827 0 C-N-CA 119.841 -0.743 . . . . 0.0 111.84 -179.641 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.466 ' O ' HG22 ' A' ' 76' ' ' VAL . 94.1 mt-10 -64.72 -41.74 95.76 Favored 'General case' 0 C--O 1.241 0.657 0 CA-C-O 122.08 0.943 . . . . 0.0 109.985 179.387 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 70.3 t80 -63.71 -40.98 98.11 Favored 'General case' 0 C--O 1.241 0.62 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.19 178.121 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.611 HG13 ' HB1' ' B' ' 79' ' ' ALA . 0.5 OUTLIER -60.0 -47.69 90.78 Favored 'Isoleucine or valine' 0 C--O 1.248 0.99 0 CA-C-N 113.926 -1.488 . . . . 0.0 109.817 -179.092 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.466 HG22 ' O ' ' A' ' 73' ' ' GLU . 14.3 m -67.46 -34.43 68.52 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 C-N-CA 117.727 -1.589 . . . . 0.0 109.313 178.494 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 43.6 tp -55.95 -51.56 67.25 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 118.671 -1.212 . . . . 0.0 111.925 178.095 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 35.1 m -69.13 -36.2 72.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 118.544 -1.262 . . . . 0.0 111.764 -178.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.695 ' HB2' ' HB2' ' B' ' 79' ' ' ALA . . . -67.92 -47.68 68.08 Favored 'General case' 0 C--O 1.251 1.143 0 C-N-CA 119.052 -1.059 . . . . 0.0 111.814 -179.622 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.21 -39.89 95.92 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.261 179.492 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.0 mp -65.25 -34.88 79.41 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 119.184 -1.006 . . . . 0.0 109.714 176.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 39.2 m -62.79 -50.59 70.4 Favored 'General case' 0 C--O 1.249 1.045 0 C-N-CA 119.704 -0.798 . . . . 0.0 111.386 179.739 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 14.1 p -63.21 -38.84 83.18 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 119.081 -1.048 . . . . 0.0 110.588 178.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.42 ' O ' ' CD2' ' A' ' 88' ' ' PHE . . . -64.83 -34.25 77.93 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 120.429 -0.508 . . . . 0.0 109.906 178.829 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 40.6 t -63.48 -54.5 35.41 Favored 'General case' 0 CA--C 1.508 -0.647 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.342 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -55.77 -40.4 72.56 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 118.522 -1.271 . . . . 0.0 108.702 178.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.692 ' O ' ' HB2' ' A' ' 91' ' ' GLU . 86.6 m-20 -59.77 -42.07 92.47 Favored 'General case' 0 C--O 1.204 -1.33 0 C-N-CA 120.172 -0.611 . . . . 0.0 110.563 178.734 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.522 ' O ' ' O ' ' A' ' 91' ' ' GLU . 75.9 m-85 -66.06 -36.2 82.58 Favored 'General case' 0 C--N 1.31 -1.115 0 C-N-CA 117.061 -1.856 . . . . 0.0 110.558 178.644 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -64.94 -61.8 1.95 Allowed 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 119.51 -0.876 . . . . 0.0 112.154 -178.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.503 ' CD1' ' C ' ' A' ' 90' ' ' TRP . 19.8 t-105 -68.76 -43.07 76.57 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 121.625 0.726 . . . . 0.0 111.595 179.043 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.692 ' HB2' ' O ' ' A' ' 87' ' ' ASN . 67.9 mm-40 -98.46 148.84 23.32 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.602 -1.181 . . . . 0.0 111.426 -179.023 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 59.14 43.98 16.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.684 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 32.0 p . . . . . 0 C--O 1.219 -0.537 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.51 179.968 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.561 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' SER . . . . . 0.503 ' OG ' ' OE1' ' A' ' 40' ' ' GLU . 35.6 t -118.72 140.36 50.06 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.712 0.291 . . . . 0.0 110.519 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -63.1 -37.89 89.02 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.484 ' O ' HD23 ' B' ' 4' ' ' LEU . 5.7 tt -61.13 -41.26 96.4 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -178.812 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.43 -37.67 87.6 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.393 178.273 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 43.8 m -59.14 -40.99 87.22 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.69 -46.11 83.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.526 179.192 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 99.4 mtp -59.43 -41.52 89.77 Favored 'General case' 0 C--O 1.248 0.976 0 CA-C-O 121.613 0.72 . . . . 0.0 109.932 179.519 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -65.23 -36.51 84.39 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.161 177.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 45.9 m -62.89 -43.3 99.17 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 119.709 -0.796 . . . . 0.0 110.042 179.164 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 43.7 mt -61.79 -42.47 99.04 Favored 'General case' 0 C--O 1.24 0.592 0 C-N-CA 119.117 -1.033 . . . . 0.0 108.78 179.743 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.5 mt -61.19 -45.64 98.2 Favored 'Isoleucine or valine' 0 C--O 1.231 0.114 0 C-N-CA 119.782 -0.767 . . . . 0.0 111.191 178.576 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -62.27 -41.8 98.79 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -178.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 14.5 m -73.71 -41.17 54.76 Favored 'Isoleucine or valine' 0 C--O 1.256 1.419 0 C-N-CA 119.244 -0.982 . . . . 0.0 111.562 -179.236 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.435 ' CE2' ' CG ' ' B' ' 71' ' ' PHE . 84.3 t80 -59.98 -47.94 83.73 Favored 'General case' 0 CA--C 1.51 -0.562 0 C-N-CA 119.598 -0.841 . . . . 0.0 109.775 177.674 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -65.78 -34.04 77.24 Favored 'General case' 0 CA--C 1.504 -0.81 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.566 178.237 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.531 ' O ' ' CB ' ' B' ' 21' ' ' LYS . . . -58.53 -52.47 65.49 Favored 'General case' 0 N--CA 1.436 -1.135 0 C-N-CA 118.728 -1.189 . . . . 0.0 110.195 -178.556 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.594 ' HA ' ' HZ1' ' B' ' 21' ' ' LYS . 21.7 m-70 -78.93 -48.25 14.91 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 118.543 -1.263 . . . . 0.0 113.513 -179.771 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 42.5 t -58.39 -44.16 88.83 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 119.685 -0.806 . . . . 0.0 110.676 -179.186 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.12 -43.93 31.21 Favored Glycine 0 CA--C 1.526 0.755 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.779 179.663 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.594 ' HZ1' ' HA ' ' B' ' 18' ' ' HIS . 7.3 ttpm? -59.32 -41.29 88.73 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 113.92 1.081 . . . . 0.0 113.92 -178.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.515 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 49.3 tp10 -122.84 140.97 52.37 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 113.313 0.856 . . . . 0.0 113.313 -178.094 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.29 -141.9 47.82 Favored Glycine 0 C--N 1.334 0.454 0 CA-C-N 114.777 -1.101 . . . . 0.0 112.6 177.654 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -70.58 146.33 50.18 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.083 -0.558 . . . . 0.0 109.944 179.521 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 25.4 mtmm -86.41 150.26 24.43 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 -179.532 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.486 ' OH ' ' CE3' ' A' ' 90' ' ' TRP . 88.0 m-85 60.41 14.88 5.05 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.429 ' HZ3' ' HG2' ' B' ' 68' ' ' GLU . 17.9 tptm -136.47 136.35 39.37 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 106.744 -1.576 . . . . 0.0 106.744 176.58 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.464 ' C ' ' OE2' ' B' ' 68' ' ' GLU . 14.1 tp -115.03 130.65 56.99 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 120.586 -0.445 . . . . 0.0 111.624 -175.456 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.459 ' CA ' ' OE2' ' B' ' 68' ' ' GLU . 40.3 t -104.79 158.48 16.49 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 122.52 0.328 . . . . 0.0 110.624 179.568 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 20.1 ttpt -53.12 -46.54 68.79 Favored 'General case' 0 C--O 1.24 0.561 0 CA-C-O 121.23 0.538 . . . . 0.0 111.506 -177.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.6 ' CG ' ' N ' ' B' ' 32' ' ' GLU . 47.4 pttt -59.82 -48.37 81.95 Favored 'General case' 0 N--CA 1.44 -0.932 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.67 -178.501 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.6 ' N ' ' CG ' ' B' ' 31' ' ' LYS . 95.2 mt-10 -63.12 -48.22 79.46 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.394 -0.821 . . . . 0.0 112.24 -178.406 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.2 pp -62.39 -34.23 76.32 Favored 'General case' 0 CA--C 1.496 -1.104 0 C-N-CA 118.368 -1.333 . . . . 0.0 110.026 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 14.7 tptp -54.64 -36.6 64.72 Favored 'General case' 0 N--CA 1.433 -1.293 0 C-N-CA 117.551 -1.66 . . . . 0.0 107.691 178.386 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.645 ' O ' HG23 ' B' ' 39' ' ' THR . 96.9 mt-10 -74.7 -41.78 59.58 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 120.149 -0.62 . . . . 0.0 112.479 178.79 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.748 ' O ' HD23 ' B' ' 36' ' ' LEU . 2.2 tt -64.68 -45.45 86.64 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 120.306 -0.557 . . . . 0.0 111.281 -177.554 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.573 ' O ' ' N ' ' B' ' 41' ' ' LEU . 1.1 mm? -64.25 -43.12 95.87 Favored 'General case' 0 CA--C 1.521 -0.156 0 C-N-CA 119.131 -1.027 . . . . 0.0 111.111 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -63.87 -39.74 94.89 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 120.3 -0.56 . . . . 0.0 111.993 179.608 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.645 HG23 ' O ' ' B' ' 35' ' ' GLU . 81.4 p -71.18 -37.58 72.16 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 119.76 -0.776 . . . . 0.0 111.378 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.504 ' OE1' ' OG ' ' A' ' 2' ' ' SER . 76.4 mm-40 -92.52 -53.63 4.12 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.573 ' N ' ' O ' ' B' ' 37' ' ' LEU . 28.0 mt -103.71 141.67 35.67 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.197 0.522 . . . . 0.0 111.118 -179.428 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.551 ' OG ' ' N ' ' B' ' 43' ' ' GLY . 25.1 p -114.62 -67.28 1.01 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.815 179.299 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 43' ' ' GLY . . . . . 0.551 ' N ' ' OG ' ' B' ' 42' ' ' SER . . . -57.9 -37.73 85.98 Favored Glycine 0 CA--C 1.531 1.052 0 CA-C-N 115.853 -0.612 . . . . 0.0 113.672 -178.603 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -61.09 -53.87 51.67 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 118.042 0.921 . . . . 0.0 112.237 -178.091 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -74.09 -37.6 64.12 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 120.613 -0.435 . . . . 0.0 111.427 178.367 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -59.32 -29.47 67.65 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.015 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.87 -31.6 59.91 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.642 -177.574 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -96.6 119.33 34.89 Favored 'General case' 0 C--N 1.333 -0.152 0 C-N-CA 119.388 -0.925 . . . . 0.0 109.132 179.046 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -63.05 -40.6 98.2 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 114.13 1.159 . . . . 0.0 114.13 -178.601 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -71.85 142.41 49.58 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 -177.289 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 51' ' ' VAL . . . . . 0.507 ' O ' HG12 ' B' ' 54' ' ' VAL . 5.0 m -72.05 -29.36 32.53 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.18 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 177.509 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -59.08 -25.12 63.5 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 114.304 -1.316 . . . . 0.0 108.886 177.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.453 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -52.29 -37.67 56.24 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 114.606 -1.179 . . . . 0.0 111.078 -178.105 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.551 HG13 ' N ' ' B' ' 55' ' ' ASP . 9.1 p -60.23 -42.48 90.56 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 C-N-CA 119.141 -1.023 . . . . 0.0 109.47 178.547 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.551 ' N ' HG13 ' B' ' 54' ' ' VAL . 55.8 t0 -61.89 -42.48 99.12 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.406 178.741 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 55.3 mttm -60.34 -39.09 85.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.286 179.23 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.453 HG23 ' O ' ' B' ' 53' ' ' ALA . 72.0 t -64.92 -44.04 96.19 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.324 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.249 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.467 ' CE ' ' O ' ' B' ' 67' ' ' GLY . 1.4 ppp? -70.5 -33.08 70.82 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 115.113 1.523 . . . . 0.0 115.113 -178.199 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.417 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 29.1 mmtm -59.61 -40.1 86.42 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 119.533 -0.867 . . . . 0.0 112.931 -178.394 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -70.59 -35.07 72.83 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 119.365 -0.934 . . . . 0.0 110.121 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.405 ' O ' ' CD ' ' B' ' 73' ' ' GLU . 85.1 mt -67.63 -34.72 77.53 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.851 179.579 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.609 ' OD2' ' N ' ' B' ' 67' ' ' GLY . 50.1 t0 -75.41 93.49 2.95 Favored 'General case' 0 N--CA 1.446 -0.647 0 C-N-CA 118.775 -1.17 . . . . 0.0 111.423 -178.007 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -64.24 -45.98 85.8 Favored 'General case' 0 CA--C 1.508 -0.652 0 CA-C-O 122.589 1.185 . . . . 0.0 111.238 176.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 31.1 m120 -59.18 -33.04 70.47 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-N 112.556 -2.111 . . . . 0.0 112.49 -178.616 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.81 18.51 67.7 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 108.1 -2.0 . . . . 0.0 108.1 -176.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.594 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 50.3 p30 -86.49 5.74 33.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 114.192 -1.004 . . . . 0.0 112.317 -178.543 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.609 ' N ' ' OD2' ' B' ' 62' ' ' ASP . . . 63.07 -1.38 1.91 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.167 -1.173 . . . . 0.0 110.167 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.522 ' H ' ' C ' ' B' ' 66' ' ' ASP . 36.6 tp10 -114.89 141.07 48.43 Favored 'General case' 0 C--O 1.24 0.568 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 -179.544 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 46.6 t -102.8 132.55 48.72 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.49 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 -179.137 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.493 ' OD1' ' C ' ' B' ' 70' ' ' ASP . 29.6 p30 -101.64 172.09 7.16 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.24 0.543 . . . . 0.0 110.87 -178.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.435 ' CG ' ' CE2' ' B' ' 15' ' ' PHE . 0.9 OUTLIER -54.17 -45.38 72.08 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.887 -178.507 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -61.68 -41.0 96.97 Favored 'General case' 0 C--O 1.243 0.741 0 C-N-CA 119.842 -0.743 . . . . 0.0 111.849 -179.686 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.461 ' O ' HG22 ' B' ' 76' ' ' VAL . 94.2 mt-10 -64.76 -41.8 95.6 Favored 'General case' 0 C--O 1.242 0.66 0 CA-C-O 122.052 0.93 . . . . 0.0 109.922 179.432 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -63.6 -40.99 98.35 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.221 178.108 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.609 HG13 ' HB1' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -60.08 -47.59 91.29 Favored 'Isoleucine or valine' 0 C--O 1.248 1.023 0 CA-C-N 113.901 -1.499 . . . . 0.0 109.811 -179.037 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.461 HG22 ' O ' ' B' ' 73' ' ' GLU . 14.6 m -67.58 -34.47 68.44 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 C-N-CA 117.752 -1.579 . . . . 0.0 109.186 178.565 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 43.3 tp -55.88 -51.58 67.08 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 118.68 -1.208 . . . . 0.0 111.905 178.148 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 35.2 m -69.15 -36.21 72.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 118.51 -1.276 . . . . 0.0 111.705 -178.763 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.695 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . . . -67.87 -47.72 68.11 Favored 'General case' 0 C--O 1.25 1.098 0 C-N-CA 119.032 -1.067 . . . . 0.0 111.828 -179.632 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.21 -39.88 95.9 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.214 179.551 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 5.9 mp -65.15 -35.05 79.89 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 119.23 -0.988 . . . . 0.0 109.767 176.729 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 40.2 m -62.85 -50.34 71.33 Favored 'General case' 0 C--O 1.248 0.999 0 C-N-CA 119.566 -0.854 . . . . 0.0 111.38 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 14.1 p -63.3 -38.82 83.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 C-N-CA 119.097 -1.041 . . . . 0.0 110.643 178.728 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.428 ' O ' ' CD2' ' B' ' 88' ' ' PHE . . . -64.88 -34.28 78.01 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 120.431 -0.508 . . . . 0.0 109.816 178.823 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 40.6 t -63.42 -54.5 35.7 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.354 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -55.79 -40.44 72.67 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 118.501 -1.28 . . . . 0.0 108.678 178.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 87' ' ' ASN . . . . . 0.669 ' O ' ' HB2' ' B' ' 91' ' ' GLU . 86.5 m-20 -59.64 -42.22 92.28 Favored 'General case' 0 C--O 1.203 -1.382 0 C-N-CA 120.201 -0.599 . . . . 0.0 110.575 178.743 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.529 ' O ' ' O ' ' B' ' 91' ' ' GLU . 75.5 m-85 -66.04 -36.14 82.45 Favored 'General case' 0 C--N 1.31 -1.109 0 C-N-CA 117.021 -1.872 . . . . 0.0 110.583 178.714 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -64.91 -61.87 1.91 Allowed 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 119.608 -0.837 . . . . 0.0 112.094 -178.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.509 ' C ' ' CD1' ' B' ' 90' ' ' TRP . 19.7 t-105 -68.82 -43.0 76.45 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 121.606 0.717 . . . . 0.0 111.62 179.058 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.669 ' HB2' ' O ' ' B' ' 87' ' ' ASN . 67.6 mm-40 -98.54 148.8 23.4 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.604 -1.18 . . . . 0.0 111.401 -179.048 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 59.29 43.94 16.1 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.683 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 31.5 p . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 118.049 -0.977 . . . . 0.0 110.483 -179.932 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 201' ' ' HCS . . . . . 0.512 ' N ' ' SD ' ' A' ' 201' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 201' ' ' HCS . . . . . 0.517 ' N ' ' SD ' ' B' ' 201' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.522 ' O ' ' OE1' ' B' ' 40' ' ' GLU . . . . . . . . 0 CA--C 1.525 0.693 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.8 m -81.8 9.92 7.18 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.725 0.298 . . . . 0.0 110.573 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -59.99 -36.55 77.42 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -178.408 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.504 ' O ' HD23 ' A' ' 4' ' ' LEU . 5.6 tt -60.71 -41.19 94.75 Favored 'General case' 0 C--O 1.239 0.54 0 C-N-CA 118.983 -1.087 . . . . 0.0 108.125 -178.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -65.29 -37.58 87.62 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.208 178.207 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.7 m -59.14 -40.83 86.73 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 179.21 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.03 -46.17 82.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.206 -0.907 . . . . 0.0 110.55 179.202 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 99.3 mtp -59.49 -41.52 90.03 Favored 'General case' 0 C--O 1.249 1.062 0 CA-C-O 121.809 0.814 . . . . 0.0 109.728 179.648 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.35 -35.3 80.55 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.116 177.696 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 47.7 m -64.24 -43.06 96.07 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 119.773 -0.771 . . . . 0.0 110.022 179.336 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 37.8 mt -61.67 -42.8 99.41 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 119.162 -1.015 . . . . 0.0 108.557 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.1 mt -61.28 -45.59 98.31 Favored 'Isoleucine or valine' 0 C--O 1.232 0.133 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.249 178.534 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -62.42 -41.6 98.81 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 -178.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.7 m -74.1 -40.88 51.93 Favored 'Isoleucine or valine' 0 C--O 1.257 1.459 0 C-N-CA 119.303 -0.959 . . . . 0.0 111.3 -179.337 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.429 ' CE2' ' CG ' ' A' ' 71' ' ' PHE . 82.3 t80 -59.93 -47.32 86.26 Favored 'General case' 0 CA--C 1.508 -0.67 0 C-N-CA 119.809 -0.756 . . . . 0.0 109.437 177.593 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -66.02 -33.76 76.53 Favored 'General case' 0 CA--C 1.504 -0.793 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.547 178.065 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.526 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . -58.86 -52.47 65.59 Favored 'General case' 0 N--CA 1.437 -1.103 0 C-N-CA 118.766 -1.174 . . . . 0.0 110.172 -178.462 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.466 ' ND1' ' HG ' ' A' ' 36' ' ' LEU . 43.8 m80 -78.74 -47.85 16.03 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 118.8 -1.16 . . . . 0.0 113.432 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.1 t -58.58 -43.5 89.48 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 119.906 -0.718 . . . . 0.0 110.915 -179.135 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -75.91 -43.98 20.73 Favored Glycine 0 CA--C 1.527 0.841 0 C-N-CA 120.975 -0.631 . . . . 0.0 111.641 179.695 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.526 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 6.9 ttpm? -59.04 -39.82 83.18 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 -179.198 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.492 ' OE2' ' OE1' ' A' ' 35' ' ' GLU . 97.1 mt-10 -121.73 147.37 46.0 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 -178.845 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 52.95 -142.07 27.88 Favored Glycine 0 C--N 1.334 0.436 0 CA-C-N 114.754 -1.112 . . . . 0.0 112.586 177.45 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -70.67 146.97 49.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 114.934 -0.633 . . . . 0.0 109.803 179.434 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -85.68 149.77 25.08 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 -179.323 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.431 ' CE2' ' CZ3' ' B' ' 90' ' ' TRP . 88.7 m-85 60.36 15.79 5.74 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 112.184 0.438 . . . . 0.0 112.184 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.3 tptt -135.79 137.63 41.8 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 106.443 -1.688 . . . . 0.0 106.443 176.663 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.457 ' C ' ' OE2' ' A' ' 68' ' ' GLU . 13.7 tp -114.46 129.65 56.67 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 120.239 -0.584 . . . . 0.0 111.474 -175.551 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.446 ' CA ' ' OE2' ' A' ' 68' ' ' GLU . 41.0 t -105.53 159.13 16.18 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 122.484 0.313 . . . . 0.0 110.79 179.589 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.4 ttpt -52.94 -46.98 68.37 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-O 121.123 0.487 . . . . 0.0 111.786 -178.156 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.603 ' CG ' ' N ' ' A' ' 32' ' ' GLU . 54.0 pttt -59.88 -48.05 83.28 Favored 'General case' 0 N--CA 1.44 -0.926 0 C-N-CA 119.982 -0.687 . . . . 0.0 109.736 -178.508 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.603 ' N ' ' CG ' ' A' ' 31' ' ' LYS . 94.9 mt-10 -63.44 -48.3 78.31 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.231 -0.895 . . . . 0.0 112.318 -178.321 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 pp -62.75 -33.93 76.17 Favored 'General case' 0 CA--C 1.498 -1.028 0 C-N-CA 118.466 -1.294 . . . . 0.0 110.094 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.493 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 0.9 OUTLIER -54.53 -36.75 64.59 Favored 'General case' 0 N--CA 1.434 -1.231 0 C-N-CA 117.785 -1.566 . . . . 0.0 107.497 178.13 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.853 ' O ' HG23 ' A' ' 39' ' ' THR . 97.2 mt-10 -75.48 -41.21 56.01 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 178.659 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.742 ' O ' HD23 ' A' ' 36' ' ' LEU . 2.7 tt -65.42 -46.01 81.66 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 120.073 -0.651 . . . . 0.0 111.472 -177.117 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.577 ' O ' ' N ' ' A' ' 41' ' ' LEU . 1.1 mm? -65.05 -43.37 92.52 Favored 'General case' 0 CA--C 1.52 -0.196 0 C-N-CA 119.08 -1.048 . . . . 0.0 111.206 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.493 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 25.7 mt-30 -64.25 -39.49 94.06 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.492 -0.483 . . . . 0.0 111.934 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.853 HG23 ' O ' ' A' ' 35' ' ' GLU . 64.6 p -71.1 -38.21 72.37 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.112 -0.635 . . . . 0.0 111.259 -179.725 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.52 ' OE1' ' O ' ' B' ' 1' ' ' GLY . 79.2 mm-40 -92.76 -52.36 4.66 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.577 ' N ' ' O ' ' A' ' 37' ' ' LEU . 29.1 mt -104.09 141.46 36.18 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 121.155 0.503 . . . . 0.0 111.242 -179.352 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.2 m -113.53 -67.63 0.98 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.493 178.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.87 -37.79 91.36 Favored Glycine 0 CA--C 1.532 1.097 0 CA-C-N 115.562 -0.745 . . . . 0.0 113.89 -178.693 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -60.18 -52.75 63.98 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 118.0 0.9 . . . . 0.0 112.171 -178.077 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -75.78 -41.12 53.91 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 120.343 -0.543 . . . . 0.0 111.344 178.251 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 57.0 t0 -60.87 -32.98 72.39 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.554 -0.748 . . . . 0.0 112.346 -179.216 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.1 -37.78 75.18 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -177.202 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -63.29 -33.87 76.44 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 119.742 -0.783 . . . . 0.0 109.318 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt 72.19 -40.21 0.47 Allowed 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.004 -0.998 . . . . 0.0 112.467 179.341 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -71.14 142.68 50.72 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.459 -0.497 . . . . 0.0 111.837 -179.155 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.5 ' O ' HG12 ' A' ' 54' ' ' VAL . 5.2 m -71.48 -30.08 37.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 178.292 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -61.39 -26.48 67.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.582 -1.19 . . . . 0.0 109.779 178.28 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.516 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -52.27 -38.0 57.01 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.066 -0.97 . . . . 0.0 111.707 -177.141 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.594 HG13 ' N ' ' A' ' 55' ' ' ASP . 7.5 p -59.88 -43.94 93.19 Favored 'Isoleucine or valine' 0 C--O 1.238 0.467 0 C-N-CA 119.152 -1.019 . . . . 0.0 109.923 179.156 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.594 ' N ' HG13 ' A' ' 54' ' ' VAL . 88.8 m-20 -62.54 -43.4 98.91 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.025 179.195 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -60.99 -39.43 89.63 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.476 179.521 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 53' ' ' ALA . 76.1 t -65.81 -45.15 92.33 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.381 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.787 -179.604 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.499 ' CE ' ' O ' ' A' ' 67' ' ' GLY . 0.3 OUTLIER -70.92 -34.73 71.81 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 -178.721 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.422 ' N ' ' HG3' ' A' ' 58' ' ' MET . 13.9 mtmt -60.14 -40.89 91.41 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 113.239 0.829 . . . . 0.0 113.239 -178.312 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -71.76 -36.71 70.49 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 119.686 -0.806 . . . . 0.0 110.683 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.402 ' O ' ' CD ' ' A' ' 73' ' ' GLU . 93.2 mt -67.7 -34.43 76.86 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-N 115.87 -0.604 . . . . 0.0 112.288 179.58 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.613 ' OD2' ' N ' ' A' ' 67' ' ' GLY . 50.7 t0 -75.53 93.02 2.95 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 118.69 -1.204 . . . . 0.0 111.265 -178.064 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 79.5 tt0 -63.71 -45.82 88.26 Favored 'General case' 0 CA--C 1.507 -0.676 0 CA-C-O 122.612 1.196 . . . . 0.0 111.23 177.029 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 30.9 m120 -59.2 -33.29 70.79 Favored 'General case' 0 C--N 1.299 -1.623 0 CA-C-N 112.476 -2.147 . . . . 0.0 112.452 -178.678 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.37 19.34 66.78 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 108.056 -2.018 . . . . 0.0 108.056 -176.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.589 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 48.5 p30 -86.66 5.6 35.19 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 114.203 -0.999 . . . . 0.0 112.405 -178.449 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.613 ' N ' ' OD2' ' A' ' 62' ' ' ASP . . . 64.15 -2.36 2.23 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.317 -1.113 . . . . 0.0 110.317 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.511 ' H ' ' C ' ' A' ' 66' ' ' ASP . 37.7 tp10 -114.69 140.5 48.8 Favored 'General case' 0 C--O 1.239 0.519 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 -179.676 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 48.1 t -102.26 132.67 47.8 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.475 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 -179.433 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.494 ' C ' ' OD1' ' A' ' 70' ' ' ASP . 28.7 p30 -101.55 172.12 7.16 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.896 -178.491 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.429 ' CG ' ' CE2' ' A' ' 15' ' ' PHE . 0.9 OUTLIER -54.36 -45.25 72.71 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.36 -0.837 . . . . 0.0 110.944 -178.504 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -61.58 -41.14 96.98 Favored 'General case' 0 C--O 1.245 0.864 0 O-C-N 121.505 -0.747 . . . . 0.0 111.846 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.472 ' O ' HG22 ' A' ' 76' ' ' VAL . 94.6 mt-10 -64.7 -41.99 95.61 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 122.174 0.987 . . . . 0.0 109.909 179.452 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -63.55 -40.82 98.0 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-O 122.391 1.091 . . . . 0.0 110.211 178.188 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.608 HG13 ' HB1' ' B' ' 79' ' ' ALA . 0.5 OUTLIER -60.2 -47.5 91.88 Favored 'Isoleucine or valine' 0 C--O 1.247 0.96 0 CA-C-N 113.848 -1.524 . . . . 0.0 109.882 -179.083 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.472 HG22 ' O ' ' A' ' 73' ' ' GLU . 15.6 m -67.46 -34.42 68.48 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.546 0 C-N-CA 117.669 -1.612 . . . . 0.0 109.101 178.516 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 48.0 tp -55.76 -51.76 66.29 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 118.762 -1.175 . . . . 0.0 111.998 178.135 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 34.7 m -69.47 -35.53 67.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 118.607 -1.237 . . . . 0.0 111.815 -178.787 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.715 ' HB2' ' HB2' ' B' ' 79' ' ' ALA . . . -68.38 -48.12 65.57 Favored 'General case' 0 C--O 1.25 1.079 0 C-N-CA 118.933 -1.107 . . . . 0.0 111.759 -179.642 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.05 -39.86 95.99 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.0 179.682 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.9 mp -65.52 -34.53 78.48 Favored 'General case' 0 C--O 1.219 -0.514 0 C-N-CA 119.22 -0.992 . . . . 0.0 109.994 176.588 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 36.6 m -62.93 -50.43 70.86 Favored 'General case' 0 C--O 1.248 1.008 0 C-N-CA 119.576 -0.849 . . . . 0.0 111.248 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.4 p -63.89 -38.37 82.18 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 119.163 -1.015 . . . . 0.0 110.543 178.66 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.53 -30.33 71.06 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.972 178.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 12.6 t -69.12 -54.3 15.68 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.418 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -55.75 -40.93 73.24 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 118.439 -1.305 . . . . 0.0 108.425 178.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -59.97 -37.5 79.79 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.886 177.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.526 ' O ' ' O ' ' A' ' 91' ' ' GLU . 67.2 t80 -63.33 -46.85 84.75 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.059 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.42 ' O ' ' CB ' ' A' ' 93' ' ' SER . 67.7 t80 -65.65 -52.48 51.42 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.314 -0.554 . . . . 0.0 111.988 -179.325 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.496 ' CD1' ' C ' ' A' ' 90' ' ' TRP . 21.2 t-105 -63.35 -39.24 93.99 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 121.297 0.57 . . . . 0.0 112.296 179.773 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.554 ' OE1' ' N ' ' A' ' 92' ' ' ASN . 2.8 tm-20 -100.91 143.28 31.25 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.062 -177.236 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.554 ' N ' ' OE1' ' A' ' 91' ' ' GLU . 18.7 t-20 58.98 45.3 15.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.503 -179.283 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.42 ' CB ' ' O ' ' A' ' 89' ' ' PHE . 41.3 t . . . . . 0 C--O 1.221 -0.426 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.54 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 1' ' ' GLY . . . . . 0.52 ' O ' ' OE1' ' A' ' 40' ' ' GLU . . . . . . . . 0 CA--C 1.525 0.674 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 75.8 m -81.85 9.95 7.19 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.775 0.321 . . . . 0.0 110.605 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -59.83 -36.82 77.59 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -178.473 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.503 ' O ' HD23 ' B' ' 4' ' ' LEU . 5.6 tt -60.47 -41.31 93.9 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 118.99 -1.084 . . . . 0.0 108.185 -178.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -65.24 -37.67 87.97 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.186 178.209 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 44.3 m -59.08 -40.64 85.88 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 179.204 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.24 -46.1 81.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.557 179.2 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 99.2 mtp -59.6 -41.54 90.54 Favored 'General case' 0 C--O 1.25 1.09 0 CA-C-O 121.692 0.758 . . . . 0.0 109.761 179.634 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.18 -36.15 83.31 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.32 -0.855 . . . . 0.0 109.987 177.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 45.9 m -63.42 -43.21 98.13 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 119.733 -0.787 . . . . 0.0 110.212 179.205 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 44.3 mt -61.67 -42.71 99.29 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 119.181 -1.007 . . . . 0.0 108.635 179.718 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.1 mt -61.29 -45.6 98.29 Favored 'Isoleucine or valine' 0 C--O 1.232 0.147 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.26 178.531 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -62.31 -41.65 98.71 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 -178.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 13.7 m -74.07 -40.91 52.13 Favored 'Isoleucine or valine' 0 C--O 1.256 1.401 0 C-N-CA 119.338 -0.945 . . . . 0.0 111.337 -179.305 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.425 ' CE2' ' CG ' ' B' ' 71' ' ' PHE . 82.6 t80 -59.88 -47.33 86.18 Favored 'General case' 0 CA--C 1.507 -0.678 0 C-N-CA 119.822 -0.751 . . . . 0.0 109.479 177.535 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -65.98 -33.83 76.71 Favored 'General case' 0 CA--C 1.504 -0.813 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.594 178.028 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.534 ' O ' ' CB ' ' B' ' 21' ' ' LYS . . . -58.86 -52.46 65.62 Favored 'General case' 0 N--CA 1.437 -1.104 0 C-N-CA 118.801 -1.159 . . . . 0.0 110.159 -178.489 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.505 ' HA ' ' HZ1' ' B' ' 21' ' ' LYS . 43.7 m80 -78.64 -48.0 15.93 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 118.794 -1.162 . . . . 0.0 113.462 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 47.1 t -58.5 -43.62 89.13 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 119.944 -0.702 . . . . 0.0 110.888 -179.16 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -75.89 -43.96 20.9 Favored Glycine 0 CA--C 1.526 0.764 0 C-N-CA 120.953 -0.641 . . . . 0.0 111.648 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.534 ' CB ' ' O ' ' B' ' 17' ' ' ALA . 6.9 ttpm? -59.0 -39.83 83.01 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 -179.252 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.478 ' OE2' ' OE1' ' B' ' 35' ' ' GLU . 97.2 mt-10 -121.8 147.48 45.9 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 113.758 1.021 . . . . 0.0 113.758 -178.826 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 52.87 -142.09 27.46 Favored Glycine 0 C--N 1.335 0.486 0 CA-C-N 114.714 -1.13 . . . . 0.0 112.538 177.443 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -70.56 146.84 49.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 114.959 -0.621 . . . . 0.0 109.891 179.375 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 9.3 mtmp? -85.58 149.68 25.18 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 -179.33 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.427 ' CE2' ' CZ3' ' A' ' 90' ' ' TRP . 88.7 m-85 60.55 15.65 5.83 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 112.049 0.389 . . . . 0.0 112.049 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 33.0 tptt -135.74 137.78 42.03 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 106.512 -1.662 . . . . 0.0 106.512 176.592 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.473 ' C ' ' OE2' ' B' ' 68' ' ' GLU . 13.7 tp -114.57 129.64 56.69 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 120.224 -0.59 . . . . 0.0 111.455 -175.466 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.46 ' CA ' ' OE2' ' B' ' 68' ' ' GLU . 41.7 t -105.5 159.06 16.23 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.765 179.614 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 23.4 ttpt -52.92 -46.87 68.26 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-O 121.23 0.538 . . . . 0.0 111.831 -178.178 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.595 ' HG3' ' N ' ' B' ' 32' ' ' GLU . 54.3 pttt -60.03 -48.13 82.99 Favored 'General case' 0 N--CA 1.44 -0.944 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.56 -178.413 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.595 ' N ' ' HG3' ' B' ' 31' ' ' LYS . 94.9 mt-10 -63.3 -48.35 78.48 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 115.278 -0.874 . . . . 0.0 112.323 -178.348 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 pp -62.83 -33.85 76.09 Favored 'General case' 0 CA--C 1.498 -1.048 0 C-N-CA 118.54 -1.264 . . . . 0.0 110.122 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.454 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 0.9 OUTLIER -54.57 -36.64 64.59 Favored 'General case' 0 N--CA 1.435 -1.182 0 C-N-CA 117.714 -1.595 . . . . 0.0 107.533 178.028 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.869 ' O ' HG23 ' B' ' 39' ' ' THR . 97.2 mt-10 -75.55 -41.19 55.53 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 178.654 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.737 ' O ' HD23 ' B' ' 36' ' ' LEU . 2.8 tt -65.45 -45.91 81.91 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 120.041 -0.664 . . . . 0.0 111.535 -177.16 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.576 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 1.1 mm? -65.06 -43.43 92.29 Favored 'General case' 0 CA--C 1.521 -0.168 0 C-N-CA 119.123 -1.031 . . . . 0.0 111.188 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.454 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 25.7 mt-30 -64.19 -39.62 94.38 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.521 -0.472 . . . . 0.0 111.92 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.869 HG23 ' O ' ' B' ' 35' ' ' GLU . 65.4 p -70.96 -38.27 72.81 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.17 -0.612 . . . . 0.0 111.304 -179.723 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.522 ' OE1' ' O ' ' A' ' 1' ' ' GLY . 79.3 mm-40 -92.78 -52.3 4.68 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 112.327 0.491 . . . . 0.0 112.327 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.576 ' N ' ' O ' ' B' ' 37' ' ' LEU . 28.8 mt -104.11 141.44 36.23 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 121.176 0.512 . . . . 0.0 111.269 -179.371 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.2 m -113.55 -67.55 0.99 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.53 178.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.96 -37.69 91.68 Favored Glycine 0 CA--C 1.531 1.09 0 CA-C-N 115.567 -0.742 . . . . 0.0 113.825 -178.715 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -60.23 -52.78 63.85 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 118.092 0.946 . . . . 0.0 112.078 -178.025 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -75.76 -41.28 53.57 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 120.346 -0.541 . . . . 0.0 111.265 178.323 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -60.65 -33.13 72.34 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.562 -0.744 . . . . 0.0 112.367 -179.217 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.04 -37.82 75.08 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -177.174 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -63.27 -33.86 76.42 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 119.7 -0.8 . . . . 0.0 109.333 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt 72.17 -40.21 0.47 Allowed 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.048 -0.978 . . . . 0.0 112.473 179.342 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -71.14 142.66 50.73 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.43 -0.508 . . . . 0.0 111.795 -179.178 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 51' ' ' VAL . . . . . 0.502 ' O ' HG12 ' B' ' 54' ' ' VAL . 5.2 m -71.42 -30.03 37.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 178.198 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -61.44 -26.44 67.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.564 -1.198 . . . . 0.0 109.833 178.294 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.516 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -52.33 -37.92 57.23 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.987 -1.006 . . . . 0.0 111.689 -177.106 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.593 HG13 ' N ' ' B' ' 55' ' ' ASP . 7.7 p -59.99 -43.92 93.54 Favored 'Isoleucine or valine' 0 C--O 1.238 0.47 0 C-N-CA 119.094 -1.043 . . . . 0.0 109.904 179.186 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.593 ' N ' HG13 ' B' ' 54' ' ' VAL . 88.5 m-20 -62.45 -43.42 98.85 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.107 179.116 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -60.92 -39.54 89.79 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.409 179.523 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.516 HG23 ' O ' ' B' ' 53' ' ' ALA . 76.2 t -65.74 -45.19 92.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.804 -179.601 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.503 ' CE ' ' O ' ' B' ' 67' ' ' GLY . 0.3 OUTLIER -70.84 -34.8 72.05 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 -178.763 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.409 ' N ' ' HG3' ' B' ' 58' ' ' MET . 13.9 mtmt -60.11 -40.9 91.28 Favored 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 113.261 0.837 . . . . 0.0 113.261 -178.306 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -71.73 -36.71 70.57 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 119.59 -0.844 . . . . 0.0 110.696 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 93.2 mt -67.72 -34.45 76.89 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.212 179.675 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.604 ' OD2' ' N ' ' B' ' 67' ' ' GLY . 50.7 t0 -75.46 93.11 2.92 Favored 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 118.714 -1.194 . . . . 0.0 111.244 -178.088 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 79.5 tt0 -63.91 -45.73 87.98 Favored 'General case' 0 CA--C 1.508 -0.642 0 CA-C-O 122.604 1.193 . . . . 0.0 111.165 177.063 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -59.12 -33.36 70.78 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-N 112.549 -2.114 . . . . 0.0 112.536 -178.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.42 19.29 66.77 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 108.025 -2.03 . . . . 0.0 108.025 -177.024 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.589 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 48.7 p30 -86.63 5.57 35.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 114.258 -0.971 . . . . 0.0 112.471 -178.472 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.604 ' N ' ' OD2' ' B' ' 62' ' ' ASP . . . 64.23 -2.41 2.26 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.271 -1.132 . . . . 0.0 110.271 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.513 ' H ' ' C ' ' B' ' 66' ' ' ASP . 37.1 tp10 -114.73 140.59 48.75 Favored 'General case' 0 C--O 1.24 0.604 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 -179.637 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 48.3 t -102.34 132.72 47.8 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.405 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 -179.315 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.495 ' OD1' ' C ' ' B' ' 70' ' ' ASP . 29.4 p30 -101.43 172.19 7.13 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 120.327 -0.549 . . . . 0.0 110.98 -178.55 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.425 ' CG ' ' CE2' ' B' ' 15' ' ' PHE . 0.9 OUTLIER -54.37 -45.36 72.79 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.795 -178.502 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -61.53 -41.31 97.13 Favored 'General case' 0 C--O 1.244 0.804 0 C-N-CA 119.952 -0.699 . . . . 0.0 111.78 -179.596 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.469 ' O ' HG22 ' B' ' 76' ' ' VAL . 94.6 mt-10 -64.62 -41.99 95.81 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-O 122.202 1.001 . . . . 0.0 109.97 179.485 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -63.46 -40.89 98.32 Favored 'General case' 0 C--O 1.241 0.644 0 CA-C-N 114.804 -1.089 . . . . 0.0 110.197 178.128 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.611 HG13 ' HB1' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -60.24 -47.49 91.98 Favored 'Isoleucine or valine' 0 C--O 1.248 1.005 0 CA-C-N 113.931 -1.486 . . . . 0.0 109.831 -178.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.469 HG22 ' O ' ' B' ' 73' ' ' GLU . 15.5 m -67.34 -34.51 69.37 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.531 0 C-N-CA 117.735 -1.586 . . . . 0.0 109.12 178.481 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 47.9 tp -55.66 -51.82 65.94 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 118.785 -1.166 . . . . 0.0 112.049 178.124 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 34.7 m -69.49 -35.49 66.89 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.263 0 C-N-CA 118.552 -1.259 . . . . 0.0 111.796 -178.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.715 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . . . -68.44 -48.13 65.37 Favored 'General case' 0 C--O 1.249 1.061 0 C-N-CA 118.923 -1.111 . . . . 0.0 111.714 -179.608 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.9 -39.93 96.0 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.036 179.627 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 5.8 mp -65.58 -34.56 78.52 Favored 'General case' 0 C--O 1.22 -0.45 0 C-N-CA 119.244 -0.982 . . . . 0.0 109.903 176.641 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 36.8 m -62.89 -50.45 70.83 Favored 'General case' 0 C--O 1.247 0.948 0 C-N-CA 119.578 -0.849 . . . . 0.0 111.163 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 13.5 p -63.88 -38.34 82.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 C-N-CA 119.121 -1.031 . . . . 0.0 110.522 178.65 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.49 -30.37 71.14 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 121.135 0.493 . . . . 0.0 110.06 178.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 12.4 t -69.07 -54.25 16.08 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.429 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -55.87 -40.98 73.7 Favored 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 118.396 -1.322 . . . . 0.0 108.378 178.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -59.88 -37.42 79.33 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.962 177.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.529 ' O ' ' O ' ' B' ' 91' ' ' GLU . 67.3 t80 -63.33 -46.97 84.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 89' ' ' PHE . . . . . 0.418 ' O ' ' CB ' ' B' ' 93' ' ' SER . 68.1 t80 -65.7 -52.4 51.68 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 120.266 -0.574 . . . . 0.0 111.949 -179.186 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.495 ' CD1' ' C ' ' B' ' 90' ' ' TRP . 21.1 t-105 -63.35 -39.3 94.16 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.277 0.56 . . . . 0.0 112.301 179.766 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.547 ' OE1' ' N ' ' B' ' 92' ' ' ASN . 2.9 tm-20 -100.82 143.24 31.21 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.124 -177.289 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 92' ' ' ASN . . . . . 0.547 ' N ' ' OE1' ' B' ' 91' ' ' GLU . 18.8 t-20 59.0 45.35 15.01 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.458 -179.286 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 93' ' ' SER . . . . . 0.418 ' CB ' ' O ' ' B' ' 89' ' ' PHE . 41.3 t . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.525 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 201' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 201' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.701 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.8 p -124.14 154.96 39.28 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -61.94 -38.43 88.44 Favored 'General case' 0 C--O 1.24 0.579 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 -178.643 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.622 ' O ' HD23 ' A' ' 4' ' ' LEU . 1.7 tt -61.74 -41.65 97.93 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 118.982 -1.087 . . . . 0.0 108.408 -178.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -65.14 -37.69 88.23 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.523 178.061 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.7 m -59.59 -42.21 92.05 Favored 'General case' 0 C--O 1.239 0.511 0 C-N-CA 119.837 -0.745 . . . . 0.0 109.356 179.495 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.85 -45.09 91.07 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.114 179.123 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.406 ' SD ' HD22 ' A' ' 4' ' ' LEU . 99.4 mtp -60.18 -40.83 91.37 Favored 'General case' 0 C--O 1.245 0.868 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.362 179.615 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.56 -36.58 84.69 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 120.174 -0.611 . . . . 0.0 109.513 177.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 58.6 m -63.86 -42.03 97.64 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 119.529 -0.869 . . . . 0.0 110.036 178.686 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.471 ' HB2' HG21 ' B' ' 82' ' ' THR . 37.2 mt -59.12 -43.21 91.95 Favored 'General case' 0 C--O 1.241 0.634 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 179.774 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 98.4 mt -62.09 -45.16 99.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 114.726 -1.124 . . . . 0.0 111.893 178.726 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -61.16 -41.24 96.42 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -178.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.1 m -72.91 -37.76 54.98 Favored 'Isoleucine or valine' 0 C--O 1.255 1.348 0 C-N-CA 118.915 -1.114 . . . . 0.0 110.135 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.744 ' HA ' ' CE1' ' A' ' 18' ' ' HIS . 86.4 t80 -59.77 -42.56 93.6 Favored 'General case' 0 C--O 1.241 0.623 0 C-N-CA 119.206 -0.997 . . . . 0.0 109.926 177.357 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -67.85 -35.26 78.24 Favored 'General case' 0 N--CA 1.437 -1.108 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.82 177.696 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.587 ' O ' ' HB2' ' A' ' 21' ' ' LYS . . . -59.29 -50.59 73.39 Favored 'General case' 0 N--CA 1.437 -1.099 0 C-N-CA 118.929 -1.108 . . . . 0.0 111.235 -178.325 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.744 ' CE1' ' HA ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -81.31 -48.99 11.26 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 117.218 -1.793 . . . . 0.0 113.767 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.439 ' OG ' ' O ' ' A' ' 25' ' ' LYS . 23.2 t -60.92 -40.23 92.39 Favored 'General case' 0 C--N 1.351 0.636 0 C-N-CA 118.458 -1.297 . . . . 0.0 109.829 -179.479 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -73.54 -44.93 31.16 Favored Glycine 0 C--N 1.343 0.956 0 CA-C-N 115.777 -0.647 . . . . 0.0 112.449 179.061 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.587 ' HB2' ' O ' ' A' ' 17' ' ' ALA . 5.8 ttpm? -58.8 -43.34 90.53 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.124 -0.63 . . . . 0.0 111.291 -179.579 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.505 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 97.0 mt-10 -132.78 145.4 50.97 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 120.563 -0.455 . . . . 0.0 111.303 178.339 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.66 -162.98 54.38 Favored Glycine 0 CA--C 1.521 0.464 0 N-CA-C 111.384 -0.686 . . . . 0.0 111.384 178.006 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -68.88 143.66 54.45 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 178.215 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.439 ' O ' ' OG ' ' A' ' 19' ' ' SER . 25.5 mtmm -60.05 -32.14 70.64 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 -177.645 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.601 ' OH ' ' CE3' ' B' ' 90' ' ' TRP . 98.3 m-85 -107.29 19.69 19.99 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 113.342 0.868 . . . . 0.0 113.342 -178.065 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.421 ' HZ3' ' HG2' ' A' ' 68' ' ' GLU . 16.7 tptm -139.65 140.36 36.9 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 119.103 -1.039 . . . . 0.0 109.23 179.509 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.656 HD11 ' CD2' ' A' ' 18' ' ' HIS . 17.8 tp -117.65 130.7 56.53 Favored 'General case' 0 CA--C 1.528 0.112 0 C-N-CA 120.555 -0.458 . . . . 0.0 111.984 -177.074 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.463 ' CA ' ' OE2' ' A' ' 68' ' ' GLU . 80.9 p -105.07 166.08 10.64 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 179.314 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.4 ttpm? -52.98 -47.0 68.51 Favored 'General case' 0 C--O 1.241 0.634 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 -177.077 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.583 ' HG3' ' N ' ' A' ' 32' ' ' GLU . 51.2 pttt -59.5 -46.51 88.62 Favored 'General case' 0 N--CA 1.439 -1.0 0 C-N-CA 119.729 -0.788 . . . . 0.0 109.885 -178.501 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.583 ' N ' ' HG3' ' A' ' 31' ' ' LYS . 93.0 mt-10 -61.3 -51.29 69.5 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 119.845 -0.742 . . . . 0.0 111.798 -177.834 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.07 -37.27 76.68 Favored 'General case' 0 CA--C 1.507 -0.679 0 C-N-CA 116.954 -1.898 . . . . 0.0 109.363 178.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.0 tptm -54.13 -36.36 63.19 Favored 'General case' 0 N--CA 1.439 -1.004 0 C-N-CA 118.152 -1.419 . . . . 0.0 108.197 -179.438 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.888 ' O ' HG23 ' A' ' 39' ' ' THR . 76.9 mm-40 -73.8 -43.37 59.07 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 120.114 -0.634 . . . . 0.0 112.523 178.784 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.82 ' O ' HD23 ' A' ' 36' ' ' LEU . 5.9 tt -67.03 -46.68 73.7 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 118.48 -1.288 . . . . 0.0 111.977 -177.349 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.55 ' O ' ' O ' ' A' ' 41' ' ' LEU . 2.9 mm? -59.35 -43.38 92.79 Favored 'General case' 0 CA--C 1.514 -0.418 0 C-N-CA 118.463 -1.295 . . . . 0.0 110.368 -178.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -64.13 -38.98 93.01 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.244 -0.582 . . . . 0.0 111.604 178.758 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.888 HG23 ' O ' ' A' ' 35' ' ' GLU . 61.9 p -71.54 -34.43 70.02 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 -179.091 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -101.01 -57.66 2.05 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 112.654 0.612 . . . . 0.0 112.654 -179.121 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.55 ' O ' ' O ' ' A' ' 37' ' ' LEU . 30.5 mt -96.68 143.29 27.77 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.183 0.516 . . . . 0.0 111.09 -178.325 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.53 ' OG ' ' N ' ' A' ' 43' ' ' GLY . 90.6 p -111.57 -76.72 0.59 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.773 179.371 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.53 ' N ' ' OG ' ' A' ' 42' ' ' SER . . . -57.15 -36.03 72.89 Favored Glycine 0 CA--C 1.532 1.094 0 CA-C-N 115.663 -0.699 . . . . 0.0 114.021 -178.613 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -60.49 -57.78 11.27 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 118.196 0.998 . . . . 0.0 112.543 -177.605 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.463 ' O ' HD13 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -72.88 -40.59 65.47 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-O 121.703 0.763 . . . . 0.0 110.037 -179.794 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.433 ' CB ' ' O ' ' A' ' 42' ' ' SER . 59.5 t0 -62.5 -29.94 70.91 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 114.549 -1.205 . . . . 0.0 113.069 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.5 ' HB2' ' O ' ' A' ' 43' ' ' GLY . . . -54.69 -34.13 61.87 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -176.116 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 91.6 mm-40 -62.31 -36.33 81.82 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 119.532 -0.867 . . . . 0.0 109.199 179.655 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.536 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 98.2 mttt 61.37 36.3 17.53 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.172 -0.922 . . . . 0.0 112.92 178.776 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.536 ' OD1' ' O ' ' A' ' 49' ' ' LYS . 92.3 m-20 -144.66 149.02 34.96 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 120.974 -0.291 . . . . 0.0 110.561 178.167 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.562 ' O ' HG12 ' A' ' 54' ' ' VAL . 6.8 m -72.84 -32.65 41.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 N-CA-C 108.955 -0.758 . . . . 0.0 108.955 178.151 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -62.01 -30.04 70.68 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 114.832 -1.076 . . . . 0.0 110.529 178.39 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.546 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -53.42 -37.24 62.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.194 -0.912 . . . . 0.0 112.298 -176.825 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.562 HG12 ' O ' ' A' ' 51' ' ' VAL . 9.0 p -61.24 -43.59 96.77 Favored 'Isoleucine or valine' 0 C--O 1.24 0.598 0 C-N-CA 118.678 -1.209 . . . . 0.0 109.999 179.154 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.554 ' N ' HG13 ' A' ' 54' ' ' VAL . 92.5 m-20 -61.92 -43.47 98.78 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.06 179.055 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 55.7 mttm -62.25 -39.25 92.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.378 179.198 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 53' ' ' ALA . 61.6 t -65.32 -44.19 94.87 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.475 0 CA-C-N 115.504 -0.771 . . . . 0.0 112.644 -178.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.428 ' CE ' ' O ' ' A' ' 67' ' ' GLY . 0.0 OUTLIER -66.27 -32.68 74.24 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 119.262 -0.975 . . . . 0.0 113.545 -179.011 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 36.2 mmtt -60.1 -41.35 92.37 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 -178.441 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -72.36 -35.43 68.51 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 119.417 -0.913 . . . . 0.0 110.572 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 79.3 mt -67.33 -34.84 78.19 Favored 'General case' 0 CA--C 1.509 -0.612 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.456 179.591 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.538 ' OD2' ' N ' ' A' ' 66' ' ' ASP . 41.2 t0 -71.61 78.15 0.82 Allowed 'General case' 0 N--CA 1.443 -0.789 0 C-N-CA 118.954 -1.098 . . . . 0.0 110.841 -178.235 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -64.09 -38.21 90.25 Favored 'General case' 0 CA--C 1.501 -0.916 0 CA-C-O 123.156 1.455 . . . . 0.0 107.399 176.227 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.473 ' OD1' ' CG ' ' A' ' 66' ' ' ASP . 17.3 t-20 -58.39 -39.4 79.55 Favored 'General case' 0 N--CA 1.432 -1.336 0 CA-C-N 111.568 -2.56 . . . . 0.0 112.122 178.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.511 ' H ' ' CG ' ' A' ' 62' ' ' ASP . . . 87.33 12.99 66.54 Favored Glycine 0 CA--C 1.533 1.188 0 C-N-CA 121.136 -0.554 . . . . 0.0 112.753 178.801 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.538 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 55.0 p30 -91.18 5.47 48.92 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 -179.689 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.428 ' O ' ' CE ' ' A' ' 58' ' ' MET . . . 71.22 1.95 45.15 Favored Glycine 0 N--CA 1.466 0.686 0 N-CA-C 110.092 -1.203 . . . . 0.0 110.092 179.628 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.478 ' OE2' ' C ' ' A' ' 28' ' ' LEU . 44.2 tp10 -117.33 144.24 45.11 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 -179.687 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.419 ' HA ' ' OE1' ' A' ' 73' ' ' GLU . 59.7 t -99.65 132.5 45.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 C-N-CA 120.691 -0.404 . . . . 0.0 109.991 -178.805 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.504 ' C ' ' OD1' ' A' ' 70' ' ' ASP . 16.8 p30 -104.75 171.65 7.21 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 119.938 -0.705 . . . . 0.0 110.075 -179.339 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -53.84 -45.0 70.77 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.368 -178.634 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -61.34 -40.28 93.65 Favored 'General case' 0 C--O 1.243 0.762 0 C-N-CA 120.034 -0.666 . . . . 0.0 111.545 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.482 ' O ' HG22 ' A' ' 76' ' ' VAL . 79.3 mt-10 -64.62 -42.49 95.46 Favored 'General case' 0 C--O 1.243 0.734 0 CA-C-O 122.105 0.955 . . . . 0.0 109.887 179.744 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -63.42 -41.23 98.69 Favored 'General case' 0 C--O 1.245 0.862 0 CA-C-O 122.413 1.101 . . . . 0.0 110.448 177.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.623 HG13 ' HB1' ' B' ' 79' ' ' ALA . 0.5 OUTLIER -59.51 -47.91 89.17 Favored 'Isoleucine or valine' 0 C--O 1.251 1.162 0 CA-C-N 113.802 -1.545 . . . . 0.0 109.77 -179.11 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.482 HG22 ' O ' ' A' ' 73' ' ' GLU . 15.3 m -67.48 -34.46 68.63 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.604 0 C-N-CA 117.856 -1.538 . . . . 0.0 109.245 178.513 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.537 ' O ' HD13 ' A' ' 81' ' ' LEU . 35.3 tp -55.36 -51.94 65.13 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 118.593 -1.243 . . . . 0.0 111.605 178.06 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 34.9 m -68.55 -36.12 73.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 C-N-CA 118.151 -1.419 . . . . 0.0 111.692 -178.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.734 ' HB2' ' HB2' ' B' ' 79' ' ' ALA . . . -67.78 -48.57 65.96 Favored 'General case' 0 C--O 1.251 1.171 0 C-N-CA 118.816 -1.154 . . . . 0.0 112.043 -179.283 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.14 -39.9 96.03 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.153 179.667 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.537 HD13 ' O ' ' A' ' 77' ' ' LEU . 9.4 mp -64.66 -34.85 79.25 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 119.139 -1.024 . . . . 0.0 109.832 176.642 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.469 HG21 ' HB2' ' B' ' 11' ' ' LEU . 52.3 m -63.0 -50.06 72.2 Favored 'General case' 0 C--O 1.246 0.891 0 C-N-CA 119.752 -0.779 . . . . 0.0 111.633 179.463 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 14.5 p -63.21 -38.73 82.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 118.894 -1.122 . . . . 0.0 110.321 178.564 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.87 -30.97 71.99 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 121.188 0.518 . . . . 0.0 109.859 178.604 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 36.0 t -67.8 -54.81 16.2 Favored 'General case' 0 CA--C 1.509 -0.601 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.734 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -56.75 -42.83 79.99 Favored 'General case' 0 C--O 1.24 0.575 0 C-N-CA 118.669 -1.212 . . . . 0.0 109.508 179.631 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -59.93 -38.18 81.63 Favored 'General case' 0 C--O 1.22 -0.465 0 C-N-CA 119.955 -0.698 . . . . 0.0 109.338 178.669 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.523 ' O ' ' O ' ' A' ' 91' ' ' GLU . 67.1 t80 -62.29 -45.61 92.5 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.184 -179.64 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -66.41 -54.88 19.23 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.389 -0.525 . . . . 0.0 112.149 -179.048 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.615 ' CE3' ' OH ' ' B' ' 26' ' ' TYR . 25.2 t-105 -64.87 -40.46 95.16 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.191 0.52 . . . . 0.0 112.355 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.585 ' OE1' ' N ' ' A' ' 92' ' ' ASN . 1.5 tm-20 -97.05 143.38 27.94 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.567 -178.098 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.585 ' N ' ' OE1' ' A' ' 91' ' ' GLU . 49.6 t-20 -55.15 -36.96 66.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.246 -179.259 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 17.5 t . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 117.946 -1.026 . . . . 0.0 110.477 -179.892 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.666 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 87.5 p -124.13 155.07 39.08 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -61.99 -38.41 88.5 Favored 'General case' 0 C--O 1.24 0.59 0 N-CA-C 112.862 0.69 . . . . 0.0 112.862 -178.684 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.625 ' O ' HD23 ' B' ' 4' ' ' LEU . 1.7 tt -61.79 -41.53 97.85 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 118.96 -1.096 . . . . 0.0 108.461 -178.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -65.17 -37.74 88.34 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.555 178.015 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 46.1 m -59.63 -42.1 91.93 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 119.84 -0.744 . . . . 0.0 109.289 179.522 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.0 -44.98 90.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.116 179.195 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' MET . . . . . 0.414 ' SD ' HD22 ' B' ' 4' ' ' LEU . 99.3 mtp -60.22 -40.7 91.07 Favored 'General case' 0 C--O 1.246 0.895 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.446 179.564 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.6 -37.3 87.1 Favored 'General case' 0 CA--C 1.51 -0.581 0 C-N-CA 120.026 -0.67 . . . . 0.0 109.417 177.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 56.8 m -62.98 -42.3 99.8 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 119.634 -0.826 . . . . 0.0 110.224 178.495 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.469 ' HB2' HG21 ' A' ' 82' ' ' THR . 42.4 mt -59.22 -43.03 92.32 Favored 'General case' 0 C--O 1.241 0.643 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 179.79 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 98.3 mt -62.14 -45.06 99.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 114.758 -1.11 . . . . 0.0 111.892 178.659 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -61.27 -41.19 96.52 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -178.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 17.3 m -72.92 -37.79 54.94 Favored 'Isoleucine or valine' 0 C--O 1.254 1.331 0 C-N-CA 118.928 -1.109 . . . . 0.0 110.136 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.581 ' O ' ' HD2' ' B' ' 18' ' ' HIS . 86.5 t80 -59.78 -42.54 93.55 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-O 122.235 1.017 . . . . 0.0 109.906 177.368 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -67.91 -35.18 78.01 Favored 'General case' 0 N--CA 1.437 -1.113 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.806 177.764 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.582 ' O ' ' HB2' ' B' ' 21' ' ' LYS . . . -59.38 -50.62 73.24 Favored 'General case' 0 N--CA 1.438 -1.07 0 C-N-CA 118.987 -1.085 . . . . 0.0 111.204 -178.342 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.694 ' CG ' HD12 ' B' ' 36' ' ' LEU . 0.5 OUTLIER -81.28 -49.01 11.26 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 117.245 -1.782 . . . . 0.0 113.718 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.611 ' H ' ' CD2' ' B' ' 18' ' ' HIS . 23.3 t -60.95 -40.29 92.74 Favored 'General case' 0 C--N 1.352 0.701 0 C-N-CA 118.439 -1.305 . . . . 0.0 109.805 -179.438 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -73.44 -44.81 32.2 Favored Glycine 0 C--N 1.343 0.942 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.516 179.039 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.582 ' HB2' ' O ' ' B' ' 17' ' ' ALA . 5.8 ttpm? -58.86 -43.36 90.81 Favored 'General case' 0 N--CA 1.463 0.184 0 C-N-CA 120.032 -0.667 . . . . 0.0 111.255 -179.613 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.512 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 97.0 mt-10 -132.72 145.48 51.07 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 120.538 -0.465 . . . . 0.0 111.256 178.406 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.7 -163.01 54.39 Favored Glycine 0 CA--C 1.521 0.468 0 N-CA-C 111.405 -0.678 . . . . 0.0 111.405 177.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -68.88 143.48 54.5 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 178.124 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.439 ' O ' ' OG ' ' B' ' 19' ' ' SER . 25.6 mtmm -60.0 -32.17 70.61 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -177.559 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.615 ' OH ' ' CE3' ' A' ' 90' ' ' TRP . 98.4 m-85 -107.21 19.66 20.05 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 -178.089 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.424 ' HZ3' ' HG2' ' B' ' 68' ' ' GLU . 16.3 tptm -139.65 140.48 36.94 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 119.034 -1.066 . . . . 0.0 109.254 179.444 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.466 ' C ' ' OE2' ' B' ' 68' ' ' GLU . 17.8 tp -117.69 130.74 56.53 Favored 'General case' 0 C--N 1.333 -0.123 0 C-N-CA 120.544 -0.463 . . . . 0.0 112.009 -177.126 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.471 ' CA ' ' OE2' ' B' ' 68' ' ' GLU . 82.3 p -105.0 166.02 10.67 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 179.289 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 6.4 ttpm? -52.87 -47.08 68.07 Favored 'General case' 0 C--O 1.24 0.566 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -177.182 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.594 ' HG3' ' N ' ' B' ' 32' ' ' GLU . 51.2 pttt -59.61 -46.51 88.76 Favored 'General case' 0 N--CA 1.44 -0.971 0 C-N-CA 119.651 -0.82 . . . . 0.0 109.767 -178.438 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.594 ' N ' ' HG3' ' B' ' 31' ' ' LYS . 93.0 mt-10 -61.22 -51.32 69.47 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 119.82 -0.752 . . . . 0.0 111.81 -177.864 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.07 -37.31 76.78 Favored 'General case' 0 CA--C 1.508 -0.637 0 C-N-CA 117.079 -1.848 . . . . 0.0 109.316 179.022 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 12.0 tptm -54.11 -36.33 63.12 Favored 'General case' 0 N--CA 1.439 -1.023 0 C-N-CA 118.164 -1.415 . . . . 0.0 108.219 -179.465 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.893 ' O ' HG23 ' B' ' 39' ' ' THR . 76.8 mm-40 -73.86 -43.48 58.47 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 120.087 -0.645 . . . . 0.0 112.437 178.848 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.83 ' O ' HD23 ' B' ' 36' ' ' LEU . 5.8 tt -66.83 -46.74 74.2 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 118.548 -1.261 . . . . 0.0 112.03 -177.392 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.557 ' O ' ' O ' ' B' ' 41' ' ' LEU . 2.9 mm? -59.38 -43.32 92.92 Favored 'General case' 0 CA--C 1.516 -0.357 0 C-N-CA 118.49 -1.284 . . . . 0.0 110.366 -178.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -64.21 -38.97 92.97 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.262 -0.575 . . . . 0.0 111.575 178.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.893 HG23 ' O ' ' B' ' 35' ' ' GLU . 61.9 p -71.57 -34.35 69.86 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 -179.098 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -101.01 -57.81 2.02 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 -179.11 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.557 ' O ' ' O ' ' B' ' 37' ' ' LEU . 30.4 mt -96.66 143.33 27.72 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.24 0.543 . . . . 0.0 111.126 -178.305 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.524 ' OG ' ' N ' ' B' ' 43' ' ' GLY . 91.6 p -111.55 -76.77 0.59 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.757 179.43 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 43' ' ' GLY . . . . . 0.524 ' N ' ' OG ' ' B' ' 42' ' ' SER . . . -57.1 -36.06 72.67 Favored Glycine 0 CA--C 1.532 1.143 0 CA-C-N 115.588 -0.733 . . . . 0.0 113.96 -178.593 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -60.47 -57.72 11.52 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 118.209 1.004 . . . . 0.0 112.592 -177.598 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.456 HD13 ' O ' ' B' ' 45' ' ' LEU . 0.2 OUTLIER -72.95 -40.58 65.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.732 0.777 . . . . 0.0 109.978 -179.796 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.444 ' CB ' ' O ' ' B' ' 42' ' ' SER . 59.6 t0 -62.59 -29.95 70.97 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 114.575 -1.193 . . . . 0.0 113.058 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 47' ' ' ALA . . . . . 0.495 ' HB2' ' O ' ' B' ' 43' ' ' GLY . . . -54.6 -34.18 61.59 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -176.215 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 91.6 mm-40 -62.26 -36.37 81.86 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 119.528 -0.869 . . . . 0.0 109.233 179.647 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.557 ' O ' ' OD1' ' B' ' 50' ' ' ASP . 98.2 mttt 61.46 36.3 17.24 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.127 -0.942 . . . . 0.0 112.862 178.74 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 50' ' ' ASP . . . . . 0.557 ' OD1' ' O ' ' B' ' 49' ' ' LYS . 92.2 m-20 -144.67 148.99 34.9 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 120.931 -0.307 . . . . 0.0 110.605 178.179 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 51' ' ' VAL . . . . . 0.563 ' O ' HG12 ' B' ' 54' ' ' VAL . 7.1 m -72.82 -32.72 41.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 178.221 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -62.04 -29.96 70.64 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 114.921 -1.036 . . . . 0.0 110.491 178.51 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.537 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -53.42 -37.27 62.37 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.19 -0.914 . . . . 0.0 112.302 -176.82 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.563 HG12 ' O ' ' B' ' 51' ' ' VAL . 9.2 p -61.24 -43.64 96.86 Favored 'Isoleucine or valine' 0 C--O 1.241 0.65 0 C-N-CA 118.755 -1.178 . . . . 0.0 109.881 179.254 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.546 ' N ' HG13 ' B' ' 54' ' ' VAL . 92.2 m-20 -61.87 -43.61 98.5 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.06 179.049 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 55.8 mttm -62.04 -39.31 91.9 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.444 179.15 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.537 HG23 ' O ' ' B' ' 53' ' ' ALA . 62.1 t -65.3 -44.31 94.9 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.427 0 CA-C-N 115.435 -0.802 . . . . 0.0 112.589 -178.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.427 ' CE ' ' O ' ' B' ' 67' ' ' GLY . 0.0 OUTLIER -66.14 -32.76 74.39 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 119.291 -0.964 . . . . 0.0 113.546 -179.001 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 36.1 mmtt -60.13 -41.34 92.46 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 113.129 0.789 . . . . 0.0 113.129 -178.35 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -72.33 -35.42 68.57 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 119.435 -0.906 . . . . 0.0 110.556 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 79.3 mt -67.38 -34.74 77.9 Favored 'General case' 0 CA--C 1.509 -0.612 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.504 179.654 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.541 ' OD2' ' N ' ' B' ' 66' ' ' ASP . 41.2 t0 -71.73 78.22 0.85 Allowed 'General case' 0 N--CA 1.442 -0.85 0 C-N-CA 118.91 -1.116 . . . . 0.0 110.787 -178.187 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -64.06 -38.19 90.17 Favored 'General case' 0 CA--C 1.5 -0.946 0 CA-C-O 123.13 1.443 . . . . 0.0 107.386 176.202 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.476 ' OD1' ' OD2' ' B' ' 66' ' ' ASP . 17.3 t-20 -58.51 -39.37 79.91 Favored 'General case' 0 C--N 1.305 -1.347 0 CA-C-N 111.575 -2.557 . . . . 0.0 112.141 179.057 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.514 ' H ' ' CG ' ' B' ' 62' ' ' ASP . . . 87.42 12.95 66.4 Favored Glycine 0 CA--C 1.533 1.186 0 C-N-CA 121.176 -0.535 . . . . 0.0 112.711 178.726 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.541 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 54.8 p30 -91.09 5.41 49.06 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -179.614 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.427 ' O ' ' CE ' ' B' ' 58' ' ' MET . . . 71.13 1.97 44.72 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.138 -1.185 . . . . 0.0 110.138 179.735 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.471 ' OE2' ' CA ' ' B' ' 29' ' ' SER . 43.8 tp10 -117.39 144.33 45.07 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 -179.647 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.423 ' HA ' ' OE1' ' B' ' 73' ' ' GLU . 59.9 t -99.77 132.63 44.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 C-N-CA 120.645 -0.422 . . . . 0.0 109.983 -178.732 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.511 ' OD1' ' C ' ' B' ' 70' ' ' ASP . 17.4 p30 -104.71 171.56 7.26 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 120.026 -0.67 . . . . 0.0 110.094 -179.33 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -53.87 -45.0 70.89 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.318 -178.666 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -61.35 -40.21 93.46 Favored 'General case' 0 C--O 1.244 0.783 0 C-N-CA 120.009 -0.677 . . . . 0.0 111.637 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.476 ' O ' HG22 ' B' ' 76' ' ' VAL . 79.3 mt-10 -64.59 -42.48 95.57 Favored 'General case' 0 C--O 1.242 0.661 0 CA-C-O 122.11 0.957 . . . . 0.0 109.908 179.665 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -63.42 -41.31 98.69 Favored 'General case' 0 C--O 1.244 0.785 0 CA-C-O 122.462 1.125 . . . . 0.0 110.446 177.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.621 HG13 ' HB1' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -59.53 -47.81 89.56 Favored 'Isoleucine or valine' 0 C--O 1.252 1.189 0 CA-C-N 113.725 -1.58 . . . . 0.0 109.74 -179.042 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.476 HG22 ' O ' ' B' ' 73' ' ' GLU . 15.3 m -67.6 -34.35 67.63 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.588 0 C-N-CA 117.792 -1.563 . . . . 0.0 109.277 178.534 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.536 ' O ' HD13 ' B' ' 81' ' ' LEU . 34.9 tp -55.38 -51.93 65.22 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 118.576 -1.25 . . . . 0.0 111.619 178.046 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 34.8 m -68.5 -36.15 73.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 C-N-CA 118.168 -1.413 . . . . 0.0 111.733 -178.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.734 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . . . -67.79 -48.52 66.06 Favored 'General case' 0 C--O 1.252 1.207 0 C-N-CA 118.883 -1.127 . . . . 0.0 112.052 -179.313 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.21 -39.89 95.93 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.536 HD13 ' O ' ' B' ' 77' ' ' LEU . 9.3 mp -64.58 -34.95 79.44 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 119.091 -1.044 . . . . 0.0 109.796 176.636 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.471 HG21 ' HB2' ' A' ' 11' ' ' LEU . 52.9 m -62.95 -50.02 72.44 Favored 'General case' 0 C--O 1.246 0.889 0 C-N-CA 119.776 -0.77 . . . . 0.0 111.592 179.65 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 14.5 p -63.21 -38.74 82.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 118.927 -1.109 . . . . 0.0 110.296 178.561 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.99 -30.84 71.86 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-O 121.198 0.523 . . . . 0.0 109.865 178.645 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 36.1 t -67.85 -54.8 16.16 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.707 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -56.65 -42.93 79.77 Favored 'General case' 0 C--O 1.238 0.494 0 C-N-CA 118.669 -1.212 . . . . 0.0 109.611 179.532 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -59.92 -38.22 81.73 Favored 'General case' 0 C--O 1.22 -0.451 0 C-N-CA 119.929 -0.708 . . . . 0.0 109.302 178.658 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.524 ' O ' ' O ' ' B' ' 91' ' ' GLU . 67.3 t80 -62.26 -45.65 92.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.101 -179.613 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -66.41 -54.89 19.15 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 120.39 -0.524 . . . . 0.0 112.125 -178.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.601 ' CE3' ' OH ' ' A' ' 26' ' ' TYR . 25.2 t-105 -64.8 -40.54 95.4 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.159 0.504 . . . . 0.0 112.308 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.582 ' OE1' ' N ' ' B' ' 92' ' ' ASN . 1.5 tm-20 -96.99 143.3 27.98 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.674 -178.065 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 92' ' ' ASN . . . . . 0.582 ' N ' ' OE1' ' B' ' 91' ' ' GLU . 49.6 t-20 -55.1 -36.9 66.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.293 -179.226 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 17.7 t . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 118.051 -0.976 . . . . 0.0 110.523 -179.858 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 201' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 201' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 . . . . . 0 C--O 1.238 0.45 0 N-CA-C 111.729 0.27 . . . . 0.0 111.729 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.478 HD23 ' O ' ' A' ' 4' ' ' LEU . 5.7 tt -61.05 -41.26 96.27 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 -179.118 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -65.06 -37.59 88.05 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.144 178.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 43.9 m -59.31 -40.96 87.89 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 179.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.3 -45.94 85.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.357 179.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 99.1 mtp -59.85 -41.11 90.72 Favored 'General case' 0 C--O 1.247 0.944 0 CA-C-O 121.581 0.705 . . . . 0.0 109.839 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.17 -35.68 81.83 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.542 -0.753 . . . . 0.0 109.926 177.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 49.4 m -64.03 -42.91 96.92 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 119.73 -0.788 . . . . 0.0 109.913 179.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 36.9 mt -61.7 -42.67 99.24 Favored 'General case' 0 C--O 1.241 0.642 0 C-N-CA 119.286 -0.966 . . . . 0.0 108.846 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.9 mt -61.86 -45.18 99.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.994 178.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -61.97 -40.61 96.2 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.948 0.721 . . . . 0.0 112.948 -179.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.3 m -74.58 -41.55 48.64 Favored 'Isoleucine or valine' 0 C--O 1.255 1.382 0 C-N-CA 119.185 -1.006 . . . . 0.0 111.24 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -60.44 -48.09 83.28 Favored 'General case' 0 CA--C 1.513 -0.465 0 C-N-CA 119.111 -1.035 . . . . 0.0 109.826 177.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -63.76 -34.95 79.05 Favored 'General case' 0 CA--C 1.501 -0.926 0 CA-C-N 115.25 -0.887 . . . . 0.0 110.006 178.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.541 ' O ' ' HB2' ' A' ' 21' ' ' LYS . . . -57.85 -51.63 68.81 Favored 'General case' 0 N--CA 1.434 -1.231 0 C-N-CA 118.69 -1.204 . . . . 0.0 109.431 -178.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.466 ' HB2' HD12 ' A' ' 36' ' ' LEU . 23.2 m-70 -79.2 -52.18 8.5 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 114.589 1.329 . . . . 0.0 114.589 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.46 ' OG ' ' O ' ' A' ' 25' ' ' LYS . 22.7 t -57.98 -40.9 81.79 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 118.786 -1.166 . . . . 0.0 108.99 -179.23 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.14 -44.16 68.01 Favored Glycine 0 C--N 1.343 0.918 0 CA-C-N 115.223 -0.899 . . . . 0.0 112.097 178.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.541 ' HB2' ' O ' ' A' ' 17' ' ' ALA . 6.0 ttpm? -59.41 -42.21 91.25 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 120.133 -0.627 . . . . 0.0 112.012 -179.22 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.578 ' OE1' ' NZ ' ' A' ' 31' ' ' LYS . 97.2 mt-10 -129.32 151.87 49.49 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.27 -148.22 29.73 Favored Glycine 0 N--CA 1.464 0.552 0 CA-C-N 115.778 -0.646 . . . . 0.0 112.341 177.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -71.14 139.54 50.28 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 179.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.46 ' O ' ' OG ' ' A' ' 19' ' ' SER . 33.9 mtmt -61.62 -32.45 72.59 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.814 -178.141 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.591 ' OH ' ' CD2' ' B' ' 90' ' ' TRP . 96.2 m-85 -106.7 20.12 19.48 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -177.445 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.55 ' NZ ' ' OD2' ' A' ' 66' ' ' ASP . 3.9 tptt -137.97 137.83 38.32 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 119.437 -0.905 . . . . 0.0 109.017 178.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.5 tp -112.12 128.55 56.25 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 -178.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 92.6 p -101.31 166.8 10.57 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 116.69 -0.232 . . . . 0.0 110.882 -179.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.6 ttpt -53.42 -48.35 68.81 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-O 121.057 0.456 . . . . 0.0 112.077 -177.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.58 ' HG3' ' N ' ' A' ' 32' ' ' GLU . 17.5 pttp -61.05 -48.49 81.5 Favored 'General case' 0 N--CA 1.441 -0.899 0 C-N-CA 119.887 -0.725 . . . . 0.0 110.111 -178.606 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.58 ' N ' ' HG3' ' A' ' 31' ' ' LYS . 95.1 mt-10 -63.06 -49.91 72.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.244 -178.407 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.49 HD22 HG21 ' A' ' 69' ' ' VAL . 1.2 pp -60.97 -35.69 77.45 Favored 'General case' 0 CA--C 1.498 -1.033 0 C-N-CA 118.7 -1.2 . . . . 0.0 109.921 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.493 ' HG3' HE21 ' A' ' 38' ' ' GLN . 20.6 tptm -55.49 -37.04 67.3 Favored 'General case' 0 N--CA 1.433 -1.302 0 C-N-CA 118.11 -1.436 . . . . 0.0 108.37 178.452 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.776 ' O ' HG23 ' A' ' 39' ' ' THR . 96.6 mt-10 -75.9 -41.29 52.44 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 112.984 0.735 . . . . 0.0 112.984 179.574 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.756 HD23 ' O ' ' A' ' 36' ' ' LEU . 2.7 tt -65.14 -45.45 84.97 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 120.416 -0.514 . . . . 0.0 111.563 -177.118 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.565 ' CD2' ' N ' ' A' ' 37' ' ' LEU . 1.2 mm? -64.54 -42.78 95.51 Favored 'General case' 0 CA--C 1.521 -0.164 0 C-N-CA 118.536 -1.266 . . . . 0.0 111.243 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.493 HE21 ' HG3' ' A' ' 34' ' ' LYS . 49.0 mt-30 -64.5 -39.54 93.98 Favored 'General case' 0 C--O 1.232 0.142 0 C-N-CA 119.942 -0.703 . . . . 0.0 111.861 179.499 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.776 HG23 ' O ' ' A' ' 35' ' ' GLU . 66.2 p -70.4 -38.21 74.6 Favored 'General case' 0 C--O 1.232 0.134 0 C-N-CA 120.046 -0.661 . . . . 0.0 111.577 -179.46 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -92.25 -52.97 4.43 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.539 ' O ' ' O ' ' A' ' 37' ' ' LEU . 30.9 mt -104.17 141.59 35.98 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 121.138 0.494 . . . . 0.0 111.136 -179.336 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 m -113.38 -68.26 0.94 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.511 179.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.42 -37.66 88.58 Favored Glycine 0 CA--C 1.53 0.993 0 CA-C-N 115.521 -0.763 . . . . 0.0 113.853 -178.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -60.26 -53.02 62.62 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 118.086 0.943 . . . . 0.0 112.085 -178.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -75.76 -40.1 55.93 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 120.359 -0.536 . . . . 0.0 111.324 178.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -60.45 -33.34 72.41 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.417 -179.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.12 -34.77 70.58 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 -177.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.471 ' C ' ' H ' ' A' ' 50' ' ' ASP . 93.6 mm-40 -61.73 -34.41 75.75 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.123 -0.631 . . . . 0.0 109.637 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 79.5 tttt 67.59 -32.48 0.2 Allowed 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.299 -0.864 . . . . 0.0 112.095 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.471 ' H ' ' C ' ' A' ' 48' ' ' GLN . 88.1 m-20 -70.54 142.67 51.78 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.452 -0.499 . . . . 0.0 111.311 -179.664 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.7 m -72.72 -29.61 30.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.619 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -83.73 1.87 40.6 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.23 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.498 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -58.18 -38.21 76.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.79 -178.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.606 HG13 ' N ' ' A' ' 55' ' ' ASP . 7.3 p -59.76 -43.99 92.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 C-N-CA 119.785 -0.766 . . . . 0.0 110.097 179.222 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.606 ' N ' HG13 ' A' ' 54' ' ' VAL . 89.3 m-20 -62.86 -43.59 98.39 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.451 179.583 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 51.5 mttp -61.96 -40.32 95.15 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.951 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 53' ' ' ALA . 69.9 t -66.76 -46.39 85.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.352 -179.143 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -65.05 -34.33 78.16 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 -178.253 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.3 mtmt -58.93 -41.14 86.63 Favored 'General case' 0 CA--C 1.52 -0.175 0 C-N-CA 119.192 -1.003 . . . . 0.0 110.923 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -65.52 -39.58 91.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.221 0.534 . . . . 0.0 110.961 178.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 71.7 mt -67.71 -35.43 78.78 Favored 'General case' 0 CA--C 1.51 -0.565 0 CA-C-N 115.485 -0.78 . . . . 0.0 112.651 -178.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.487 ' CG ' ' H ' ' A' ' 65' ' ' GLY . 44.9 t0 -72.2 72.56 0.91 Allowed 'General case' 0 N--CA 1.445 -0.691 0 C-N-CA 118.347 -1.341 . . . . 0.0 110.686 -178.233 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -62.86 -37.56 87.34 Favored 'General case' 0 CA--C 1.497 -1.065 0 N-CA-C 106.92 -1.511 . . . . 0.0 106.92 175.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.482 ' OD1' ' OD2' ' A' ' 66' ' ' ASP . 18.5 t-20 -57.9 -39.74 78.64 Favored 'General case' 0 N--CA 1.429 -1.487 0 CA-C-N 111.567 -2.56 . . . . 0.0 111.28 178.552 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.487 ' H ' ' CG ' ' A' ' 62' ' ' ASP . . . 79.87 18.72 71.98 Favored Glycine 0 CA--C 1.529 0.959 0 C-N-CA 121.396 -0.43 . . . . 0.0 112.94 177.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.55 ' OD2' ' NZ ' ' A' ' 27' ' ' LYS . 54.9 p30 -89.47 2.3 54.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 117.536 0.668 . . . . 0.0 112.508 -179.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 87.14 -2.61 86.92 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.655 -0.978 . . . . 0.0 110.655 178.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.505 ' OE1' ' O ' ' A' ' 66' ' ' ASP . 58.6 mp0 -121.2 160.32 24.07 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 115.419 -0.39 . . . . 0.0 110.517 179.532 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.49 HG21 HD22 ' A' ' 33' ' ' LEU . 48.3 t -102.87 130.23 53.28 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.584 0 N-CA-C 106.832 -1.544 . . . . 0.0 106.832 176.273 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 49.0 t0 -100.6 160.94 13.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.127 0.489 . . . . 0.0 111.601 -177.604 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.511 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 1.0 OUTLIER -50.58 -44.11 56.7 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.264 -178.792 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.409 ' HG2' HG21 ' B' ' 83' ' ' VAL . 94.1 mt-30 -61.83 -40.47 95.41 Favored 'General case' 0 C--O 1.245 0.847 0 C-N-CA 119.733 -0.787 . . . . 0.0 110.834 178.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.482 ' O ' HG22 ' A' ' 76' ' ' VAL . 79.5 mt-10 -64.33 -42.69 96.16 Favored 'General case' 0 C--O 1.243 0.714 0 CA-C-O 122.374 1.083 . . . . 0.0 109.698 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -63.31 -40.82 98.4 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 114.299 -1.318 . . . . 0.0 110.106 178.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.619 HG13 ' HB1' ' B' ' 79' ' ' ALA . 0.5 OUTLIER -60.37 -47.83 90.81 Favored 'Isoleucine or valine' 0 C--O 1.248 1.012 0 CA-C-N 113.779 -1.555 . . . . 0.0 109.825 -178.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.482 HG22 ' O ' ' A' ' 73' ' ' GLU . 16.8 m -67.29 -34.97 72.43 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.572 0 C-N-CA 117.82 -1.552 . . . . 0.0 109.374 178.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.59 ' O ' HD13 ' A' ' 81' ' ' LEU . 32.5 tp -56.83 -51.35 69.32 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 118.832 -1.147 . . . . 0.0 111.913 178.251 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 34.3 m -68.4 -36.22 73.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 C-N-CA 118.659 -1.216 . . . . 0.0 111.662 -178.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.74 ' HB2' ' HB2' ' B' ' 79' ' ' ALA . . . -68.86 -49.03 61.8 Favored 'General case' 0 C--O 1.25 1.081 0 C-N-CA 119.002 -1.079 . . . . 0.0 112.064 -179.288 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.88 -39.47 94.54 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.59 HD13 ' O ' ' A' ' 77' ' ' LEU . 9.7 mp -65.16 -34.3 78.07 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 119.346 -0.941 . . . . 0.0 109.819 176.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 37.4 m -63.06 -49.94 72.56 Favored 'General case' 0 C--O 1.245 0.831 0 C-N-CA 119.765 -0.774 . . . . 0.0 111.194 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.418 HG21 ' HG2' ' B' ' 72' ' ' GLN . 13.2 p -63.99 -39.18 84.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 118.95 -1.1 . . . . 0.0 110.73 178.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.49 -30.45 71.22 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-O 121.18 0.514 . . . . 0.0 109.933 178.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 42.4 t -67.81 -54.37 19.66 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.384 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -55.89 -41.34 74.32 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 118.69 -1.204 . . . . 0.0 108.579 178.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.686 ' O ' ' HB2' ' A' ' 91' ' ' GLU . 87.3 m-20 -59.33 -40.65 87.01 Favored 'General case' 0 C--O 1.2 -1.534 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.547 178.027 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.557 ' O ' ' O ' ' A' ' 91' ' ' GLU . 68.3 t80 -63.58 -40.66 97.53 Favored 'General case' 0 C--N 1.302 -1.482 0 C-N-CA 118.172 -1.411 . . . . 0.0 110.71 179.005 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -64.8 -60.29 3.25 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 120.046 -0.662 . . . . 0.0 112.233 -178.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.594 ' CD2' ' OH ' ' B' ' 26' ' ' TYR . 19.8 t-105 -68.73 -44.27 74.19 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 121.734 0.778 . . . . 0.0 111.55 179.186 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.686 ' HB2' ' O ' ' A' ' 87' ' ' ASN . 60.6 mm-40 . . . . . 0 C--N 1.32 -0.675 0 CA-C-N 114.361 -1.291 . . . . 0.0 111.541 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 . . . . . 0 C--O 1.237 0.441 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.481 HD23 ' O ' ' B' ' 4' ' ' LEU . 5.7 tt -60.97 -41.29 96.11 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 -179.211 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.08 -37.54 87.85 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.213 178.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 43.6 m -59.26 -40.89 87.46 Favored 'General case' 0 CA--C 1.515 -0.383 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 178.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.55 -45.84 85.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.346 179.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 99.1 mtp -59.88 -41.12 90.87 Favored 'General case' 0 C--O 1.246 0.878 0 CA-C-O 121.579 0.704 . . . . 0.0 109.887 179.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.08 -36.43 84.29 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.834 177.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 47.5 m -63.17 -43.05 99.36 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 119.759 -0.776 . . . . 0.0 110.177 178.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 43.1 mt -61.86 -42.49 99.12 Favored 'General case' 0 C--O 1.241 0.62 0 C-N-CA 119.23 -0.988 . . . . 0.0 108.868 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.9 mt -61.83 -45.17 99.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.029 178.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -61.97 -40.64 96.31 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.964 0.727 . . . . 0.0 112.964 -179.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 17.2 m -74.56 -41.46 48.79 Favored 'Isoleucine or valine' 0 C--O 1.255 1.347 0 C-N-CA 119.147 -1.021 . . . . 0.0 111.278 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -60.57 -47.95 83.94 Favored 'General case' 0 CA--C 1.513 -0.468 0 C-N-CA 119.052 -1.059 . . . . 0.0 109.864 177.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -63.81 -34.91 78.96 Favored 'General case' 0 CA--C 1.501 -0.926 0 CA-C-N 115.254 -0.884 . . . . 0.0 109.987 178.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.536 ' O ' ' HB2' ' B' ' 21' ' ' LYS . . . -57.96 -51.57 69.1 Favored 'General case' 0 N--CA 1.435 -1.21 0 C-N-CA 118.643 -1.223 . . . . 0.0 109.404 -178.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.491 ' HB2' HD12 ' B' ' 36' ' ' LEU . 23.0 m-70 -79.18 -52.23 8.44 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 114.545 1.313 . . . . 0.0 114.545 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.452 ' OG ' ' O ' ' B' ' 25' ' ' LYS . 22.8 t -57.97 -40.96 81.92 Favored 'General case' 0 C--N 1.341 0.218 0 C-N-CA 118.852 -1.139 . . . . 0.0 108.939 -179.249 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.09 -44.11 68.64 Favored Glycine 0 C--N 1.343 0.931 0 CA-C-N 115.265 -0.879 . . . . 0.0 112.175 178.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . 0.536 ' HB2' ' O ' ' B' ' 17' ' ' ALA . 6.0 ttpm? -59.43 -42.21 91.35 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 120.144 -0.622 . . . . 0.0 112.023 -179.256 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.586 ' OE1' ' NZ ' ' B' ' 31' ' ' LYS . 97.2 mt-10 -129.33 151.9 49.47 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 112.813 0.672 . . . . 0.0 112.813 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.23 -148.28 29.45 Favored Glycine 0 N--CA 1.465 0.568 0 CA-C-N 115.802 -0.636 . . . . 0.0 112.361 177.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -71.02 139.42 50.48 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 179.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.452 ' O ' ' OG ' ' B' ' 19' ' ' SER . 33.9 mtmt -61.52 -32.53 72.58 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 -178.161 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.594 ' OH ' ' CD2' ' A' ' 90' ' ' TRP . 96.3 m-85 -106.53 20.02 19.62 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 -177.534 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.45 ' NZ ' ' OD2' ' B' ' 66' ' ' ASP . 4.0 tptt -137.93 137.93 38.48 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 119.438 -0.905 . . . . 0.0 109.119 178.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 14.5 tp -112.18 128.48 56.24 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.161 -0.615 . . . . 0.0 109.368 -178.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 94.1 p -101.29 166.74 10.6 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.673 -0.239 . . . . 0.0 110.915 -179.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 24.6 ttpt -53.41 -48.44 68.71 Favored 'General case' 0 C--O 1.24 0.592 0 CA-C-O 121.096 0.474 . . . . 0.0 112.089 -177.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.601 ' HG3' ' N ' ' B' ' 32' ' ' GLU . 17.5 pttp -60.99 -48.52 81.45 Favored 'General case' 0 N--CA 1.441 -0.904 0 C-N-CA 119.943 -0.703 . . . . 0.0 110.063 -178.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.601 ' N ' ' HG3' ' B' ' 31' ' ' LYS . 95.0 mt-10 -63.03 -49.92 72.71 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.095 -0.642 . . . . 0.0 112.25 -178.39 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.472 HD22 HG21 ' B' ' 69' ' ' VAL . 1.2 pp -60.97 -35.71 77.5 Favored 'General case' 0 CA--C 1.499 -1.015 0 C-N-CA 118.71 -1.196 . . . . 0.0 109.908 -179.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.498 ' HG3' HE21 ' B' ' 38' ' ' GLN . 20.7 tptm -55.41 -37.06 67.13 Favored 'General case' 0 N--CA 1.432 -1.354 0 C-N-CA 118.189 -1.404 . . . . 0.0 108.364 178.425 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.784 ' O ' HG23 ' B' ' 39' ' ' THR . 96.5 mt-10 -75.96 -41.14 52.35 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 179.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.755 HD23 ' O ' ' B' ' 36' ' ' LEU . 2.7 tt -65.23 -45.49 84.45 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 120.466 -0.494 . . . . 0.0 111.599 -177.17 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.571 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 1.1 mm? -64.57 -42.65 95.52 Favored 'General case' 0 CA--C 1.521 -0.153 0 C-N-CA 118.504 -1.278 . . . . 0.0 111.304 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.498 HE21 ' HG3' ' B' ' 34' ' ' LYS . 49.0 mt-30 -64.66 -39.47 93.74 Favored 'General case' 0 C--O 1.231 0.108 0 C-N-CA 119.925 -0.71 . . . . 0.0 111.75 179.55 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.784 HG23 ' O ' ' B' ' 35' ' ' GLU . 67.2 p -70.33 -38.33 74.87 Favored 'General case' 0 C--N 1.333 -0.119 0 C-N-CA 120.102 -0.639 . . . . 0.0 111.57 -179.477 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -92.17 -53.1 4.38 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.538 ' O ' ' O ' ' B' ' 37' ' ' LEU . 30.5 mt -104.06 141.54 36.04 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 121.248 0.546 . . . . 0.0 111.116 -179.27 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.4 m -113.41 -68.06 0.95 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.598 179.094 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.44 -37.72 88.87 Favored Glycine 0 CA--C 1.531 1.05 0 CA-C-N 115.621 -0.718 . . . . 0.0 113.855 -178.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -60.19 -53.11 61.66 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 117.965 0.883 . . . . 0.0 112.14 -178.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -75.69 -40.18 56.28 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 120.381 -0.528 . . . . 0.0 111.331 178.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -60.43 -33.22 72.22 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.513 -179.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.24 -34.63 70.66 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -177.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.479 ' C ' ' H ' ' B' ' 50' ' ' ASP . 93.6 mm-40 -61.85 -34.31 75.75 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.105 -0.638 . . . . 0.0 109.7 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 79.5 tttt 67.59 -32.51 0.2 Allowed 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.28 -0.873 . . . . 0.0 112.091 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . 0.479 ' H ' ' C ' ' B' ' 48' ' ' GLN . 88.1 m-20 -70.55 142.78 51.76 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.417 -0.513 . . . . 0.0 111.32 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 4.7 m -72.81 -29.61 30.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.614 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -83.75 1.82 40.91 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.245 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.499 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -58.11 -38.23 76.07 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.773 -179.023 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.624 HG13 ' N ' ' B' ' 55' ' ' ASP . 7.1 p -59.71 -44.05 92.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 C-N-CA 119.692 -0.803 . . . . 0.0 110.1 179.227 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.624 ' N ' HG13 ' B' ' 54' ' ' VAL . 89.2 m-20 -62.81 -43.55 98.51 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.523 179.605 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 51.6 mttp -62.06 -40.27 95.2 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.926 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.499 HG23 ' O ' ' B' ' 53' ' ' ALA . 70.5 t -66.73 -46.5 85.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.071 -0.513 . . . . 0.0 112.325 -179.162 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -64.96 -34.36 78.24 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 -178.301 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 14.2 mtmt -58.99 -41.11 86.83 Favored 'General case' 0 CA--C 1.521 -0.148 0 C-N-CA 119.053 -1.059 . . . . 0.0 110.857 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -65.44 -39.62 92.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.241 0.543 . . . . 0.0 110.947 178.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 71.2 mt -67.72 -35.37 78.65 Favored 'General case' 0 CA--C 1.511 -0.526 0 CA-C-N 115.491 -0.777 . . . . 0.0 112.599 -178.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.486 ' CG ' ' H ' ' B' ' 65' ' ' GLY . 44.8 t0 -72.19 72.34 0.9 Allowed 'General case' 0 N--CA 1.444 -0.74 0 C-N-CA 118.452 -1.299 . . . . 0.0 110.697 -178.202 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -62.75 -37.54 87.0 Favored 'General case' 0 CA--C 1.497 -1.091 0 N-CA-C 106.943 -1.503 . . . . 0.0 106.943 175.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.479 ' OD1' ' CG ' ' B' ' 66' ' ' ASP . 18.5 t-20 -57.87 -39.75 78.56 Favored 'General case' 0 N--CA 1.431 -1.407 0 CA-C-N 111.554 -2.566 . . . . 0.0 111.257 178.524 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.486 ' H ' ' CG ' ' B' ' 62' ' ' ASP . . . 79.79 18.76 72.1 Favored Glycine 0 CA--C 1.53 1.028 0 C-N-CA 121.399 -0.429 . . . . 0.0 112.983 178.039 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.499 ' O ' ' OE1' ' B' ' 68' ' ' GLU . 54.7 p30 -89.51 2.36 54.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 117.486 0.643 . . . . 0.0 112.59 -179.638 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 87.2 -2.72 86.87 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.692 -0.963 . . . . 0.0 110.692 178.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.499 ' OE1' ' O ' ' B' ' 66' ' ' ASP . 58.5 mp0 -121.24 160.36 24.04 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-N 115.395 -0.403 . . . . 0.0 110.51 179.526 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.472 HG21 HD22 ' B' ' 33' ' ' LEU . 48.5 t -102.9 130.37 53.11 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 N-CA-C 106.831 -1.544 . . . . 0.0 106.831 176.303 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.531 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 48.3 t0 -100.38 160.9 13.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.146 0.498 . . . . 0.0 111.587 -177.57 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.531 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 1.0 OUTLIER -50.59 -44.14 56.82 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.17 -178.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.418 ' HG2' HG21 ' A' ' 83' ' ' VAL . 94.1 mt-30 -61.95 -40.34 95.21 Favored 'General case' 0 C--O 1.245 0.857 0 C-N-CA 119.835 -0.746 . . . . 0.0 110.797 178.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.478 ' O ' HG22 ' B' ' 76' ' ' VAL . 79.5 mt-10 -64.42 -42.71 95.91 Favored 'General case' 0 C--O 1.244 0.783 0 CA-C-O 122.441 1.115 . . . . 0.0 109.664 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -63.31 -40.86 98.5 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 114.372 -1.285 . . . . 0.0 110.143 178.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.62 HG13 ' HB1' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -60.3 -47.86 90.61 Favored 'Isoleucine or valine' 0 C--O 1.249 1.038 0 CA-C-N 113.736 -1.575 . . . . 0.0 109.874 -179.028 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.478 HG22 ' O ' ' B' ' 73' ' ' GLU . 16.8 m -67.24 -34.95 72.49 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.561 0 C-N-CA 117.818 -1.553 . . . . 0.0 109.389 178.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.597 ' O ' HD13 ' B' ' 81' ' ' LEU . 32.6 tp -56.87 -51.31 69.56 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 118.795 -1.162 . . . . 0.0 111.909 178.259 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 34.3 m -68.41 -36.22 73.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 118.69 -1.204 . . . . 0.0 111.665 -178.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.74 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . . . -68.85 -49.23 60.17 Favored 'General case' 0 C--O 1.251 1.152 0 C-N-CA 119.078 -1.049 . . . . 0.0 111.982 -179.272 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.68 -39.57 94.36 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.597 HD13 ' O ' ' B' ' 77' ' ' LEU . 9.6 mp -65.08 -34.5 78.57 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 119.363 -0.935 . . . . 0.0 109.742 176.717 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 37.3 m -62.94 -49.88 73.03 Favored 'General case' 0 C--O 1.244 0.808 0 C-N-CA 119.731 -0.788 . . . . 0.0 111.192 179.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.409 HG21 ' HG2' ' A' ' 72' ' ' GLN . 13.1 p -63.97 -39.3 84.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 119.038 -1.065 . . . . 0.0 110.641 178.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.41 -30.47 71.28 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 121.145 0.498 . . . . 0.0 109.901 178.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 42.4 t -67.77 -54.4 19.55 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-N 115.487 -0.778 . . . . 0.0 109.417 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -55.99 -41.33 74.65 Favored 'General case' 0 C--O 1.239 0.517 0 C-N-CA 118.69 -1.204 . . . . 0.0 108.583 178.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . 0.672 ' O ' ' HB2' ' B' ' 91' ' ' GLU . 87.2 m-20 -59.25 -40.78 87.08 Favored 'General case' 0 C--O 1.201 -1.484 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.505 177.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.552 ' O ' ' O ' ' B' ' 91' ' ' GLU . 68.3 t80 -63.58 -40.62 97.43 Favored 'General case' 0 C--N 1.302 -1.49 0 C-N-CA 118.203 -1.399 . . . . 0.0 110.694 179.05 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -64.81 -60.24 3.31 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 120.068 -0.653 . . . . 0.0 112.29 -178.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 90' ' ' TRP . . . . . 0.591 ' CD2' ' OH ' ' A' ' 26' ' ' TYR . 19.8 t-105 -68.78 -44.28 73.97 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.641 0.734 . . . . 0.0 111.485 179.143 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . 0.672 ' HB2' ' O ' ' B' ' 87' ' ' ASN . 61.0 mm-40 . . . . . 0 C--N 1.319 -0.76 0 CA-C-N 114.49 -1.232 . . . . 0.0 111.547 -179.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 . . . . . 0 C--O 1.236 0.37 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.503 HD23 ' O ' ' A' ' 4' ' ' LEU . 5.6 tt -61.97 -41.2 97.75 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 118.696 -1.202 . . . . 0.0 107.963 -179.317 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -65.32 -37.44 87.1 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.124 178.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.2 m -59.09 -41.0 87.04 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 179.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.74 -46.02 84.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.494 179.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 99.1 mtp -59.55 -41.42 90.06 Favored 'General case' 0 C--O 1.247 0.97 0 CA-C-O 121.78 0.8 . . . . 0.0 109.833 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.34 -35.45 81.03 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 115.327 -0.852 . . . . 0.0 110.132 177.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 53.1 m -64.29 -43.07 95.91 Favored 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 119.605 -0.838 . . . . 0.0 110.046 179.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 38.6 mt -61.85 -42.57 99.21 Favored 'General case' 0 C--O 1.239 0.515 0 C-N-CA 119.119 -1.033 . . . . 0.0 108.797 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.2 mt -61.68 -45.15 99.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 C-N-CA 119.732 -0.787 . . . . 0.0 111.176 178.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -62.05 -41.39 98.08 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 -179.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.8 m -73.65 -41.2 55.17 Favored 'Isoleucine or valine' 0 C--O 1.256 1.432 0 C-N-CA 119.128 -1.029 . . . . 0.0 110.938 -179.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -60.59 -47.43 86.23 Favored 'General case' 0 CA--C 1.513 -0.455 0 C-N-CA 119.388 -0.925 . . . . 0.0 109.767 177.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -63.52 -34.73 78.43 Favored 'General case' 0 CA--C 1.502 -0.894 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.839 177.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.554 ' O ' ' HB2' ' A' ' 21' ' ' LYS . . . -57.63 -51.85 67.84 Favored 'General case' 0 N--CA 1.436 -1.172 0 C-N-CA 118.746 -1.181 . . . . 0.0 109.333 -179.059 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.469 ' ND1' ' HG ' ' A' ' 36' ' ' LEU . 46.9 m80 -78.41 -52.89 7.89 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 114.772 1.397 . . . . 0.0 114.772 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.422 ' OG ' ' O ' ' A' ' 25' ' ' LYS . 24.7 t -58.04 -40.91 82.08 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 118.889 -1.124 . . . . 0.0 109.1 -179.153 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.13 -43.93 69.28 Favored Glycine 0 C--N 1.343 0.969 0 CA-C-N 115.316 -0.856 . . . . 0.0 112.12 178.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.554 ' HB2' ' O ' ' A' ' 17' ' ' ALA . 6.1 ttpm? -59.39 -42.27 91.33 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 120.112 -0.635 . . . . 0.0 111.814 -179.297 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.443 ' C ' ' OE2' ' A' ' 32' ' ' GLU . 76.9 mm-40 -129.94 151.4 50.54 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.2 -149.3 31.52 Favored Glycine 0 N--CA 1.464 0.558 0 CA-C-N 115.848 -0.615 . . . . 0.0 112.306 177.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -70.98 140.1 50.77 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 179.186 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.422 ' O ' ' OG ' ' A' ' 19' ' ' SER . 34.4 mtmt -61.73 -32.78 73.03 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 -177.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.599 ' OH ' ' CE3' ' B' ' 90' ' ' TRP . 93.7 m-85 -107.72 19.76 19.71 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 -177.153 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.403 ' CG ' ' OE2' ' A' ' 68' ' ' GLU . 34.0 tptt -139.92 143.95 36.88 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.459 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.5 tp -116.57 132.32 56.71 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 120.537 -0.465 . . . . 0.0 111.277 -175.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.9 t -99.71 158.59 15.67 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.566 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.9 ttpt -52.72 -45.75 67.08 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-O 121.267 0.556 . . . . 0.0 110.947 -177.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.59 ' HG3' ' N ' ' A' ' 32' ' ' GLU . 25.6 pttm -59.92 -48.02 83.39 Favored 'General case' 0 N--CA 1.437 -1.077 0 CA-C-N 115.564 -0.743 . . . . 0.0 109.675 -178.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.59 ' N ' ' HG3' ' A' ' 31' ' ' LYS . 95.2 mt-10 -63.31 -49.03 75.57 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 115.541 -0.754 . . . . 0.0 112.335 -178.489 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 pp -61.52 -34.65 75.89 Favored 'General case' 0 CA--C 1.501 -0.905 0 C-N-CA 118.577 -1.249 . . . . 0.0 109.963 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.561 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 0.3 OUTLIER -54.9 -37.38 66.25 Favored 'General case' 0 N--CA 1.436 -1.149 0 C-N-CA 118.058 -1.457 . . . . 0.0 108.004 178.046 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.863 ' O ' HG23 ' A' ' 39' ' ' THR . 97.4 mt-10 -74.88 -40.81 60.74 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 179.226 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.775 HD23 ' O ' ' A' ' 36' ' ' LEU . 3.6 tt -66.07 -46.14 78.81 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 119.754 -0.778 . . . . 0.0 111.813 -176.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.571 ' CD2' ' N ' ' A' ' 37' ' ' LEU . 1.3 mm? -64.0 -43.23 96.28 Favored 'General case' 0 CA--C 1.519 -0.235 0 C-N-CA 118.578 -1.249 . . . . 0.0 111.13 -179.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.561 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 27.1 mt-30 -64.36 -39.43 93.86 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.584 -0.446 . . . . 0.0 112.141 179.651 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.863 HG23 ' O ' ' A' ' 35' ' ' GLU . 64.0 p -70.61 -38.62 74.0 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.039 -0.664 . . . . 0.0 111.432 -179.649 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -92.85 -53.03 4.33 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.535 0.568 . . . . 0.0 112.535 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.557 ' O ' ' O ' ' A' ' 37' ' ' LEU . 29.9 mt -103.83 142.37 34.5 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.292 0.568 . . . . 0.0 111.417 -178.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.518 ' OG ' ' N ' ' A' ' 43' ' ' GLY . 51.8 p -115.81 -66.54 1.07 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.616 178.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.518 ' N ' ' OG ' ' A' ' 42' ' ' SER . . . -58.48 -37.76 89.2 Favored Glycine 0 CA--C 1.531 1.036 0 CA-C-N 115.664 -0.698 . . . . 0.0 113.777 -178.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -60.34 -52.91 63.26 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 117.938 0.869 . . . . 0.0 112.248 -178.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -74.58 -39.11 62.44 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 120.398 -0.521 . . . . 0.0 111.406 178.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -60.41 -32.63 71.53 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.648 -0.705 . . . . 0.0 112.636 -178.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.66 -33.59 68.48 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -177.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -61.69 -36.55 81.21 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 119.824 -0.75 . . . . 0.0 109.495 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.533 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 68.8 mttm 61.29 36.95 17.49 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.144 -0.935 . . . . 0.0 112.396 179.063 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.533 ' OD1' ' O ' ' A' ' 49' ' ' LYS . 91.7 m-20 -142.22 148.43 38.14 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 120.995 -0.282 . . . . 0.0 110.374 178.165 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.6 m -74.07 -31.29 29.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.558 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -82.85 -2.77 55.64 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.91 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.588 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -58.71 -38.57 78.58 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.491 -0.484 . . . . 0.0 110.735 -178.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.602 HG13 ' N ' ' A' ' 55' ' ' ASP . 10.0 p -60.92 -43.89 96.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 C-N-CA 119.815 -0.754 . . . . 0.0 110.616 179.644 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.602 ' N ' HG13 ' A' ' 54' ' ' VAL . 56.6 t0 -63.13 -45.03 93.9 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 120.168 -0.613 . . . . 0.0 110.387 179.692 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -62.6 -39.47 93.85 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 120.361 -0.536 . . . . 0.0 111.143 179.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.588 HG23 ' O ' ' A' ' 53' ' ' ALA . 74.5 t -64.89 -45.31 95.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 C-N-CA 120.561 -0.456 . . . . 0.0 111.683 -179.55 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.538 ' CE ' ' O ' ' A' ' 67' ' ' GLY . 0.9 OUTLIER -65.58 -33.59 76.25 Favored 'General case' 0 C--O 1.236 0.394 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 -178.838 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.5 mtmt -59.18 -40.98 87.37 Favored 'General case' 0 CA--C 1.52 -0.176 0 C-N-CA 119.398 -0.921 . . . . 0.0 111.186 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -64.8 -39.16 93.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.203 0.525 . . . . 0.0 110.704 179.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 62.1 mt -67.82 -35.12 78.04 Favored 'General case' 0 CA--C 1.508 -0.645 0 CA-C-N 115.428 -0.805 . . . . 0.0 112.112 -179.056 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.574 ' OD2' ' N ' ' A' ' 66' ' ' ASP . 31.1 t0 -72.22 76.85 0.98 Allowed 'General case' 0 N--CA 1.443 -0.786 0 C-N-CA 118.605 -1.238 . . . . 0.0 111.231 -178.027 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -63.44 -37.07 85.88 Favored 'General case' 0 CA--C 1.5 -0.954 0 CA-C-O 123.105 1.431 . . . . 0.0 107.284 175.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.493 ' OD1' ' OD2' ' A' ' 66' ' ' ASP . 15.6 t-20 -57.33 -38.86 74.75 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-N 111.464 -2.607 . . . . 0.0 112.077 179.277 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.469 ' H ' ' CG ' ' A' ' 62' ' ' ASP . . . 86.9 13.06 67.41 Favored Glycine 0 CA--C 1.529 0.951 0 C-N-CA 121.042 -0.599 . . . . 0.0 112.51 178.545 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.574 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 54.1 p30 -89.38 6.35 41.03 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.119 0.415 . . . . 0.0 112.119 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.538 ' O ' ' CE ' ' A' ' 58' ' ' MET . . . 68.96 -1.93 9.47 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.432 -1.067 . . . . 0.0 110.432 179.616 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.494 ' O ' ' OD1' ' A' ' 66' ' ' ASP . 83.8 tt0 -117.45 144.76 44.69 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 47.9 t -96.48 133.33 38.21 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.44 0 C-N-CA 120.145 -0.622 . . . . 0.0 110.912 -176.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.551 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 51.1 t0 -100.2 159.49 15.07 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.333 0.587 . . . . 0.0 111.651 -178.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.551 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 1.0 OUTLIER -50.67 -43.97 57.6 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.618 -178.504 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.416 ' HG2' HG21 ' B' ' 83' ' ' VAL . 94.1 mt-30 -61.71 -40.31 94.58 Favored 'General case' 0 C--O 1.245 0.83 0 C-N-CA 119.673 -0.811 . . . . 0.0 110.899 179.072 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.504 ' O ' HG22 ' A' ' 76' ' ' VAL . 86.3 mt-10 -64.27 -42.82 96.26 Favored 'General case' 0 C--O 1.245 0.822 0 CA-C-O 122.497 1.141 . . . . 0.0 109.584 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -63.04 -41.11 99.42 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-N 114.268 -1.333 . . . . 0.0 110.413 178.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.616 HG13 ' HB1' ' B' ' 79' ' ' ALA . 0.5 OUTLIER -60.23 -47.53 91.8 Favored 'Isoleucine or valine' 0 C--O 1.248 0.979 0 CA-C-N 113.706 -1.588 . . . . 0.0 109.784 -178.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.504 HG22 ' O ' ' A' ' 73' ' ' GLU . 17.4 m -67.06 -34.92 72.88 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.597 0 C-N-CA 117.705 -1.598 . . . . 0.0 109.218 178.563 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.561 ' O ' HD13 ' A' ' 81' ' ' LEU . 34.5 tp -56.5 -51.79 67.15 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 118.682 -1.207 . . . . 0.0 112.0 178.1 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 34.9 m -68.41 -36.2 73.89 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 C-N-CA 118.385 -1.326 . . . . 0.0 111.749 -178.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.726 ' HB2' ' HB2' ' B' ' 79' ' ' ALA . . . -68.57 -48.68 63.59 Favored 'General case' 0 C--O 1.249 1.039 0 C-N-CA 119.123 -1.031 . . . . 0.0 111.998 -179.315 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.99 -39.72 95.58 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.561 HD13 ' O ' ' A' ' 77' ' ' LEU . 9.6 mp -65.0 -34.93 79.62 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 119.304 -0.958 . . . . 0.0 109.961 176.61 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 37.0 m -62.92 -50.32 71.33 Favored 'General case' 0 C--O 1.246 0.911 0 C-N-CA 119.655 -0.818 . . . . 0.0 111.484 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.419 HG21 ' HG2' ' B' ' 72' ' ' GLN . 13.5 p -63.98 -38.67 83.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 C-N-CA 119.129 -1.028 . . . . 0.0 110.682 178.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.66 -30.6 71.33 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 121.052 0.453 . . . . 0.0 109.897 178.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 24.8 t -68.34 -54.8 14.92 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.685 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -56.19 -41.08 74.98 Favored 'General case' 0 C--O 1.243 0.712 0 C-N-CA 118.748 -1.181 . . . . 0.0 108.666 178.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.687 ' O ' ' HB2' ' A' ' 91' ' ' GLU . 87.4 m-20 -59.46 -40.64 87.54 Favored 'General case' 0 C--O 1.199 -1.569 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.307 177.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.56 ' O ' ' O ' ' A' ' 91' ' ' GLU . 68.2 t80 -63.43 -40.2 96.55 Favored 'General case' 0 C--N 1.3 -1.557 0 C-N-CA 118.103 -1.439 . . . . 0.0 110.374 178.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -64.05 -61.28 2.36 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 120.023 -0.671 . . . . 0.0 112.354 -178.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.604 ' CE3' ' OH ' ' B' ' 26' ' ' TYR . 21.2 t-105 -69.23 -43.39 74.15 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 119.76 -0.776 . . . . 0.0 111.701 179.076 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.687 ' HB2' ' O ' ' A' ' 87' ' ' ASN . 93.8 mt-10 . . . . . 0 C--N 1.319 -0.758 0 CA-C-N 114.391 -1.277 . . . . 0.0 111.692 -179.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 . . . . . 0 C--O 1.237 0.397 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.499 HD23 ' O ' ' B' ' 4' ' ' LEU . 5.6 tt -61.93 -41.24 97.73 Favored 'General case' 0 C--O 1.238 0.48 0 C-N-CA 118.722 -1.191 . . . . 0.0 107.971 -179.372 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -65.26 -37.48 87.35 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.096 178.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 45.7 m -59.07 -40.87 86.52 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 179.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.9 -46.02 83.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.391 179.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 99.1 mtp -59.65 -41.45 90.6 Favored 'General case' 0 C--O 1.249 1.056 0 CA-C-O 121.651 0.739 . . . . 0.0 109.75 179.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.13 -36.28 83.77 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.122 177.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 51.2 m -63.35 -43.36 97.93 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 119.712 -0.795 . . . . 0.0 110.254 179.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 44.7 mt -61.86 -42.49 99.11 Favored 'General case' 0 C--O 1.238 0.495 0 C-N-CA 119.185 -1.006 . . . . 0.0 108.773 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.2 mt -61.65 -45.18 99.21 Favored 'Isoleucine or valine' 0 C--O 1.232 0.163 0 CA-C-N 115.432 -0.803 . . . . 0.0 111.162 178.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -62.2 -41.36 98.28 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 -178.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 15.8 m -73.63 -41.21 55.31 Favored 'Isoleucine or valine' 0 C--O 1.256 1.399 0 C-N-CA 119.15 -1.02 . . . . 0.0 110.914 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -60.59 -47.37 86.51 Favored 'General case' 0 CA--C 1.513 -0.48 0 C-N-CA 119.416 -0.913 . . . . 0.0 109.77 177.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -63.59 -34.75 78.51 Favored 'General case' 0 CA--C 1.502 -0.9 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.8 177.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.546 ' O ' ' HB2' ' B' ' 21' ' ' LYS . . . -57.68 -51.73 68.34 Favored 'General case' 0 N--CA 1.435 -1.183 0 C-N-CA 118.746 -1.182 . . . . 0.0 109.356 -179.059 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.484 ' HB2' HD12 ' B' ' 36' ' ' LEU . 46.9 m80 -78.46 -52.93 7.82 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.417 ' OG ' ' O ' ' B' ' 25' ' ' LYS . 24.7 t -58.08 -40.98 82.46 Favored 'General case' 0 C--O 1.232 0.172 0 C-N-CA 118.989 -1.085 . . . . 0.0 109.083 -179.152 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.01 -44.06 69.42 Favored Glycine 0 C--N 1.342 0.909 0 O-C-N 124.093 0.871 . . . . 0.0 112.104 178.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . 0.546 ' HB2' ' O ' ' B' ' 17' ' ' ALA . 6.1 ttpm? -59.32 -42.32 91.14 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.145 -0.622 . . . . 0.0 111.858 -179.286 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.441 ' C ' ' OE2' ' B' ' 32' ' ' GLU . 76.9 mm-40 -129.91 151.45 50.45 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 179.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.15 -149.22 31.5 Favored Glycine 0 CA--C 1.524 0.608 0 CA-C-N 115.835 -0.621 . . . . 0.0 112.338 177.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -70.94 140.12 50.85 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 179.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.417 ' O ' ' OG ' ' B' ' 19' ' ' SER . 34.4 mtmt -61.8 -32.82 73.15 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 -177.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.604 ' OH ' ' CE3' ' A' ' 90' ' ' TRP . 93.8 m-85 -107.62 19.69 19.84 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 113.067 0.766 . . . . 0.0 113.067 -177.12 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.425 ' HG2' ' CD ' ' B' ' 68' ' ' GLU . 34.8 tptt -139.82 144.04 37.12 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 179.497 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 14.5 tp -116.66 132.33 56.72 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 120.519 -0.472 . . . . 0.0 111.276 -175.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 33.0 t -99.69 158.65 15.63 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.527 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 19.9 ttpt -52.78 -45.74 67.29 Favored 'General case' 0 C--O 1.24 0.572 0 CA-C-O 121.212 0.53 . . . . 0.0 110.992 -177.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.609 ' HG3' ' N ' ' B' ' 32' ' ' GLU . 25.6 pttm -59.9 -48.1 83.05 Favored 'General case' 0 N--CA 1.438 -1.049 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.593 -178.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.609 ' N ' ' HG3' ' B' ' 31' ' ' LYS . 95.1 mt-10 -63.19 -49.15 75.4 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.317 -178.459 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 pp -61.42 -34.63 75.71 Favored 'General case' 0 CA--C 1.501 -0.926 0 C-N-CA 118.537 -1.265 . . . . 0.0 110.03 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.557 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 0.3 OUTLIER -54.94 -37.4 66.37 Favored 'General case' 0 N--CA 1.437 -1.111 0 C-N-CA 118.048 -1.461 . . . . 0.0 107.995 178.042 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.875 ' O ' HG23 ' B' ' 39' ' ' THR . 97.4 mt-10 -74.84 -40.88 60.79 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 179.218 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.759 HD23 ' O ' ' B' ' 36' ' ' LEU . 3.6 tt -66.08 -46.09 78.95 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 119.723 -0.791 . . . . 0.0 111.833 -176.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.574 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 1.2 mm? -64.09 -43.19 96.13 Favored 'General case' 0 CA--C 1.52 -0.195 0 C-N-CA 118.623 -1.231 . . . . 0.0 111.056 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.557 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 27.1 mt-30 -64.44 -39.44 93.82 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.538 -0.465 . . . . 0.0 112.134 179.663 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.875 HG23 ' O ' ' B' ' 35' ' ' GLU . 64.4 p -70.51 -38.63 74.31 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 120.082 -0.647 . . . . 0.0 111.385 -179.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -92.84 -53.01 4.34 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.538 0.569 . . . . 0.0 112.538 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.556 ' O ' ' O ' ' B' ' 37' ' ' LEU . 29.9 mt -103.86 142.36 34.53 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 121.181 0.515 . . . . 0.0 111.443 -178.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.521 ' OG ' ' N ' ' B' ' 43' ' ' GLY . 51.8 p -115.89 -66.48 1.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.603 178.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . 0.521 ' N ' ' OG ' ' B' ' 42' ' ' SER . . . -58.54 -37.81 89.66 Favored Glycine 0 CA--C 1.531 1.04 0 CA-C-N 115.733 -0.667 . . . . 0.0 113.639 -178.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -60.35 -52.85 63.48 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 118.007 0.904 . . . . 0.0 112.285 -178.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -74.5 -39.14 62.6 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.12 0.486 . . . . 0.0 111.393 178.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -60.42 -32.65 71.56 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.646 -178.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.66 -33.57 68.45 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -177.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 94.0 mm-40 -61.73 -36.59 81.4 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 119.768 -0.773 . . . . 0.0 109.376 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.536 ' O ' ' OD1' ' B' ' 50' ' ' ASP . 68.8 mttm 61.27 36.98 17.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.2 -0.909 . . . . 0.0 112.414 179.092 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . 0.536 ' OD1' ' O ' ' B' ' 49' ' ' LYS . 92.0 m-20 -142.22 148.45 38.16 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 120.974 -0.291 . . . . 0.0 110.32 178.142 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 5.6 m -74.12 -31.18 28.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.564 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -82.85 -2.74 55.57 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.913 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.587 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -58.63 -38.62 78.47 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.466 -0.494 . . . . 0.0 110.786 -179.001 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.608 HG13 ' N ' ' B' ' 55' ' ' ASP . 9.9 p -60.88 -43.96 96.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 C-N-CA 119.779 -0.769 . . . . 0.0 110.622 179.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.608 ' N ' HG13 ' B' ' 54' ' ' VAL . 56.5 t0 -63.05 -45.12 93.73 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 120.264 -0.574 . . . . 0.0 110.401 179.647 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -62.53 -39.52 93.84 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 120.489 -0.484 . . . . 0.0 111.148 179.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.587 HG23 ' O ' ' B' ' 53' ' ' ALA . 74.7 t -64.86 -45.3 95.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 C-N-CA 120.519 -0.473 . . . . 0.0 111.671 -179.559 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.535 ' CE ' ' O ' ' B' ' 67' ' ' GLY . 0.9 OUTLIER -65.55 -33.76 76.67 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 113.526 0.936 . . . . 0.0 113.526 -178.792 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 12.5 mtmt -59.2 -40.93 87.3 Favored 'General case' 0 CA--C 1.522 -0.117 0 C-N-CA 119.39 -0.924 . . . . 0.0 111.116 -179.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -64.85 -39.15 93.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.192 0.52 . . . . 0.0 110.667 179.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 61.8 mt -67.81 -35.18 78.16 Favored 'General case' 0 CA--C 1.508 -0.649 0 CA-C-N 115.386 -0.825 . . . . 0.0 112.093 -179.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.579 ' OD2' ' N ' ' B' ' 66' ' ' ASP . 31.4 t0 -72.18 76.7 0.97 Allowed 'General case' 0 N--CA 1.443 -0.813 0 C-N-CA 118.724 -1.191 . . . . 0.0 111.236 -177.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -63.28 -37.17 86.19 Favored 'General case' 0 CA--C 1.5 -0.946 0 CA-C-O 123.219 1.485 . . . . 0.0 107.335 175.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.501 ' OD1' ' OD2' ' B' ' 66' ' ' ASP . 15.6 t-20 -57.28 -38.8 74.48 Favored 'General case' 0 C--N 1.304 -1.379 0 CA-C-N 111.393 -2.639 . . . . 0.0 112.101 179.204 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.467 ' H ' ' CG ' ' B' ' 62' ' ' ASP . . . 86.8 13.1 67.61 Favored Glycine 0 CA--C 1.529 0.943 0 C-N-CA 121.045 -0.598 . . . . 0.0 112.512 178.556 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.579 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 54.2 p30 -89.38 6.35 41.01 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -179.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.535 ' O ' ' CE ' ' B' ' 58' ' ' MET . . . 69.0 -1.98 9.48 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.337 -1.105 . . . . 0.0 110.337 179.624 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.497 ' O ' ' OD1' ' B' ' 66' ' ' ASP . 83.8 tt0 -117.45 144.86 44.59 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 47.9 t -96.61 133.29 38.54 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.492 0 C-N-CA 120.162 -0.615 . . . . 0.0 110.866 -176.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.553 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 50.4 t0 -99.86 159.46 15.06 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.361 0.6 . . . . 0.0 111.617 -178.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.553 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 1.0 OUTLIER -50.76 -44.01 58.47 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.693 -178.746 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.419 ' HG2' HG21 ' A' ' 83' ' ' VAL . 94.1 mt-30 -61.6 -40.34 94.43 Favored 'General case' 0 C--O 1.247 0.949 0 C-N-CA 119.666 -0.813 . . . . 0.0 110.911 178.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.492 ' O ' HG22 ' B' ' 76' ' ' VAL . 86.4 mt-10 -64.29 -42.8 96.21 Favored 'General case' 0 C--O 1.244 0.78 0 CA-C-O 122.509 1.147 . . . . 0.0 109.532 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -63.05 -41.11 99.4 Favored 'General case' 0 C--O 1.24 0.598 0 CA-C-N 114.288 -1.324 . . . . 0.0 110.4 178.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.623 HG13 ' HB1' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -60.36 -47.45 92.38 Favored 'Isoleucine or valine' 0 C--O 1.248 1.01 0 CA-C-N 113.701 -1.59 . . . . 0.0 109.751 -178.869 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.492 HG22 ' O ' ' B' ' 73' ' ' GLU . 17.2 m -67.04 -34.89 72.75 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.644 0 C-N-CA 117.713 -1.595 . . . . 0.0 109.31 178.463 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.559 ' O ' HD13 ' B' ' 81' ' ' LEU . 33.9 tp -56.56 -51.71 67.53 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 118.732 -1.187 . . . . 0.0 112.055 178.085 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 34.8 m -68.37 -36.23 74.09 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 C-N-CA 118.465 -1.294 . . . . 0.0 111.799 -178.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.726 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . . . -68.63 -48.67 63.47 Favored 'General case' 0 C--O 1.249 1.055 0 C-N-CA 119.056 -1.058 . . . . 0.0 112.004 -179.342 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.89 -39.79 95.56 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.559 HD13 ' O ' ' B' ' 77' ' ' LEU . 9.5 mp -64.95 -35.08 80.01 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 119.217 -0.993 . . . . 0.0 109.927 176.628 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 36.5 m -62.72 -50.41 71.23 Favored 'General case' 0 C--O 1.247 0.947 0 C-N-CA 119.749 -0.78 . . . . 0.0 111.409 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.416 HG21 ' HG2' ' A' ' 72' ' ' GLN . 13.3 p -63.88 -38.82 83.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 119.112 -1.035 . . . . 0.0 110.672 178.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.59 -30.51 71.24 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-O 121.138 0.494 . . . . 0.0 109.995 178.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 25.0 t -68.41 -54.91 13.98 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.517 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -56.12 -41.13 74.81 Favored 'General case' 0 C--O 1.242 0.694 0 C-N-CA 118.792 -1.163 . . . . 0.0 108.688 179.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . 0.667 ' O ' ' HB2' ' B' ' 91' ' ' GLU . 87.3 m-20 -59.35 -40.7 87.25 Favored 'General case' 0 C--O 1.199 -1.559 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.427 177.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.558 ' O ' ' O ' ' B' ' 91' ' ' GLU . 68.6 t80 -63.48 -39.98 95.89 Favored 'General case' 0 C--N 1.301 -1.514 0 C-N-CA 118.1 -1.44 . . . . 0.0 110.452 178.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -64.26 -61.2 2.4 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 120.033 -0.667 . . . . 0.0 112.328 -178.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 90' ' ' TRP . . . . . 0.599 ' CE3' ' OH ' ' A' ' 26' ' ' TYR . 21.4 t-105 -69.26 -43.45 73.9 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 119.793 -0.763 . . . . 0.0 111.623 179.064 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . 0.667 ' HB2' ' O ' ' B' ' 87' ' ' ASN . 93.9 mt-10 . . . . . 0 C--N 1.317 -0.81 0 CA-C-N 114.391 -1.277 . . . . 0.0 111.713 -179.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 . . . . . 0 C--O 1.238 0.46 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.456 HD23 ' O ' ' A' ' 4' ' ' LEU . 5.6 tt -59.65 -41.87 91.53 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 119.032 -1.067 . . . . 0.0 108.172 -178.505 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.602 ' OE2' HD22 ' B' ' 41' ' ' LEU . 71.5 mm-40 -65.84 -36.31 83.11 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.786 177.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 42.6 m -58.74 -41.29 86.12 Favored 'General case' 0 C--O 1.238 0.46 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 178.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.72 -46.08 83.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.724 179.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 99.4 mtp -59.45 -41.3 89.34 Favored 'General case' 0 C--O 1.247 0.957 0 CA-C-O 121.732 0.777 . . . . 0.0 109.608 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.21 -35.77 82.08 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.987 177.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 53.6 m -63.46 -43.12 98.27 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 119.494 -0.882 . . . . 0.0 109.92 179.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 36.9 mt -61.58 -42.49 98.92 Favored 'General case' 0 C--O 1.241 0.653 0 C-N-CA 119.16 -1.016 . . . . 0.0 108.703 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.543 HG23 ' ND2' ' B' ' 86' ' ' ASN . 97.9 mt -61.2 -45.25 98.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.035 178.458 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -62.13 -40.9 97.46 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -179.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.9 m -74.41 -41.44 49.81 Favored 'Isoleucine or valine' 0 C--O 1.256 1.441 0 C-N-CA 119.165 -1.014 . . . . 0.0 111.238 -179.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -60.37 -47.8 84.49 Favored 'General case' 0 CA--C 1.512 -0.494 0 C-N-CA 119.105 -1.038 . . . . 0.0 109.701 177.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -63.9 -34.66 78.46 Favored 'General case' 0 CA--C 1.5 -0.955 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.942 177.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.532 ' O ' ' HB2' ' A' ' 21' ' ' LYS . . . -57.99 -51.78 68.22 Favored 'General case' 0 N--CA 1.434 -1.234 0 C-N-CA 118.532 -1.267 . . . . 0.0 109.513 -178.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.467 ' CD2' ' HG ' ' A' ' 36' ' ' LEU . 25.4 m-70 -79.07 -53.37 7.07 Favored 'General case' 0 C--O 1.242 0.7 0 N-CA-C 114.658 1.355 . . . . 0.0 114.658 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.469 ' OG ' ' O ' ' A' ' 25' ' ' LYS . 25.7 t -57.67 -40.07 78.52 Favored 'General case' 0 CA--C 1.519 -0.222 0 C-N-CA 118.738 -1.185 . . . . 0.0 108.574 -179.478 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.13 -43.68 89.37 Favored Glycine 0 C--N 1.341 0.838 0 CA-C-N 115.197 -0.911 . . . . 0.0 111.544 178.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.532 ' HB2' ' O ' ' A' ' 17' ' ' ALA . 5.9 ttpm? -59.52 -42.19 91.67 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.219 -0.592 . . . . 0.0 112.377 -178.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -128.8 148.97 50.91 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 114.028 1.122 . . . . 0.0 114.028 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.17 -133.8 50.8 Favored Glycine 0 N--CA 1.465 0.609 0 CA-C-N 115.062 -0.972 . . . . 0.0 113.312 176.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -79.51 127.93 32.74 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 114.726 -0.737 . . . . 0.0 109.8 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.469 ' O ' ' OG ' ' A' ' 19' ' ' SER . 33.2 mtmt -57.79 -31.94 67.05 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.229 -0.896 . . . . 0.0 112.933 -177.139 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.595 ' OH ' ' CE3' ' B' ' 90' ' ' TRP . 98.8 m-85 -106.3 19.85 19.87 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -177.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.437 ' CG ' ' OE2' ' A' ' 68' ' ' GLU . 16.8 tptm -139.99 143.27 36.39 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.287 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.1 tp -116.31 130.46 56.79 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.905 -176.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 35.1 t -102.14 162.34 12.99 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 -179.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.7 ttpt -52.1 -46.31 65.2 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-O 121.161 0.505 . . . . 0.0 111.204 -178.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.601 ' HG3' ' N ' ' A' ' 32' ' ' GLU . 54.3 pttt -60.4 -48.6 81.03 Favored 'General case' 0 N--CA 1.437 -1.08 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.004 -178.673 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.601 ' N ' ' HG3' ' A' ' 31' ' ' LYS . 93.7 mt-10 -64.13 -52.13 60.61 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.3 -178.122 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.0 pp -60.38 -36.38 77.92 Favored 'General case' 0 CA--C 1.499 -1.008 0 C-N-CA 119.29 -0.964 . . . . 0.0 110.731 -179.076 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.8 tptm -55.79 -36.45 67.4 Favored 'General case' 0 N--CA 1.432 -1.351 0 C-N-CA 117.759 -1.576 . . . . 0.0 107.97 178.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.754 ' O ' HG23 ' A' ' 39' ' ' THR . 96.8 mt-10 -75.14 -40.61 59.57 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 179.381 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.747 HD23 ' O ' ' A' ' 36' ' ' LEU . 3.0 tt -65.51 -46.04 81.21 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 120.322 -0.551 . . . . 0.0 111.458 -177.309 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.582 ' O ' ' N ' ' A' ' 41' ' ' LEU . 1.1 mm? -64.44 -41.94 96.27 Favored 'General case' 0 CA--C 1.519 -0.221 0 C-N-CA 118.858 -1.137 . . . . 0.0 110.84 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -64.01 -39.78 94.87 Favored 'General case' 0 C--O 1.231 0.129 0 C-N-CA 120.358 -0.537 . . . . 0.0 111.948 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.754 HG23 ' O ' ' A' ' 35' ' ' GLU . 71.6 p -71.1 -38.5 72.36 Favored 'General case' 0 C--N 1.334 -0.101 0 C-N-CA 119.999 -0.68 . . . . 0.0 111.536 -179.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -91.09 -50.77 5.67 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.603 HD22 ' OE2' ' B' ' 5' ' ' GLU . 29.5 mt -107.42 143.12 36.21 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 121.245 0.545 . . . . 0.0 111.57 -179.152 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.1 -66.51 1.08 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.229 178.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.29 -37.87 92.5 Favored Glycine 0 CA--C 1.533 1.186 0 CA-C-N 115.663 -0.699 . . . . 0.0 113.834 -179.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -60.05 -52.62 64.57 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 118.071 0.935 . . . . 0.0 112.203 -177.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -74.23 -40.89 62.11 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 120.281 -0.567 . . . . 0.0 111.151 178.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -61.28 -33.58 73.8 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.611 -0.722 . . . . 0.0 112.071 -179.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.63 -32.85 69.43 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -177.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 94.7 mm-40 -60.72 -33.77 73.4 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.138 -0.625 . . . . 0.0 109.864 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.5 tttp 71.09 -35.8 0.34 Allowed 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.488 -0.778 . . . . 0.0 112.23 179.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -70.15 142.59 52.49 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.305 -0.558 . . . . 0.0 111.231 -179.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.8 m -72.72 -30.05 32.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.801 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -86.63 5.3 36.54 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.254 0.55 . . . . 0.0 110.081 179.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.618 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -56.62 -38.77 72.54 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.852 -178.656 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.58 HG13 ' N ' ' A' ' 55' ' ' ASP . 7.0 p -60.3 -43.74 94.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.671 0 C-N-CA 119.788 -0.765 . . . . 0.0 110.168 179.223 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.58 ' N ' HG13 ' A' ' 54' ' ' VAL . 91.7 m-20 -61.49 -43.24 99.22 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.059 179.365 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -62.67 -37.52 86.76 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.112 -0.635 . . . . 0.0 109.816 178.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 53' ' ' ALA . 68.0 t -64.21 -45.72 95.49 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 CA-C-N 115.699 -0.682 . . . . 0.0 112.733 -178.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.505 ' CE ' ' O ' ' A' ' 67' ' ' GLY . 2.2 ptp -66.66 -33.62 76.06 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 118.818 -1.153 . . . . 0.0 113.113 -178.722 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 35.8 mmtt -59.25 -42.02 90.17 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 119.363 -0.935 . . . . 0.0 112.069 -178.139 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -66.2 -41.44 90.19 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.095 -0.642 . . . . 0.0 110.896 179.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.436 ' O ' ' CD ' ' A' ' 73' ' ' GLU . 78.5 mt -68.81 -32.11 71.58 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.82 -1.082 . . . . 0.0 112.741 -179.377 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.611 ' OD2' ' N ' ' A' ' 66' ' ' ASP . 50.7 t0 -74.3 94.13 2.47 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 -175.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 -65.68 -46.85 77.54 Favored 'General case' 0 CA--C 1.509 -0.632 0 CA-C-O 122.613 1.197 . . . . 0.0 110.622 175.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 31.5 m120 -59.57 -35.27 73.94 Favored 'General case' 0 C--N 1.304 -1.41 0 CA-C-N 112.493 -2.14 . . . . 0.0 112.183 -178.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.505 ' H ' ' CG ' ' A' ' 62' ' ' ASP . . . 86.1 14.91 65.85 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 108.988 -1.645 . . . . 0.0 108.988 -177.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.611 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 27.0 p-10 -87.6 6.46 34.42 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 115.085 -0.558 . . . . 0.0 112.279 -179.017 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.564 ' N ' ' OD2' ' A' ' 62' ' ' ASP . . . 64.76 -2.53 2.55 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.198 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.465 ' H ' ' C ' ' A' ' 66' ' ' ASP . 82.5 tt0 -112.8 144.22 42.72 Favored 'General case' 0 C--O 1.241 0.62 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 45.7 t -102.35 132.92 47.39 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.656 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.279 -176.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.492 ' C ' ' OD1' ' A' ' 70' ' ' ASP . 39.6 p30 -100.16 171.6 7.7 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.215 0.531 . . . . 0.0 110.352 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -54.51 -45.45 73.3 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.765 -178.477 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -61.87 -41.15 97.51 Favored 'General case' 0 C--O 1.243 0.76 0 C-N-CA 120.054 -0.659 . . . . 0.0 112.163 -179.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.447 ' O ' HG22 ' A' ' 76' ' ' VAL . 96.7 mt-10 -64.82 -41.61 95.63 Favored 'General case' 0 C--O 1.243 0.712 0 CA-C-O 122.139 0.971 . . . . 0.0 109.877 179.175 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 68.8 t80 -63.37 -41.36 98.8 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-N 114.933 -1.031 . . . . 0.0 110.241 178.076 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.622 HG13 ' HB1' ' B' ' 79' ' ' ALA . 0.5 OUTLIER -60.16 -47.64 91.24 Favored 'Isoleucine or valine' 0 C--O 1.248 1.003 0 CA-C-N 113.86 -1.518 . . . . 0.0 110.064 -179.013 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.447 HG22 ' O ' ' A' ' 73' ' ' GLU . 13.5 m -67.59 -34.54 68.83 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.495 0 C-N-CA 117.804 -1.559 . . . . 0.0 109.279 178.71 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.56 ' O ' HD13 ' A' ' 81' ' ' LEU . 32.7 tp -56.64 -50.77 71.08 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 118.676 -1.21 . . . . 0.0 111.666 178.116 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 35.2 m -68.44 -36.66 75.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 118.403 -1.319 . . . . 0.0 111.7 -179.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.712 ' HB2' ' HB2' ' B' ' 79' ' ' ALA . . . -68.41 -48.2 65.27 Favored 'General case' 0 C--O 1.252 1.218 0 C-N-CA 119.146 -1.022 . . . . 0.0 112.007 -179.453 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.78 -39.84 95.48 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.09 179.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.56 HD13 ' O ' ' A' ' 77' ' ' LEU . 9.3 mp -65.3 -35.22 80.33 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 119.302 -0.959 . . . . 0.0 109.965 176.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 35.8 m -62.29 -50.63 70.92 Favored 'General case' 0 C--O 1.249 1.072 0 C-N-CA 119.692 -0.803 . . . . 0.0 111.393 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.8 p -63.59 -38.25 81.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 119.175 -1.01 . . . . 0.0 110.548 178.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.45 -31.44 72.53 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.236 178.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 4.8 t -69.87 -55.09 10.67 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.881 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.533 ' ND2' HG23 ' B' ' 12' ' ' ILE . 53.8 t-20 -56.8 -40.93 76.83 Favored 'General case' 0 C--O 1.243 0.713 0 C-N-CA 118.029 -1.468 . . . . 0.0 108.969 179.309 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.599 ' ND2' ' OE1' ' A' ' 91' ' ' GLU . 8.4 t-20 -60.49 -37.73 82.0 Favored 'General case' 0 C--O 1.201 -1.493 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 178.25 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.519 ' O ' ' O ' ' A' ' 91' ' ' GLU . 67.7 t80 -60.33 -41.59 93.86 Favored 'General case' 0 C--N 1.313 -0.997 0 C-N-CA 118.712 -1.195 . . . . 0.0 109.432 179.53 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -65.88 -59.7 3.6 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 112.943 0.72 . . . . 0.0 112.943 -179.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.597 ' CE3' ' OH ' ' B' ' 26' ' ' TYR . 20.4 t-105 -69.35 -46.26 67.44 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-O 121.885 0.85 . . . . 0.0 111.63 179.599 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.599 ' OE1' ' ND2' ' A' ' 87' ' ' ASN . 36.4 mt-10 . . . . . 0 C--N 1.317 -0.834 0 CA-C-N 114.129 -1.396 . . . . 0.0 111.033 179.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 . . . . . 0 C--O 1.239 0.514 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.458 HD23 ' O ' ' B' ' 4' ' ' LEU . 5.6 tt -59.58 -41.99 91.47 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 119.054 -1.058 . . . . 0.0 108.147 -178.522 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . 0.603 ' OE2' HD22 ' A' ' 41' ' ' LEU . 71.5 mm-40 -65.76 -36.38 83.39 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.786 177.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 44.9 m -58.75 -41.04 85.57 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 178.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.03 -45.96 83.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.64 179.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 99.3 mtp -59.53 -41.29 89.67 Favored 'General case' 0 C--O 1.247 0.955 0 CA-C-O 121.664 0.745 . . . . 0.0 109.639 179.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.2 -36.46 84.25 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.918 177.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 52.5 m -62.69 -43.36 99.02 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 119.487 -0.885 . . . . 0.0 110.088 179.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 42.7 mt -61.62 -42.39 98.81 Favored 'General case' 0 C--O 1.241 0.654 0 C-N-CA 119.172 -1.011 . . . . 0.0 108.64 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.533 HG23 ' ND2' ' A' ' 86' ' ' ASN . 98.0 mt -61.15 -45.26 98.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.026 178.442 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -62.16 -40.87 97.43 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 -178.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 15.8 m -74.37 -41.43 50.12 Favored 'Isoleucine or valine' 0 C--O 1.255 1.368 0 C-N-CA 119.189 -1.004 . . . . 0.0 111.27 -179.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -60.39 -47.84 84.31 Favored 'General case' 0 CA--C 1.511 -0.535 0 C-N-CA 119.066 -1.054 . . . . 0.0 109.682 177.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -63.75 -34.72 78.51 Favored 'General case' 0 CA--C 1.501 -0.931 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.972 177.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.537 ' O ' ' HB2' ' B' ' 21' ' ' LYS . . . -58.03 -51.69 68.63 Favored 'General case' 0 N--CA 1.434 -1.262 0 C-N-CA 118.42 -1.312 . . . . 0.0 109.577 -178.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.485 ' CD2' ' HG ' ' B' ' 36' ' ' LEU . 25.2 m-70 -79.02 -53.42 7.04 Favored 'General case' 0 C--O 1.241 0.623 0 N-CA-C 114.606 1.336 . . . . 0.0 114.606 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.462 ' OG ' ' O ' ' B' ' 25' ' ' LYS . 26.0 t -57.82 -39.99 78.91 Favored 'General case' 0 C--O 1.232 0.182 0 C-N-CA 118.713 -1.195 . . . . 0.0 108.535 -179.395 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.25 -43.55 88.61 Favored Glycine 0 C--N 1.341 0.807 0 CA-C-N 115.23 -0.895 . . . . 0.0 111.557 178.027 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . 0.537 ' HB2' ' O ' ' B' ' 17' ' ' ALA . 5.9 ttpm? -59.5 -42.25 91.73 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.232 -0.587 . . . . 0.0 112.352 -179.01 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -128.76 148.94 50.89 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 113.968 1.099 . . . . 0.0 113.968 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.23 -133.72 50.97 Favored Glycine 0 CA--C 1.524 0.635 0 CA-C-N 115.02 -0.991 . . . . 0.0 113.238 176.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -79.56 127.97 32.8 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 114.728 -0.736 . . . . 0.0 109.844 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.462 ' O ' ' OG ' ' B' ' 19' ' ' SER . 33.2 mtmt -57.9 -31.87 67.18 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.252 -0.886 . . . . 0.0 112.947 -177.051 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.597 ' OH ' ' CE3' ' A' ' 90' ' ' TRP . 98.9 m-85 -106.18 19.73 20.07 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 113.178 0.807 . . . . 0.0 113.178 -178.002 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.432 ' CG ' ' OE2' ' B' ' 68' ' ' GLU . 16.8 tptm -140.07 143.41 36.3 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 179.276 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 13.1 tp -116.3 130.48 56.8 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.984 -176.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 35.2 t -102.21 162.3 13.02 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 122.839 0.456 . . . . 0.0 111.112 -179.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 23.6 ttpt -52.02 -46.33 64.94 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-O 121.177 0.513 . . . . 0.0 111.185 -178.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.609 ' HG3' ' N ' ' B' ' 32' ' ' GLU . 54.6 pttt -60.49 -48.58 81.13 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.891 -178.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.609 ' N ' ' HG3' ' B' ' 31' ' ' LYS . 93.6 mt-10 -64.12 -52.13 60.64 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.261 -178.092 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 2.0 pp -60.41 -36.37 77.98 Favored 'General case' 0 CA--C 1.499 -1.004 0 C-N-CA 119.236 -0.986 . . . . 0.0 110.759 -179.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 10.7 tptm -55.83 -36.32 67.36 Favored 'General case' 0 N--CA 1.432 -1.338 0 C-N-CA 117.723 -1.591 . . . . 0.0 107.984 178.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.76 ' O ' HG23 ' B' ' 39' ' ' THR . 96.8 mt-10 -75.25 -40.46 58.93 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 112.754 0.649 . . . . 0.0 112.754 179.281 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.746 HD23 ' O ' ' B' ' 36' ' ' LEU . 3.0 tt -65.54 -46.06 81.03 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 120.328 -0.549 . . . . 0.0 111.495 -177.364 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.581 ' O ' ' N ' ' B' ' 41' ' ' LEU . 1.2 mm? -64.44 -41.94 96.28 Favored 'General case' 0 CA--C 1.52 -0.184 0 C-N-CA 118.881 -1.127 . . . . 0.0 110.762 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -64.05 -39.75 94.78 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 120.381 -0.528 . . . . 0.0 111.972 179.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.76 HG23 ' O ' ' B' ' 35' ' ' GLU . 70.1 p -71.09 -38.49 72.41 Favored 'General case' 0 N--CA 1.461 0.099 0 C-N-CA 119.979 -0.688 . . . . 0.0 111.585 -179.779 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -91.14 -50.75 5.67 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.689 -0.404 . . . . 0.0 112.008 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.602 HD22 ' OE2' ' A' ' 5' ' ' GLU . 29.3 mt -107.31 143.14 36.0 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.321 0.581 . . . . 0.0 111.617 -179.175 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.15 -66.47 1.08 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.193 178.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.34 -37.86 92.54 Favored Glycine 0 CA--C 1.533 1.179 0 CA-C-N 115.721 -0.672 . . . . 0.0 113.828 -179.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -60.01 -52.63 64.57 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 118.086 0.943 . . . . 0.0 112.199 -178.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -74.2 -40.99 62.11 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 120.307 -0.557 . . . . 0.0 111.088 178.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -61.26 -33.6 73.79 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.634 -0.712 . . . . 0.0 112.056 -179.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.57 -32.86 69.32 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -177.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 94.8 mm-40 -60.76 -33.79 73.48 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.143 -0.623 . . . . 0.0 109.85 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 37.6 tttp 71.14 -35.73 0.34 Allowed 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.482 -0.781 . . . . 0.0 112.191 179.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -70.28 142.64 52.25 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.218 -0.593 . . . . 0.0 111.177 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 4.7 m -72.63 -30.13 32.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.861 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -86.6 5.3 36.39 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.23 0.538 . . . . 0.0 110.084 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.624 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -56.59 -38.84 72.56 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.835 -178.693 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.601 HG13 ' N ' ' B' ' 55' ' ' ASP . 7.2 p -60.21 -43.78 94.04 Favored 'Isoleucine or valine' 0 C--O 1.242 0.704 0 C-N-CA 119.783 -0.767 . . . . 0.0 110.173 179.211 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.601 ' N ' HG13 ' B' ' 54' ' ' VAL . 91.7 m-20 -61.49 -43.27 99.16 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.043 179.379 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -62.62 -37.57 86.79 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.101 -0.64 . . . . 0.0 109.757 178.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.624 HG23 ' O ' ' B' ' 53' ' ' ALA . 68.2 t -64.16 -45.77 95.44 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 CA-C-N 115.738 -0.665 . . . . 0.0 112.745 -178.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.496 ' CE ' ' O ' ' B' ' 67' ' ' GLY . 2.2 ptp -66.57 -33.68 76.2 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 118.821 -1.152 . . . . 0.0 113.162 -178.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 35.7 mmtt -59.28 -42.01 90.25 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 119.357 -0.937 . . . . 0.0 112.047 -178.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -66.19 -41.42 90.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.486 0.66 . . . . 0.0 110.887 179.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.44 ' O ' ' CD ' ' B' ' 73' ' ' GLU . 78.4 mt -68.8 -32.2 71.75 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.869 -1.06 . . . . 0.0 112.701 -179.328 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.604 ' OD2' ' N ' ' B' ' 66' ' ' ASP . 50.8 t0 -74.24 94.11 2.44 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 113.087 0.773 . . . . 0.0 113.087 -175.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 78.7 tt0 -65.76 -46.9 77.07 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-O 122.645 1.212 . . . . 0.0 110.505 175.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 31.5 m120 -59.38 -35.33 73.71 Favored 'General case' 0 C--N 1.305 -1.361 0 CA-C-N 112.513 -2.13 . . . . 0.0 112.298 -178.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.501 ' H ' ' CG ' ' B' ' 62' ' ' ASP . . . 86.08 14.9 65.91 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 108.975 -1.65 . . . . 0.0 108.975 -177.683 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.604 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 27.0 p-10 -87.61 6.45 34.5 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 115.151 -0.524 . . . . 0.0 112.358 -179.088 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.498 ' N ' ' OD2' ' B' ' 62' ' ' ASP . . . 64.82 -2.51 2.6 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.091 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.463 ' H ' ' C ' ' B' ' 66' ' ' ASP . 82.5 tt0 -112.79 144.28 42.6 Favored 'General case' 0 C--O 1.24 0.566 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 46.1 t -102.4 133.0 47.29 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.717 0 C-N-CA 120.622 -0.431 . . . . 0.0 111.22 -176.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.493 ' C ' ' OD1' ' B' ' 70' ' ' ASP . 39.5 p30 -100.16 171.61 7.7 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 121.251 0.548 . . . . 0.0 110.353 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -54.49 -45.49 73.26 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.7 -178.494 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -61.86 -41.2 97.55 Favored 'General case' 0 C--O 1.244 0.8 0 C-N-CA 120.084 -0.646 . . . . 0.0 112.099 -179.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.44 ' CD ' ' O ' ' B' ' 61' ' ' LEU . 96.7 mt-10 -64.88 -41.55 95.54 Favored 'General case' 0 C--O 1.242 0.697 0 CA-C-O 122.092 0.949 . . . . 0.0 109.864 179.226 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -63.45 -41.27 98.65 Favored 'General case' 0 C--O 1.242 0.694 0 CA-C-O 122.219 1.009 . . . . 0.0 110.265 178.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.617 HG13 ' HB1' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -60.18 -47.64 91.29 Favored 'Isoleucine or valine' 0 C--O 1.249 1.037 0 CA-C-N 113.858 -1.519 . . . . 0.0 110.047 -179.055 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.44 HG22 ' O ' ' B' ' 73' ' ' GLU . 13.4 m -67.75 -34.42 67.59 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 C-N-CA 117.835 -1.546 . . . . 0.0 109.29 178.716 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.559 ' O ' HD13 ' B' ' 81' ' ' LEU . 32.5 tp -56.68 -50.76 71.18 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 118.62 -1.232 . . . . 0.0 111.638 178.061 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 35.2 m -68.5 -36.54 75.17 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 C-N-CA 118.359 -1.336 . . . . 0.0 111.746 -179.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.712 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . . . -68.49 -48.23 64.99 Favored 'General case' 0 C--O 1.251 1.169 0 C-N-CA 119.092 -1.043 . . . . 0.0 111.914 -179.401 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.81 -39.81 95.42 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.597 -0.728 . . . . 0.0 109.042 179.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.559 HD13 ' O ' ' B' ' 77' ' ' LEU . 9.2 mp -65.24 -35.3 80.61 Favored 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 119.272 -0.971 . . . . 0.0 109.963 176.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 35.6 m -62.31 -50.57 71.13 Favored 'General case' 0 C--O 1.249 1.045 0 C-N-CA 119.634 -0.826 . . . . 0.0 111.343 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 13.6 p -63.58 -38.23 81.69 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 C-N-CA 119.188 -1.005 . . . . 0.0 110.536 178.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.46 -31.34 72.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.273 178.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 4.8 t -69.97 -55.05 10.62 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.87 -179.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.543 ' ND2' HG23 ' A' ' 12' ' ' ILE . 53.9 t-20 -56.84 -40.82 76.76 Favored 'General case' 0 C--O 1.241 0.646 0 C-N-CA 117.923 -1.511 . . . . 0.0 109.007 179.343 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . 0.605 ' ND2' ' OE1' ' B' ' 91' ' ' GLU . 8.4 t-20 -60.54 -37.73 82.17 Favored 'General case' 0 C--O 1.201 -1.464 0 N-CA-C 107.75 -1.204 . . . . 0.0 107.75 178.251 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.514 ' O ' ' O ' ' B' ' 91' ' ' GLU . 67.3 t80 -60.17 -41.7 93.41 Favored 'General case' 0 C--N 1.313 -0.985 0 C-N-CA 118.783 -1.167 . . . . 0.0 109.49 179.441 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -65.87 -59.66 3.64 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 112.897 0.703 . . . . 0.0 112.897 -178.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 90' ' ' TRP . . . . . 0.595 ' CE3' ' OH ' ' A' ' 26' ' ' TYR . 20.3 t-105 -69.47 -46.19 67.26 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-O 121.774 0.797 . . . . 0.0 111.601 179.651 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . 0.605 ' OE1' ' ND2' ' B' ' 87' ' ' ASN . 36.4 mt-10 . . . . . 0 C--N 1.317 -0.842 0 CA-C-N 114.151 -1.386 . . . . 0.0 111.184 179.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 . . . . . 0 C--O 1.233 0.207 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.629 HD23 ' O ' ' A' ' 4' ' ' LEU . 5.3 tt -63.65 -41.98 98.15 Favored 'General case' 0 C--O 1.24 0.556 0 C-N-CA 119.299 -0.96 . . . . 0.0 108.681 -179.304 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.445 ' C ' ' OE1' ' A' ' 5' ' ' GLU . 6.1 tm-20 -63.87 -40.0 95.52 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 114.698 -1.137 . . . . 0.0 109.267 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 44.5 m -60.27 -40.44 90.38 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.305 178.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.43 -44.13 95.43 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.04 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 98.8 mtp -59.34 -40.69 87.2 Favored 'General case' 0 C--O 1.248 1.007 0 CA-C-O 121.732 0.777 . . . . 0.0 109.288 178.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -64.82 -35.91 82.63 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.048 177.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 50.9 m -64.22 -43.21 95.66 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 119.779 -0.769 . . . . 0.0 110.167 179.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 38.0 mt -62.04 -42.65 99.4 Favored 'General case' 0 C--O 1.243 0.714 0 C-N-CA 119.243 -0.983 . . . . 0.0 109.058 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.561 HG23 ' ND2' ' B' ' 86' ' ' ASN . 97.8 mt -61.99 -45.93 97.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.428 178.596 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -61.98 -41.18 97.74 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 -178.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.8 m -73.31 -41.33 57.61 Favored 'Isoleucine or valine' 0 C--O 1.255 1.355 0 C-N-CA 119.2 -1.0 . . . . 0.0 111.398 -179.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -59.94 -47.5 85.52 Favored 'General case' 0 CA--C 1.512 -0.487 0 C-N-CA 118.962 -1.095 . . . . 0.0 109.768 177.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -63.31 -35.46 80.43 Favored 'General case' 0 CA--C 1.503 -0.857 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.86 178.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.551 ' O ' ' HB2' ' A' ' 21' ' ' LYS . . . -57.2 -51.57 68.8 Favored 'General case' 0 N--CA 1.436 -1.142 0 C-N-CA 118.962 -1.095 . . . . 0.0 109.602 -178.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.47 ' HB2' HD12 ' A' ' 36' ' ' LEU . 46.2 m80 -79.22 -52.3 8.33 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 114.754 1.39 . . . . 0.0 114.754 -179.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' A' ' 24' ' ' ASP . 23.1 t -58.34 -40.95 83.51 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 118.864 -1.135 . . . . 0.0 109.184 -179.069 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -71.81 -43.95 49.07 Favored Glycine 0 C--N 1.344 0.979 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.433 178.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.551 ' HB2' ' O ' ' A' ' 17' ' ' ALA . 6.8 ttpm? -58.78 -44.26 90.64 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 120.046 -0.661 . . . . 0.0 112.069 -179.68 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.54 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 84.7 tt0 -135.86 140.47 44.18 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.369 -0.532 . . . . 0.0 111.128 -179.571 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.88 -162.92 52.13 Favored Glycine 0 CA--C 1.521 0.416 0 C-N-CA 120.799 -0.715 . . . . 0.0 111.341 178.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.4 ' O ' ' OG ' ' A' ' 19' ' ' SER . 88.3 m-20 -67.4 141.79 56.93 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 178.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.499 ' HZ1' ' HH2' ' B' ' 90' ' ' TRP . 32.2 mtmt -60.56 -32.22 71.29 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.075 -0.511 . . . . 0.0 112.201 -177.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.6 ' OH ' ' CD2' ' B' ' 90' ' ' TRP . 96.9 m-85 -107.23 19.13 20.78 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 -177.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.3 tptt -137.84 138.15 38.85 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 118.956 -1.098 . . . . 0.0 108.988 178.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.0 tp -113.66 126.28 55.08 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 -178.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 87.3 p -98.24 167.63 10.74 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.74 -0.209 . . . . 0.0 110.975 -179.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.8 ttpt -53.27 -49.28 67.25 Favored 'General case' 0 C--O 1.241 0.645 0 CA-C-O 121.121 0.486 . . . . 0.0 112.263 -178.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.586 ' HG3' ' N ' ' A' ' 32' ' ' GLU . 23.9 pttm -61.48 -48.01 83.06 Favored 'General case' 0 N--CA 1.441 -0.896 0 C-N-CA 120.053 -0.659 . . . . 0.0 110.372 -178.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.586 ' N ' ' HG3' ' A' ' 31' ' ' LYS . 94.4 mt-10 -62.69 -49.8 73.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.808 -0.633 . . . . 0.0 112.06 -178.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 pp -61.11 -36.68 80.37 Favored 'General case' 0 CA--C 1.499 -1.001 0 C-N-CA 118.673 -1.211 . . . . 0.0 110.095 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.81 ' HZ1' HE21 ' A' ' 38' ' ' GLN . 15.6 tptp -56.0 -36.41 67.89 Favored 'General case' 0 N--CA 1.434 -1.226 0 C-N-CA 118.058 -1.457 . . . . 0.0 108.073 178.389 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.856 ' O ' HG23 ' A' ' 39' ' ' THR . 97.4 mt-10 -73.84 -40.04 63.59 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 112.697 0.628 . . . . 0.0 112.697 179.205 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.755 HD23 ' O ' ' A' ' 36' ' ' LEU . 3.8 tt -65.9 -45.36 82.24 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 119.849 -0.74 . . . . 0.0 111.325 -177.268 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.569 ' O ' ' O ' ' A' ' 41' ' ' LEU . 1.2 mm? -64.48 -43.13 95.15 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 118.76 -1.176 . . . . 0.0 110.937 179.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.81 HE21 ' HZ1' ' A' ' 34' ' ' LYS . 97.8 mt-30 -63.48 -39.32 94.15 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.349 -0.54 . . . . 0.0 111.592 179.461 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.856 HG23 ' O ' ' A' ' 35' ' ' GLU . 66.3 p -71.84 -33.08 68.16 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.726 -0.39 . . . . 0.0 111.558 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -101.65 -60.01 1.6 Allowed 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 -178.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.569 ' O ' ' O ' ' A' ' 37' ' ' LEU . 53.2 mt -99.56 140.73 33.33 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.258 0.552 . . . . 0.0 111.71 -178.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -110.72 -60.95 1.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.708 179.52 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.8 -39.52 93.88 Favored Glycine 0 CA--C 1.532 1.107 0 CA-C-N 115.823 -0.626 . . . . 0.0 114.397 -177.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -61.54 -52.27 65.16 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 118.124 0.962 . . . . 0.0 112.534 -177.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -73.04 -38.92 66.35 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.292 -0.563 . . . . 0.0 111.55 178.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 57.0 t0 -60.46 -30.73 69.85 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.554 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.55 -29.74 62.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 112.098 -177.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 90.4 mm-40 -91.41 117.89 30.07 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 119.503 -0.879 . . . . 0.0 110.038 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -63.49 -36.28 83.25 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 -179.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -69.89 142.31 53.02 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -177.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.3 m -73.93 -26.93 21.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.223 178.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -79.75 1.51 26.39 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.18 -0.918 . . . . 0.0 109.612 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.496 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -56.95 -36.72 70.6 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.832 -179.409 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.613 HG13 ' N ' ' A' ' 55' ' ' ASP . 7.7 p -59.75 -44.07 93.02 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 C-N-CA 119.965 -0.694 . . . . 0.0 109.877 178.672 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.613 ' N ' HG13 ' A' ' 54' ' ' VAL . 90.6 m-20 -61.45 -42.3 98.55 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.443 179.133 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 69.2 mttm -60.81 -38.73 86.4 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.003 179.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 53' ' ' ALA . 78.2 t -65.11 -44.69 95.56 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.341 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.537 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -69.99 -32.92 71.36 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 114.457 1.28 . . . . 0.0 114.457 -178.642 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 17.0 mtmm -58.41 -41.17 84.36 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 119.714 -0.794 . . . . 0.0 113.064 -177.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -72.35 -35.09 68.45 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 119.657 -0.817 . . . . 0.0 110.501 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.468 ' O ' ' CD ' ' A' ' 73' ' ' GLU . 93.0 mt -67.42 -35.08 78.54 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-N 115.78 -0.645 . . . . 0.0 112.567 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.502 ' OD1' ' OD1' ' A' ' 66' ' ' ASP . 47.3 t0 -73.19 90.72 1.6 Allowed 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 118.406 -1.317 . . . . 0.0 111.368 -177.516 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -65.31 -47.52 76.27 Favored 'General case' 0 CA--C 1.509 -0.598 0 CA-C-O 122.676 1.226 . . . . 0.0 111.476 176.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 31.8 m120 -59.61 -34.74 73.15 Favored 'General case' 0 C--N 1.3 -1.564 0 CA-C-N 112.53 -2.123 . . . . 0.0 112.999 -178.126 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 89.19 3.88 75.19 Favored Glycine 0 CA--C 1.529 0.922 0 N-CA-C 107.994 -2.042 . . . . 0.0 107.994 -176.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.638 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 50.1 p30 -61.79 -31.98 72.23 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 113.858 -1.171 . . . . 0.0 112.967 -179.687 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.638 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 99.35 -4.52 58.48 Favored Glycine 0 CA--C 1.521 0.438 0 N-CA-C 109.026 -1.63 . . . . 0.0 109.026 -178.175 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.515 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 55.8 mp0 -112.85 154.84 25.67 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-N 114.493 -0.853 . . . . 0.0 110.908 178.096 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 46.8 t -106.83 131.2 57.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 177.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.501 ' C ' ' OD1' ' A' ' 70' ' ' ASP . 24.8 p30 -101.54 171.23 7.69 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 119.842 -0.743 . . . . 0.0 110.565 -178.685 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -53.48 -44.92 69.37 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.094 -178.508 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -62.1 -40.94 97.55 Favored 'General case' 0 C--O 1.241 0.637 0 C-N-CA 120.379 -0.528 . . . . 0.0 112.203 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.468 ' CD ' ' O ' ' A' ' 61' ' ' LEU . 92.4 mt-10 -65.04 -41.44 95.21 Favored 'General case' 0 C--O 1.241 0.611 0 CA-C-O 122.2 1.0 . . . . 0.0 109.658 179.538 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -63.51 -41.45 98.51 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-N 114.68 -1.145 . . . . 0.0 109.985 178.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.607 HG13 ' HB1' ' B' ' 79' ' ' ALA . 0.5 OUTLIER -60.31 -47.79 90.88 Favored 'Isoleucine or valine' 0 C--O 1.247 0.925 0 CA-C-N 113.813 -1.54 . . . . 0.0 110.236 -178.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.429 HG22 ' O ' ' A' ' 73' ' ' GLU . 13.4 m -68.15 -34.07 64.44 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 C-N-CA 118.021 -1.472 . . . . 0.0 109.229 178.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.73 ' O ' HD13 ' A' ' 81' ' ' LEU . 23.9 tp -57.16 -51.09 70.7 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 118.819 -1.152 . . . . 0.0 111.391 178.514 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.411 ' O ' ' OG1' ' A' ' 82' ' ' THR . 34.3 m -68.79 -36.44 74.27 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 C-N-CA 118.6 -1.24 . . . . 0.0 111.781 -179.272 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.706 ' HB2' ' HB2' ' B' ' 79' ' ' ALA . . . -68.47 -49.21 61.45 Favored 'General case' 0 C--O 1.251 1.136 0 C-N-CA 119.113 -1.035 . . . . 0.0 111.882 -179.22 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.01 -38.95 93.23 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 179.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.73 HD13 ' O ' ' A' ' 77' ' ' LEU . 10.3 mp -65.57 -34.36 78.07 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 119.152 -1.019 . . . . 0.0 109.713 176.671 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 34.5 m -62.68 -50.56 70.68 Favored 'General case' 0 C--O 1.247 0.934 0 C-N-CA 119.9 -0.72 . . . . 0.0 111.127 179.738 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.4 p -64.06 -39.8 86.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 119.14 -1.024 . . . . 0.0 110.986 179.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.91 -30.17 70.72 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 121.044 0.45 . . . . 0.0 110.064 178.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 24.3 t -68.48 -55.41 11.86 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.821 -179.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.564 ' ND2' HG23 ' B' ' 12' ' ' ILE . 53.9 t-20 -56.96 -40.61 76.8 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 118.375 -1.33 . . . . 0.0 108.765 179.184 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -59.07 -38.49 79.57 Favored 'General case' 0 CA--C 1.522 -0.124 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.792 178.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.546 ' O ' ' O ' ' A' ' 91' ' ' GLU . 67.7 t80 -63.89 -45.87 87.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.312 179.678 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -64.42 -51.65 62.08 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.402 -0.519 . . . . 0.0 111.857 -178.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.591 ' CD2' ' OH ' ' B' ' 26' ' ' TYR . 22.2 t-105 -65.59 -39.81 92.02 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-O 121.216 0.531 . . . . 0.0 112.113 179.504 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.546 ' O ' ' O ' ' A' ' 88' ' ' PHE . 3.7 tm-20 . . . . . 0 C--N 1.321 -0.635 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.835 -176.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 . . . . . 0 C--O 1.234 0.256 0 N-CA-C 112.408 0.522 . . . . 0.0 112.408 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.622 HD23 ' O ' ' B' ' 4' ' ' LEU . 5.3 tt -63.57 -42.04 98.35 Favored 'General case' 0 C--O 1.24 0.575 0 C-N-CA 119.388 -0.925 . . . . 0.0 108.714 -179.358 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . 0.454 ' OE1' ' C ' ' B' ' 5' ' ' GLU . 6.1 tm-20 -63.85 -39.96 95.46 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 114.654 -1.157 . . . . 0.0 109.23 179.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 45.7 m -60.51 -40.14 90.33 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.284 178.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.68 -44.09 94.75 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.063 179.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 98.7 mtp -59.25 -40.83 87.21 Favored 'General case' 0 C--O 1.248 0.978 0 CA-C-O 121.713 0.768 . . . . 0.0 109.33 178.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -64.79 -36.46 84.38 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.272 -0.876 . . . . 0.0 109.981 178.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 48.3 m -63.49 -43.5 97.09 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 119.814 -0.754 . . . . 0.0 110.347 179.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 43.1 mt -62.03 -42.55 99.3 Favored 'General case' 0 C--O 1.242 0.661 0 C-N-CA 119.3 -0.96 . . . . 0.0 109.074 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.564 HG23 ' ND2' ' A' ' 86' ' ' ASN . 97.9 mt -61.92 -45.97 97.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.395 -0.821 . . . . 0.0 111.424 178.556 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -62.0 -41.27 97.87 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 -178.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 14.9 m -73.22 -41.37 58.19 Favored 'Isoleucine or valine' 0 C--O 1.256 1.423 0 C-N-CA 119.144 -1.023 . . . . 0.0 111.419 -179.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -59.9 -47.49 85.56 Favored 'General case' 0 CA--C 1.512 -0.488 0 C-N-CA 118.929 -1.108 . . . . 0.0 109.867 177.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -63.19 -35.54 80.65 Favored 'General case' 0 CA--C 1.503 -0.846 0 CA-C-N 115.241 -0.89 . . . . 0.0 109.798 178.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.558 ' O ' ' HB2' ' B' ' 21' ' ' LYS . . . -57.27 -51.47 69.23 Favored 'General case' 0 N--CA 1.437 -1.118 0 C-N-CA 118.875 -1.13 . . . . 0.0 109.641 -178.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.505 ' HB2' HD12 ' B' ' 36' ' ' LEU . 46.0 m80 -79.07 -52.51 8.11 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 114.737 1.384 . . . . 0.0 114.737 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.411 ' OG ' ' O ' ' B' ' 25' ' ' LYS . 23.1 t -58.23 -41.05 83.26 Favored 'General case' 0 C--N 1.34 0.169 0 C-N-CA 118.827 -1.149 . . . . 0.0 109.276 -179.072 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -71.7 -44.04 49.82 Favored Glycine 0 C--N 1.344 0.977 0 CA-C-N 115.497 -0.774 . . . . 0.0 112.461 178.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . 0.558 ' HB2' ' O ' ' B' ' 17' ' ' ALA . 6.8 ttpm? -58.79 -44.2 90.65 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 120.015 -0.674 . . . . 0.0 112.086 -179.654 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.533 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 84.7 tt0 -135.84 140.57 44.29 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.279 -0.568 . . . . 0.0 111.086 -179.579 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.83 -162.9 52.17 Favored Glycine 0 CA--C 1.521 0.428 0 C-N-CA 120.823 -0.703 . . . . 0.0 111.399 178.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -67.39 141.74 56.96 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 178.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.412 ' HZ1' ' HH2' ' A' ' 90' ' ' TRP . 32.3 mtmt -60.58 -32.18 71.29 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.105 -0.498 . . . . 0.0 112.194 -177.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.591 ' OH ' ' CD2' ' A' ' 90' ' ' TRP . 96.9 m-85 -107.22 19.18 20.72 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 -177.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 28.5 tptt -137.85 138.11 38.8 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 118.943 -1.103 . . . . 0.0 109.032 178.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 14.0 tp -113.55 126.28 55.12 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 -178.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 87.2 p -98.29 167.59 10.76 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.507 0.194 . . . . 0.0 110.898 -179.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 24.8 ttpt -53.21 -49.29 67.05 Favored 'General case' 0 C--O 1.241 0.632 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -178.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.58 ' HG3' ' N ' ' B' ' 32' ' ' GLU . 23.7 pttm -61.55 -48.03 82.86 Favored 'General case' 0 N--CA 1.441 -0.878 0 C-N-CA 120.102 -0.639 . . . . 0.0 110.262 -178.697 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.58 ' N ' ' HG3' ' B' ' 31' ' ' LYS . 94.4 mt-10 -62.64 -49.8 73.73 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.165 -0.614 . . . . 0.0 111.985 -178.628 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 pp -61.19 -36.64 80.42 Favored 'General case' 0 CA--C 1.499 -0.983 0 C-N-CA 118.673 -1.211 . . . . 0.0 110.066 -179.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.766 ' NZ ' HE21 ' B' ' 38' ' ' GLN . 15.6 tptp -56.02 -36.33 67.84 Favored 'General case' 0 N--CA 1.435 -1.196 0 C-N-CA 118.083 -1.447 . . . . 0.0 108.074 178.421 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.877 ' O ' HG23 ' B' ' 39' ' ' THR . 97.4 mt-10 -73.96 -39.95 63.38 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 179.177 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.746 HD23 ' O ' ' B' ' 36' ' ' LEU . 3.9 tt -65.87 -45.38 82.31 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 119.809 -0.756 . . . . 0.0 111.314 -177.308 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.563 ' O ' ' O ' ' B' ' 41' ' ' LEU . 1.2 mm? -64.53 -43.07 95.17 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 118.682 -1.207 . . . . 0.0 110.942 179.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.766 HE21 ' NZ ' ' B' ' 34' ' ' LYS . 97.7 mt-30 -63.46 -39.23 93.9 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 120.316 -0.554 . . . . 0.0 111.678 179.432 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.877 HG23 ' O ' ' B' ' 35' ' ' GLU . 67.7 p -71.91 -33.09 68.02 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.686 -0.405 . . . . 0.0 111.574 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -101.65 -59.99 1.61 Allowed 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 -178.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.563 ' O ' ' O ' ' B' ' 37' ' ' LEU . 53.3 mt -99.55 140.78 33.24 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.317 0.58 . . . . 0.0 111.798 -178.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -110.82 -60.95 1.75 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.679 179.614 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.86 -39.45 93.93 Favored Glycine 0 CA--C 1.531 1.04 0 CA-C-N 115.886 -0.597 . . . . 0.0 114.426 -177.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -61.57 -52.23 65.28 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 118.16 0.98 . . . . 0.0 112.539 -178.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -73.06 -38.88 66.3 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.321 -0.552 . . . . 0.0 111.544 178.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -60.54 -30.73 69.94 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.587 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.46 -29.83 62.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.061 -0.518 . . . . 0.0 112.137 -177.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -91.38 118.04 30.19 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 119.453 -0.899 . . . . 0.0 110.023 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -63.59 -36.25 83.19 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 113.796 1.035 . . . . 0.0 113.796 -179.052 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -69.86 142.31 53.07 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -177.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 4.4 m -73.94 -26.88 21.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.228 178.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -79.82 1.52 26.57 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.531 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.492 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -56.95 -36.74 70.63 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.9 -179.399 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.624 HG13 ' N ' ' B' ' 55' ' ' ASP . 7.8 p -59.7 -43.96 92.58 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 C-N-CA 119.873 -0.731 . . . . 0.0 109.96 178.625 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.624 ' N ' HG13 ' B' ' 54' ' ' VAL . 90.7 m-20 -61.57 -42.25 98.57 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.479 179.138 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -60.85 -38.64 86.21 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.028 179.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.492 HG23 ' O ' ' B' ' 53' ' ' ALA . 77.9 t -65.17 -44.71 95.33 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.319 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.514 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -69.96 -32.94 71.44 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 -178.639 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 17.0 mtmm -58.49 -41.13 84.61 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 119.768 -0.773 . . . . 0.0 113.026 -177.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -72.35 -35.09 68.44 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 119.616 -0.834 . . . . 0.0 110.493 179.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.465 ' O ' ' CD ' ' B' ' 73' ' ' GLU . 92.8 mt -67.38 -35.12 78.69 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.602 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.509 ' OD1' ' OD1' ' B' ' 66' ' ' ASP . 47.1 t0 -73.09 90.64 1.55 Allowed 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 118.412 -1.315 . . . . 0.0 111.393 -177.531 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -65.37 -47.47 76.3 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 122.59 1.186 . . . . 0.0 111.415 176.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 31.8 m120 -59.65 -34.68 73.13 Favored 'General case' 0 C--N 1.3 -1.587 0 CA-C-N 112.565 -2.107 . . . . 0.0 113.036 -178.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 89.25 3.73 75.22 Favored Glycine 0 CA--C 1.528 0.896 0 N-CA-C 108.003 -2.039 . . . . 0.0 108.003 -176.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.65 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 50.1 p30 -61.74 -31.96 72.17 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 113.85 -1.175 . . . . 0.0 113.041 -179.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.65 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 99.51 -4.71 58.32 Favored Glycine 0 CA--C 1.521 0.442 0 N-CA-C 109.004 -1.638 . . . . 0.0 109.004 -178.189 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.489 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 55.8 mp0 -112.86 154.72 25.87 Favored 'General case' 0 C--O 1.241 0.613 0 CA-C-N 114.531 -0.835 . . . . 0.0 110.965 178.208 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 46.6 t -106.69 131.19 57.16 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 177.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.494 ' C ' ' OD1' ' B' ' 70' ' ' ASP . 25.5 p30 -101.34 171.21 7.73 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 119.836 -0.746 . . . . 0.0 110.601 -178.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -53.6 -44.77 69.69 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.09 -178.597 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -62.13 -41.05 97.88 Favored 'General case' 0 C--O 1.242 0.669 0 C-N-CA 120.401 -0.52 . . . . 0.0 112.235 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.465 ' CD ' ' O ' ' B' ' 61' ' ' LEU . 92.4 mt-10 -64.95 -41.45 95.49 Favored 'General case' 0 C--O 1.24 0.565 0 CA-C-O 122.253 1.025 . . . . 0.0 109.671 179.529 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 59.7 t80 -63.49 -41.41 98.55 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-N 114.666 -1.152 . . . . 0.0 110.015 178.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.606 HG13 ' HB1' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -60.31 -47.84 90.7 Favored 'Isoleucine or valine' 0 C--O 1.247 0.931 0 CA-C-N 113.766 -1.561 . . . . 0.0 110.245 -178.924 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.418 HG22 ' O ' ' B' ' 73' ' ' GLU . 13.1 m -68.04 -34.17 65.33 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 C-N-CA 118.024 -1.47 . . . . 0.0 109.273 178.721 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.738 ' O ' HD13 ' B' ' 81' ' ' LEU . 23.8 tp -57.08 -51.14 70.47 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 118.793 -1.163 . . . . 0.0 111.456 178.537 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 34.3 m -68.77 -36.37 73.99 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 C-N-CA 118.557 -1.257 . . . . 0.0 111.822 -179.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.706 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . . . -68.44 -49.24 61.36 Favored 'General case' 0 C--O 1.251 1.144 0 C-N-CA 119.121 -1.032 . . . . 0.0 111.935 -179.279 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.01 -38.85 92.83 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.738 HD13 ' O ' ' B' ' 77' ' ' LEU . 10.2 mp -65.59 -34.5 78.39 Favored 'General case' 0 C--O 1.217 -0.655 0 C-N-CA 119.154 -1.018 . . . . 0.0 109.67 176.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 34.2 m -62.59 -50.53 70.91 Favored 'General case' 0 C--O 1.246 0.896 0 C-N-CA 119.872 -0.731 . . . . 0.0 111.075 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 13.2 p -64.11 -39.7 86.43 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 119.135 -1.026 . . . . 0.0 111.029 179.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.95 -30.18 70.71 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.062 178.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 24.0 t -68.43 -55.47 11.78 Favored 'General case' 0 CA--C 1.509 -0.608 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.836 -179.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.561 ' ND2' HG23 ' A' ' 12' ' ' ILE . 53.9 t-20 -56.96 -40.62 76.8 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 118.362 -1.335 . . . . 0.0 108.725 179.204 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -59.18 -38.29 79.43 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.805 178.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.545 ' O ' ' O ' ' B' ' 91' ' ' GLU . 67.8 t80 -63.93 -45.91 87.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.289 179.6 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -64.39 -51.75 61.66 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.416 -0.514 . . . . 0.0 111.773 -178.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 90' ' ' TRP . . . . . 0.6 ' CD2' ' OH ' ' A' ' 26' ' ' TYR . 21.9 t-105 -65.61 -39.68 91.78 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-O 121.181 0.515 . . . . 0.0 112.142 179.572 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . 0.545 ' O ' ' O ' ' B' ' 88' ' ' PHE . 3.7 tm-20 . . . . . 0 C--N 1.322 -0.618 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.86 -176.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 78.1 tt0 . . . . . 0 C--O 1.245 0.843 0 CA-C-O 120.871 0.367 . . . . 0.0 111.847 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.496 HD23 ' O ' ' A' ' 4' ' ' LEU . 6.3 tt -54.55 -41.2 69.5 Favored 'General case' 0 C--O 1.242 0.683 0 N-CA-C 107.713 -1.217 . . . . 0.0 107.713 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.6 ' OE2' HD22 ' B' ' 41' ' ' LEU . 71.7 mm-40 -64.38 -35.72 81.82 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.349 177.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 43.6 m -58.24 -42.1 85.62 Favored 'General case' 0 C--O 1.238 0.481 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 178.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.18 -44.22 92.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.576 178.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 99.2 mtp -59.38 -41.19 88.76 Favored 'General case' 0 C--O 1.249 1.078 0 CA-C-O 121.816 0.817 . . . . 0.0 109.621 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -64.76 -35.55 81.45 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-N 115.133 -0.94 . . . . 0.0 109.459 177.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 55.3 m -63.34 -43.44 97.72 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 119.2 -1.0 . . . . 0.0 110.39 179.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 38.2 mt -61.03 -42.56 98.71 Favored 'General case' 0 C--O 1.241 0.632 0 C-N-CA 119.101 -1.04 . . . . 0.0 108.459 -179.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.9 mt -61.12 -45.55 98.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.261 178.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -62.49 -41.52 98.86 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 113.237 0.828 . . . . 0.0 113.237 -178.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.424 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 14.4 m -73.54 -41.99 55.91 Favored 'Isoleucine or valine' 0 C--O 1.26 1.618 0 C-N-CA 119.195 -1.002 . . . . 0.0 110.822 -179.448 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -60.63 -46.59 89.71 Favored 'General case' 0 CA--C 1.509 -0.613 0 C-N-CA 119.39 -0.924 . . . . 0.0 109.381 177.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -62.04 -36.42 81.56 Favored 'General case' 0 CA--C 1.503 -0.853 0 CA-C-N 114.997 -1.001 . . . . 0.0 109.756 178.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.552 ' O ' ' HB2' ' A' ' 21' ' ' LYS . . . -57.39 -51.27 70.08 Favored 'General case' 0 N--CA 1.435 -1.206 0 C-N-CA 119.065 -1.054 . . . . 0.0 109.598 -178.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.481 ' HB2' HD12 ' A' ' 36' ' ' LEU . 30.4 m80 -79.27 -52.58 7.94 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 114.809 1.411 . . . . 0.0 114.809 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.479 ' OG ' ' O ' ' A' ' 24' ' ' ASP . 20.0 t -58.31 -40.19 81.39 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 119.319 -0.952 . . . . 0.0 109.498 -178.733 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.17 -44.96 27.28 Favored Glycine 0 C--N 1.345 1.07 0 CA-C-N 115.847 -0.615 . . . . 0.0 112.468 178.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.552 ' HB2' ' O ' ' A' ' 17' ' ' ALA . 6.7 ttpm? -58.18 -44.07 87.83 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 120.183 -0.607 . . . . 0.0 111.802 -179.64 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.535 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 84.7 tt0 -133.33 137.06 45.76 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.204 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.57 -164.16 53.97 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 178.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.479 ' O ' ' OG ' ' A' ' 19' ' ' SER . 88.3 m-20 -70.08 142.97 52.57 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 178.62 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.451 ' C ' ' OG ' ' A' ' 19' ' ' SER . 51.0 mttm -60.54 -32.95 71.98 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.82 0.819 . . . . 0.0 110.344 -178.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.595 ' OH ' ' CE3' ' B' ' 90' ' ' TRP . 97.9 m-85 -102.71 15.9 27.99 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 114.666 -1.152 . . . . 0.0 112.939 -175.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.575 ' NZ ' ' OD2' ' A' ' 66' ' ' ASP . 5.1 tptt -140.8 138.39 34.03 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 118.948 -1.101 . . . . 0.0 109.39 178.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.3 tp -113.43 129.55 56.52 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 -178.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.4 t -102.11 159.59 15.25 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.662 -0.245 . . . . 0.0 110.456 -179.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.9 ttpt -52.35 -46.78 66.27 Favored 'General case' 0 C--O 1.239 0.541 0 C-N-CA 120.439 -0.504 . . . . 0.0 111.231 -178.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.581 ' HG3' ' N ' ' A' ' 32' ' ' GLU . 21.7 pttm -60.36 -48.25 82.55 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.116 -178.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.581 ' N ' ' HG3' ' A' ' 31' ' ' LYS . 94.7 mt-10 -62.97 -48.48 78.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.031 -178.653 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 pp -62.25 -34.3 76.26 Favored 'General case' 0 CA--C 1.497 -1.082 0 C-N-CA 118.699 -1.2 . . . . 0.0 110.368 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.728 ' NZ ' HE22 ' A' ' 38' ' ' GLN . 0.8 OUTLIER -54.92 -36.67 65.5 Favored 'General case' 0 N--CA 1.435 -1.211 0 C-N-CA 117.743 -1.583 . . . . 0.0 107.583 178.25 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.857 ' O ' HG23 ' A' ' 39' ' ' THR . 97.2 mt-10 -75.62 -41.31 54.66 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 178.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.75 HD23 ' O ' ' A' ' 36' ' ' LEU . 2.4 tt -66.19 -46.77 76.13 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 120.097 -0.641 . . . . 0.0 111.879 -176.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.583 ' CD2' ' N ' ' A' ' 37' ' ' LEU . 1.2 mm? -65.01 -41.75 95.06 Favored 'General case' 0 CA--C 1.52 -0.206 0 C-N-CA 118.611 -1.235 . . . . 0.0 110.872 -179.657 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.728 HE22 ' NZ ' ' A' ' 34' ' ' LYS . 95.8 mt-30 -64.34 -39.78 94.56 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.418 -0.513 . . . . 0.0 111.924 179.425 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.857 HG23 ' O ' ' A' ' 35' ' ' GLU . 63.9 p -70.97 -39.24 72.64 Favored 'General case' 0 C--N 1.334 -0.105 0 C-N-CA 120.215 -0.594 . . . . 0.0 111.568 -179.659 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -90.87 -48.98 6.69 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.69 -0.404 . . . . 0.0 111.908 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.599 HD22 ' OE2' ' B' ' 5' ' ' GLU . 26.3 mt -107.62 142.5 37.47 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.24 0.543 . . . . 0.0 111.377 -179.403 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.7 t -115.87 -65.86 1.14 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.329 178.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.85 -38.03 91.64 Favored Glycine 0 CA--C 1.532 1.104 0 CA-C-N 115.73 -0.668 . . . . 0.0 113.712 -179.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -60.77 -53.41 57.69 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 117.954 0.877 . . . . 0.0 112.132 -178.043 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -74.24 -39.71 62.87 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 120.36 -0.536 . . . . 0.0 111.068 178.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -61.34 -30.03 70.26 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.503 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.83 -29.29 59.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.118 -0.492 . . . . 0.0 112.012 -177.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -90.08 118.96 30.02 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 119.467 -0.893 . . . . 0.0 109.687 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.1 tttp -62.72 -39.69 94.86 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 -178.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -70.36 142.41 52.13 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 -177.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.6 m -73.01 -27.62 24.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 178.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -72.54 -6.27 42.75 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 114.887 -1.051 . . . . 0.0 109.391 179.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.422 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -55.44 -37.75 68.11 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.198 -178.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.584 HG13 ' N ' ' A' ' 55' ' ' ASP . 9.9 p -59.95 -42.99 91.3 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 C-N-CA 119.609 -0.836 . . . . 0.0 109.888 178.285 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.584 ' N ' HG13 ' A' ' 54' ' ' VAL . 88.3 m-20 -61.52 -42.36 98.69 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.652 179.485 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 53.4 mttp -60.95 -39.16 88.44 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.254 -0.578 . . . . 0.0 110.237 179.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 53' ' ' ALA . 75.0 t -66.15 -45.09 91.15 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.499 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.418 -179.615 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.401 ' HG3' ' N ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER -70.72 -35.86 72.93 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 114.506 1.299 . . . . 0.0 114.506 -178.142 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.401 ' N ' ' HG3' ' A' ' 58' ' ' MET . 28.7 mmtm -60.47 -40.44 91.23 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 119.852 -0.739 . . . . 0.0 112.94 -179.115 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -71.24 -35.76 71.55 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 119.425 -0.91 . . . . 0.0 110.435 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 63' ' ' GLU . 97.6 mt -67.16 -36.14 81.19 Favored 'General case' 0 CA--C 1.509 -0.616 0 CA-C-N 116.001 -0.545 . . . . 0.0 112.028 179.447 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.409 ' CG ' ' H ' ' A' ' 65' ' ' GLY . 44.3 t0 -71.51 71.39 0.68 Allowed 'General case' 0 N--CA 1.444 -0.74 0 C-N-CA 118.312 -1.355 . . . . 0.0 110.634 -178.399 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 61' ' ' LEU . 86.8 tt0 -62.71 -36.99 84.77 Favored 'General case' 0 CA--C 1.497 -1.07 0 N-CA-C 107.15 -1.426 . . . . 0.0 107.15 175.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.481 ' OD1' ' OD2' ' A' ' 66' ' ' ASP . 17.7 t-20 -57.31 -39.6 76.15 Favored 'General case' 0 N--CA 1.429 -1.488 0 CA-C-N 111.582 -2.553 . . . . 0.0 111.275 178.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.409 ' H ' ' CG ' ' A' ' 62' ' ' ASP . . . 80.07 18.49 71.99 Favored Glycine 0 CA--C 1.529 0.935 0 C-N-CA 121.314 -0.47 . . . . 0.0 112.781 178.069 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.575 ' OD2' ' NZ ' ' A' ' 27' ' ' LYS . 53.8 p30 -88.79 2.02 54.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 117.41 0.605 . . . . 0.0 112.328 -179.716 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 86.46 -2.48 87.41 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.519 -1.033 . . . . 0.0 110.519 178.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.509 ' OE1' ' O ' ' A' ' 66' ' ' ASP . 55.9 mp0 -122.09 161.14 23.61 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 115.38 -0.41 . . . . 0.0 110.398 179.594 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 47.9 t -101.82 130.26 51.8 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 N-CA-C 106.326 -1.731 . . . . 0.0 106.326 176.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.524 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 49.6 t0 -99.94 161.88 13.34 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.233 0.54 . . . . 0.0 111.823 -177.133 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.524 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 1.0 OUTLIER -50.36 -44.66 54.7 Favored 'General case' 0 C--O 1.217 -0.654 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.695 -178.451 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.425 ' HG2' HG21 ' B' ' 83' ' ' VAL . 94.3 mt-30 -61.98 -40.37 95.38 Favored 'General case' 0 C--O 1.244 0.814 0 C-N-CA 119.731 -0.788 . . . . 0.0 110.741 178.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.506 ' O ' HG22 ' A' ' 76' ' ' VAL . 76.1 mt-10 -64.15 -42.97 96.55 Favored 'General case' 0 C--O 1.244 0.798 0 CA-C-O 122.53 1.157 . . . . 0.0 109.733 -179.759 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -63.34 -41.02 98.85 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 114.232 -1.349 . . . . 0.0 110.256 178.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.636 HG13 ' HB1' ' B' ' 79' ' ' ALA . 0.5 OUTLIER -59.91 -47.72 90.51 Favored 'Isoleucine or valine' 0 C--O 1.247 0.972 0 CA-C-N 113.771 -1.559 . . . . 0.0 109.661 -178.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.506 HG22 ' O ' ' A' ' 73' ' ' GLU . 17.1 m -67.13 -34.71 71.34 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.587 0 C-N-CA 117.794 -1.563 . . . . 0.0 109.466 178.563 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.692 ' O ' HD13 ' A' ' 81' ' ' LEU . 25.7 tp -57.59 -50.25 73.73 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 118.826 -1.15 . . . . 0.0 111.866 178.518 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 35.1 m -69.02 -36.0 71.69 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.254 0 C-N-CA 118.658 -1.217 . . . . 0.0 111.587 -179.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.725 ' HB2' ' HB2' ' B' ' 79' ' ' ALA . . . -68.48 -48.03 65.54 Favored 'General case' 0 C--O 1.248 0.996 0 C-N-CA 118.996 -1.082 . . . . 0.0 111.691 -179.301 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.26 -39.79 95.57 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.13 179.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.692 HD13 ' O ' ' A' ' 77' ' ' LEU . 10.3 mp -65.27 -34.77 79.13 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 119.425 -0.91 . . . . 0.0 109.909 176.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 35.9 m -63.47 -50.3 70.26 Favored 'General case' 0 C--O 1.245 0.852 0 C-N-CA 119.845 -0.742 . . . . 0.0 111.454 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.459 ' O ' ' OD1' ' A' ' 87' ' ' ASN . 13.7 p -63.74 -38.93 83.59 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 C-N-CA 119.042 -1.063 . . . . 0.0 110.524 178.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.51 -30.62 71.4 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.832 178.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 38.7 t -67.57 -54.31 20.94 Favored 'General case' 0 CA--C 1.51 -0.588 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.43 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -55.9 -41.07 73.96 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 118.635 -1.226 . . . . 0.0 108.563 178.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.459 ' OD1' ' O ' ' A' ' 83' ' ' VAL . 25.1 m120 -59.22 -38.24 79.46 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.768 178.18 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -63.42 -46.97 83.89 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.936 179.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -62.87 -49.6 74.23 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -178.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.587 ' CE3' ' OH ' ' B' ' 26' ' ' TYR . 11.0 t-105 -71.75 -51.1 24.47 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-O 121.296 0.569 . . . . 0.0 112.421 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.447 ' C ' ' OE1' ' A' ' 91' ' ' GLU . 7.9 tm-20 . . . . . 0 C--N 1.313 -1.001 0 CA-C-N 115.229 -0.896 . . . . 0.0 112.135 -177.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 . . . . . 0 C--O 1.246 0.901 0 CA-C-O 120.792 0.33 . . . . 0.0 111.791 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.494 HD23 ' O ' ' B' ' 4' ' ' LEU . 6.3 tt -54.54 -41.23 69.49 Favored 'General case' 0 C--O 1.243 0.718 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . 0.599 ' OE2' HD22 ' A' ' 41' ' ' LEU . 71.5 mm-40 -64.41 -35.67 81.67 Favored 'General case' 0 CA--C 1.512 -0.501 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.426 177.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 42.7 m -58.28 -41.9 85.36 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 178.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.36 -44.14 92.36 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.573 178.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 99.2 mtp -59.45 -41.17 89.05 Favored 'General case' 0 C--O 1.25 1.107 0 CA-C-O 121.77 0.795 . . . . 0.0 109.642 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -64.69 -36.2 83.52 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.372 177.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 54.0 m -62.56 -43.77 97.99 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 119.329 -0.948 . . . . 0.0 110.438 178.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 42.4 mt -60.99 -42.41 98.33 Favored 'General case' 0 C--O 1.241 0.608 0 C-N-CA 119.07 -1.052 . . . . 0.0 108.545 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.8 mt -61.27 -45.51 98.46 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.131 178.5 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -62.46 -41.54 98.83 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -178.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.428 ' O ' ' HB3' ' B' ' 17' ' ' ALA . 14.5 m -73.66 -41.85 55.07 Favored 'Isoleucine or valine' 0 C--O 1.26 1.617 0 C-N-CA 119.17 -1.012 . . . . 0.0 110.793 -179.382 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -60.68 -46.63 89.63 Favored 'General case' 0 CA--C 1.508 -0.636 0 C-N-CA 119.348 -0.941 . . . . 0.0 109.414 177.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -61.94 -36.4 81.27 Favored 'General case' 0 CA--C 1.502 -0.878 0 CA-C-N 114.988 -1.005 . . . . 0.0 109.847 178.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.558 ' O ' ' HB2' ' B' ' 21' ' ' LYS . . . -57.37 -51.32 69.86 Favored 'General case' 0 N--CA 1.435 -1.185 0 C-N-CA 119.104 -1.038 . . . . 0.0 109.609 -179.063 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.53 ' HA ' ' HZ1' ' B' ' 21' ' ' LYS . 30.3 m80 -79.19 -52.61 7.93 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 114.794 1.405 . . . . 0.0 114.794 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.505 ' OG ' ' O ' ' B' ' 24' ' ' ASP . 20.0 t -58.37 -40.26 81.79 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 119.457 -0.897 . . . . 0.0 109.444 -178.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.15 -44.95 27.41 Favored Glycine 0 C--N 1.345 1.053 0 CA-C-N 115.826 -0.625 . . . . 0.0 112.432 178.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . 0.558 ' HB2' ' O ' ' B' ' 17' ' ' ALA . 6.7 ttpm? -58.22 -44.05 88.02 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 120.161 -0.616 . . . . 0.0 111.783 -179.567 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.543 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 84.7 tt0 -133.31 137.14 45.84 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.503 -0.479 . . . . 0.0 110.172 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.49 -164.13 54.03 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 178.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . 0.505 ' O ' ' OG ' ' B' ' 19' ' ' SER . 88.6 m-20 -70.14 142.94 52.47 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 178.7 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.456 ' C ' ' OG ' ' B' ' 19' ' ' SER . 51.0 mttm -60.51 -32.97 71.96 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.682 0.753 . . . . 0.0 110.275 -178.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.587 ' OH ' ' CE3' ' A' ' 90' ' ' TRP . 97.8 m-85 -102.62 15.9 27.94 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 114.704 -1.135 . . . . 0.0 112.954 -175.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.554 ' NZ ' ' OD2' ' B' ' 66' ' ' ASP . 5.0 tptt -140.75 138.44 34.16 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 118.909 -1.117 . . . . 0.0 109.483 178.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 15.3 tp -113.55 129.43 56.56 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 -178.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 24.2 t -102.06 159.59 15.24 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.495 -179.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 23.0 ttpt -52.33 -46.72 66.17 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-O 121.205 0.526 . . . . 0.0 111.319 -178.17 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.574 ' HG3' ' N ' ' B' ' 32' ' ' GLU . 21.7 pttm -60.53 -48.1 83.27 Favored 'General case' 0 N--CA 1.44 -0.975 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.018 -178.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.574 ' N ' ' HG3' ' B' ' 31' ' ' LYS . 94.7 mt-10 -63.07 -48.52 78.3 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.963 -178.63 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 pp -62.2 -34.32 76.24 Favored 'General case' 0 CA--C 1.498 -1.051 0 C-N-CA 118.755 -1.178 . . . . 0.0 110.398 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.731 ' NZ ' HE22 ' B' ' 38' ' ' GLN . 0.8 OUTLIER -54.93 -36.68 65.53 Favored 'General case' 0 N--CA 1.435 -1.19 0 C-N-CA 117.729 -1.588 . . . . 0.0 107.574 178.249 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.875 ' O ' HG23 ' B' ' 39' ' ' THR . 97.3 mt-10 -75.59 -41.31 54.88 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 178.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.752 HD23 ' O ' ' B' ' 36' ' ' LEU . 2.5 tt -66.19 -46.79 76.08 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 120.155 -0.618 . . . . 0.0 111.901 -176.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.584 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 1.1 mm? -64.91 -41.82 95.26 Favored 'General case' 0 CA--C 1.52 -0.211 0 C-N-CA 118.74 -1.184 . . . . 0.0 110.891 -179.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.731 HE22 ' NZ ' ' B' ' 34' ' ' LYS . 95.8 mt-30 -64.4 -39.79 94.53 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.405 -0.518 . . . . 0.0 111.85 179.485 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.875 HG23 ' O ' ' B' ' 35' ' ' GLU . 63.0 p -70.95 -39.26 72.7 Favored 'General case' 0 C--O 1.232 0.158 0 C-N-CA 120.21 -0.596 . . . . 0.0 111.594 -179.63 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -90.84 -49.04 6.66 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.752 -0.379 . . . . 0.0 111.938 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.6 HD22 ' OE2' ' A' ' 5' ' ' GLU . 26.3 mt -107.47 142.51 37.23 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.17 0.509 . . . . 0.0 111.409 -179.448 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 6.7 t -115.96 -65.8 1.15 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.268 178.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.87 -38.01 91.73 Favored Glycine 0 CA--C 1.531 1.066 0 CA-C-N 115.84 -0.618 . . . . 0.0 113.71 -179.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -60.74 -53.52 56.34 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 117.991 0.895 . . . . 0.0 112.145 -178.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -74.06 -39.83 63.22 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 120.427 -0.509 . . . . 0.0 111.121 178.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -61.23 -30.05 70.21 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.609 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.83 -29.25 59.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.041 -0.527 . . . . 0.0 112.052 -177.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 90.4 mm-40 -90.2 119.0 30.15 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 119.488 -0.885 . . . . 0.0 109.725 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 37.1 tttp -62.77 -39.6 94.69 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 -178.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -70.38 142.42 52.1 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -177.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 4.6 m -73.01 -27.63 24.98 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 178.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -72.56 -6.18 42.22 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 114.889 -1.05 . . . . 0.0 109.378 179.112 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.419 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -55.43 -37.76 68.1 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.137 -178.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.574 HG13 ' N ' ' B' ' 55' ' ' ASP . 9.9 p -59.97 -43.0 91.44 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 C-N-CA 119.573 -0.851 . . . . 0.0 109.827 178.354 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.574 ' N ' HG13 ' B' ' 54' ' ' VAL . 88.3 m-20 -61.5 -42.32 98.62 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.67 179.561 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 53.5 mttp -60.93 -39.21 88.55 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.248 -0.581 . . . . 0.0 110.265 179.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.419 HG23 ' O ' ' B' ' 53' ' ' ALA . 75.1 t -66.08 -45.19 91.16 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.488 0 CA-C-N 115.87 -0.605 . . . . 0.0 112.422 -179.621 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.401 ' HG3' ' N ' ' B' ' 59' ' ' LYS . 0.2 OUTLIER -70.67 -35.84 73.04 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 114.517 1.303 . . . . 0.0 114.517 -178.132 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . 0.401 ' N ' ' HG3' ' B' ' 58' ' ' MET . 28.7 mmtm -60.55 -40.43 91.55 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 119.777 -0.769 . . . . 0.0 112.965 -179.114 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -71.22 -35.7 71.6 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 119.412 -0.915 . . . . 0.0 110.475 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' B' ' 63' ' ' GLU . 97.7 mt -67.2 -36.15 81.13 Favored 'General case' 0 CA--C 1.509 -0.635 0 CA-C-N 116.044 -0.525 . . . . 0.0 112.069 179.407 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.409 ' CG ' ' H ' ' B' ' 65' ' ' GLY . 44.4 t0 -71.48 71.38 0.67 Allowed 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 118.312 -1.355 . . . . 0.0 110.56 -178.37 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' B' ' 61' ' ' LEU . 86.8 tt0 -62.62 -37.21 85.4 Favored 'General case' 0 CA--C 1.498 -1.026 0 N-CA-C 107.078 -1.453 . . . . 0.0 107.078 175.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.482 ' OD1' ' OD2' ' B' ' 66' ' ' ASP . 17.7 t-20 -57.21 -39.53 75.63 Favored 'General case' 0 N--CA 1.429 -1.484 0 CA-C-N 111.515 -2.584 . . . . 0.0 111.388 178.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.409 ' H ' ' CG ' ' B' ' 62' ' ' ASP . . . 80.06 18.4 72.23 Favored Glycine 0 CA--C 1.529 0.958 0 C-N-CA 121.391 -0.433 . . . . 0.0 112.808 177.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.554 ' OD2' ' NZ ' ' B' ' 27' ' ' LYS . 54.2 p30 -88.6 1.94 54.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 117.373 0.586 . . . . 0.0 112.309 -179.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 86.47 -2.58 87.41 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.538 -1.025 . . . . 0.0 110.538 179.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.514 ' OE1' ' O ' ' B' ' 66' ' ' ASP . 55.9 mp0 -122.08 161.18 23.53 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 115.371 -0.414 . . . . 0.0 110.381 179.608 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 48.0 t -101.83 130.29 51.75 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 N-CA-C 106.337 -1.727 . . . . 0.0 106.337 176.17 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.542 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 49.0 t0 -99.83 161.82 13.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.267 0.556 . . . . 0.0 111.809 -177.058 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.542 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 1.0 OUTLIER -50.48 -44.62 55.85 Favored 'General case' 0 C--O 1.217 -0.64 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.598 -178.509 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.423 ' HG2' HG21 ' A' ' 83' ' ' VAL . 94.3 mt-30 -61.9 -40.33 95.06 Favored 'General case' 0 C--O 1.246 0.901 0 C-N-CA 119.733 -0.787 . . . . 0.0 110.799 178.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.504 ' O ' HG22 ' B' ' 76' ' ' VAL . 76.1 mt-10 -64.24 -43.07 96.03 Favored 'General case' 0 C--O 1.243 0.746 0 CA-C-O 122.518 1.151 . . . . 0.0 109.614 -179.685 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -63.17 -41.11 99.18 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.281 -1.327 . . . . 0.0 110.252 178.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.634 HG13 ' HB1' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -59.97 -47.66 90.83 Favored 'Isoleucine or valine' 0 C--O 1.248 0.978 0 CA-C-N 113.805 -1.543 . . . . 0.0 109.663 -178.898 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.504 HG22 ' O ' ' B' ' 73' ' ' GLU . 17.2 m -67.23 -34.62 70.4 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.584 0 C-N-CA 117.722 -1.591 . . . . 0.0 109.473 178.488 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.702 ' O ' HD13 ' B' ' 81' ' ' LEU . 25.7 tp -57.56 -50.36 73.36 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 118.886 -1.125 . . . . 0.0 111.791 178.467 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 34.9 m -68.88 -36.14 72.68 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 C-N-CA 118.78 -1.168 . . . . 0.0 111.596 -179.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.725 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . . . -68.4 -48.03 65.74 Favored 'General case' 0 C--O 1.25 1.084 0 C-N-CA 118.965 -1.094 . . . . 0.0 111.814 -179.371 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.23 -39.8 95.63 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.65 -0.704 . . . . 0.0 109.163 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.702 HD13 ' O ' ' B' ' 77' ' ' LEU . 10.2 mp -65.3 -34.81 79.22 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 119.509 -0.877 . . . . 0.0 109.881 176.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 36.8 m -63.43 -50.3 70.32 Favored 'General case' 0 C--O 1.246 0.908 0 C-N-CA 119.803 -0.759 . . . . 0.0 111.39 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.467 ' O ' ' OD1' ' B' ' 87' ' ' ASN . 13.8 p -63.7 -38.96 83.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 C-N-CA 119.057 -1.057 . . . . 0.0 110.535 178.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.45 -30.66 71.47 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.82 178.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 38.6 t -67.53 -54.47 19.72 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.384 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -55.82 -41.03 73.6 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 118.63 -1.228 . . . . 0.0 108.651 178.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . 0.467 ' OD1' ' O ' ' B' ' 83' ' ' VAL . 25.1 m120 -59.19 -38.33 79.59 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.816 178.141 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -63.39 -47.0 83.86 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.888 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -62.85 -49.6 74.25 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -178.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 90' ' ' TRP . . . . . 0.595 ' CE3' ' OH ' ' A' ' 26' ' ' TYR . 10.9 t-105 -71.84 -50.99 24.65 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-O 121.24 0.543 . . . . 0.0 112.388 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . 0.45 ' OE1' ' C ' ' B' ' 91' ' ' GLU . 7.9 tm-20 . . . . . 0 C--N 1.313 -1.012 0 CA-C-N 115.284 -0.871 . . . . 0.0 112.197 -177.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 55.7 mp0 . . . . . 0 C--O 1.241 0.636 0 N-CA-C 111.838 0.311 . . . . 0.0 111.838 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.516 HD22 HD21 ' B' ' 41' ' ' LEU . 5.7 tt -60.24 -40.12 89.13 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 107.583 -1.265 . . . . 0.0 107.583 -179.344 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.47 -37.43 87.49 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.002 178.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.1 m -59.12 -41.91 89.32 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 179.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.61 -45.07 88.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.549 179.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 99.2 mtp -59.65 -41.3 90.22 Favored 'General case' 0 C--O 1.248 0.991 0 CA-C-O 121.584 0.707 . . . . 0.0 109.733 179.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.84 -35.74 82.09 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.839 177.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 41.5 m -63.77 -43.23 97.01 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 119.523 -0.871 . . . . 0.0 110.145 179.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 37.4 mt -61.57 -42.53 98.98 Favored 'General case' 0 C--O 1.242 0.702 0 C-N-CA 119.295 -0.962 . . . . 0.0 108.821 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 99.5 mt -61.81 -46.78 95.78 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 C-N-CA 119.509 -0.876 . . . . 0.0 110.85 178.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -61.91 -40.78 96.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.885 -179.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.0 m -72.9 -39.78 59.06 Favored 'Isoleucine or valine' 0 C--O 1.246 0.888 0 C-N-CA 118.726 -1.19 . . . . 0.0 111.067 -179.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -60.88 -48.17 83.03 Favored 'General case' 0 C--N 1.345 0.374 0 C-N-CA 118.577 -1.249 . . . . 0.0 110.163 177.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -63.06 -36.0 82.11 Favored 'General case' 0 CA--C 1.504 -0.817 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.052 178.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.592 ' O ' ' HB2' ' A' ' 21' ' ' LYS . . . -55.37 -50.57 69.35 Favored 'General case' 0 CA--C 1.492 -1.27 0 C-N-CA 118.781 -1.168 . . . . 0.0 108.623 -179.213 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 1.056 ' ND1' HD11 ' A' ' 28' ' ' LEU . 13.4 t-80 -76.81 -55.54 5.39 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 116.256 1.947 . . . . 0.0 116.256 -177.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.43 ' OG ' ' O ' ' A' ' 25' ' ' LYS . 23.0 t -58.79 -41.21 86.15 Favored 'General case' 0 CA--C 1.509 -0.608 0 N-CA-C 107.88 -1.156 . . . . 0.0 107.88 -179.046 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.55 -43.41 94.64 Favored Glycine 0 C--N 1.349 1.258 0 O-C-N 124.642 1.214 . . . . 0.0 111.182 177.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.592 ' HB2' ' O ' ' A' ' 17' ' ' ALA . 5.4 ttpm? -60.08 -44.13 95.01 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 -178.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -131.97 141.84 49.42 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 113.709 1.004 . . . . 0.0 113.709 -177.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 63.83 -131.47 40.12 Favored Glycine 0 CA--C 1.524 0.603 0 CA-C-N 115.093 -0.958 . . . . 0.0 112.992 177.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -79.41 125.16 29.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.066 -0.567 . . . . 0.0 110.251 -179.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.43 ' O ' ' OG ' ' A' ' 19' ' ' SER . 35.3 mtmt -58.53 -32.46 68.88 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.38 -0.827 . . . . 0.0 112.914 -177.512 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.607 ' OH ' ' CH2' ' B' ' 90' ' ' TRP . 97.3 m-85 -107.85 19.71 19.72 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 -178.034 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.407 ' NZ ' ' OD2' ' A' ' 66' ' ' ASP . 34.6 tptt -143.23 145.56 32.87 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 119.154 -1.018 . . . . 0.0 109.447 179.231 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 1.056 HD11 ' ND1' ' A' ' 18' ' ' HIS . 5.7 tp -112.29 128.95 56.42 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 119.977 -0.689 . . . . 0.0 109.996 -177.593 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.8 t -103.66 156.9 17.44 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.4 ttpm? -53.75 -47.17 70.92 Favored 'General case' 0 C--O 1.244 0.789 0 CA-C-O 121.43 0.633 . . . . 0.0 111.948 -177.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.603 ' HG3' ' N ' ' A' ' 32' ' ' GLU . 55.1 pttt -59.41 -47.57 84.95 Favored 'General case' 0 N--CA 1.44 -0.939 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.367 -178.668 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.671 ' O ' ' NE2' ' A' ' 18' ' ' HIS . 94.8 mt-10 -62.7 -48.83 77.57 Favored 'General case' 0 C--O 1.244 0.8 0 CA-C-N 115.035 -0.984 . . . . 0.0 112.158 -178.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.8 pp -62.25 -33.47 74.67 Favored 'General case' 0 CA--C 1.499 -1.015 0 C-N-CA 118.462 -1.295 . . . . 0.0 110.424 -179.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.686 ' NZ ' ' NE2' ' A' ' 38' ' ' GLN . 1.1 tptp -53.54 -36.93 62.35 Favored 'General case' 0 N--CA 1.439 -1.025 0 C-N-CA 117.458 -1.697 . . . . 0.0 107.718 177.433 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.866 ' O ' HG23 ' A' ' 39' ' ' THR . 97.0 mt-10 -74.63 -42.84 57.87 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 178.697 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.817 HD23 ' O ' ' A' ' 36' ' ' LEU . 3.3 tt -63.21 -45.66 90.63 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 118.599 -1.24 . . . . 0.0 111.057 -177.642 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.588 ' O ' ' O ' ' A' ' 41' ' ' LEU . 1.3 mm? -61.71 -43.54 98.66 Favored 'General case' 0 CA--C 1.515 -0.401 0 C-N-CA 118.694 -1.202 . . . . 0.0 110.997 -179.024 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.686 ' NE2' ' NZ ' ' A' ' 34' ' ' LYS . 96.0 mt-30 -62.89 -37.65 87.77 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.16 -0.616 . . . . 0.0 111.088 178.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.866 HG23 ' O ' ' A' ' 35' ' ' GLU . 72.6 p -71.02 -34.03 70.93 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 120.648 -0.421 . . . . 0.0 112.032 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -102.51 -59.0 1.77 Allowed 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 113.048 0.758 . . . . 0.0 113.048 -179.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.588 ' O ' ' O ' ' A' ' 37' ' ' LEU . 31.3 mt -98.29 142.53 29.83 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.358 0.599 . . . . 0.0 111.163 -178.702 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.549 ' OG ' ' N ' ' A' ' 43' ' ' GLY . 83.0 p -110.8 -77.02 0.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.146 179.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.549 ' N ' ' OG ' ' A' ' 42' ' ' SER . . . -56.63 -35.73 68.4 Favored Glycine 0 CA--C 1.53 1.028 0 CA-C-N 115.691 -0.686 . . . . 0.0 113.899 -178.413 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -61.25 -59.09 5.84 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 118.144 0.972 . . . . 0.0 112.731 -177.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.564 HD13 ' O ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -71.96 -39.47 69.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.544 0.688 . . . . 0.0 109.789 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.437 ' CB ' ' O ' ' A' ' 42' ' ' SER . 59.2 t0 -62.45 -27.13 68.9 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.923 179.067 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.51 ' HB2' ' O ' ' A' ' 43' ' ' GLY . . . -53.21 -26.54 18.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.203 -0.453 . . . . 0.0 112.028 -176.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 91.5 mm-40 -85.72 117.34 24.54 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 119.334 -0.946 . . . . 0.0 109.765 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -63.01 -35.81 81.47 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 113.715 1.005 . . . . 0.0 113.715 -179.085 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -69.36 142.33 54.0 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 -177.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.3 m -74.04 -27.72 22.63 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.123 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.67 178.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -80.7 2.79 24.5 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 115.333 -0.849 . . . . 0.0 109.325 179.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.544 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -56.93 -37.61 71.73 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.197 -0.91 . . . . 0.0 109.741 -179.431 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.565 HG13 ' N ' ' A' ' 55' ' ' ASP . 10.6 p -60.85 -42.86 94.13 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 C-N-CA 119.718 -0.793 . . . . 0.0 110.293 178.557 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.565 ' N ' HG13 ' A' ' 54' ' ' VAL . 87.0 m-20 -60.41 -44.31 95.86 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 120.009 -0.676 . . . . 0.0 109.189 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 69.3 mttm -63.8 -39.43 94.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.473 179.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 53' ' ' ALA . 67.9 t -65.41 -46.87 88.87 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.206 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 -177.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.7 ppp? -67.0 -34.22 77.28 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 113.693 0.997 . . . . 0.0 113.693 -178.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 36.3 mmtt -60.51 -40.45 91.49 Favored 'General case' 0 N--CA 1.465 0.275 0 C-N-CA 119.27 -0.972 . . . . 0.0 111.07 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -64.56 -40.45 95.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.211 0.529 . . . . 0.0 110.804 179.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 63' ' ' GLU . 79.6 mt -68.31 -34.68 76.57 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.379 -0.828 . . . . 0.0 112.399 -179.325 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.441 ' CG ' ' H ' ' A' ' 65' ' ' GLY . 44.6 t0 -69.94 72.01 0.39 Allowed 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 118.525 -1.27 . . . . 0.0 110.288 -178.228 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 61' ' ' LEU . 87.6 tt0 -63.78 -38.4 90.96 Favored 'General case' 0 CA--C 1.498 -1.034 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 176.211 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.46 ' OD1' ' CG ' ' A' ' 66' ' ' ASP . 18.8 t-20 -58.21 -39.79 79.96 Favored 'General case' 0 C--N 1.304 -1.389 0 CA-C-N 111.618 -2.537 . . . . 0.0 111.371 178.431 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.441 ' H ' ' CG ' ' A' ' 62' ' ' ASP . . . 80.8 18.6 69.87 Favored Glycine 0 CA--C 1.53 1.028 0 C-N-CA 121.452 -0.404 . . . . 0.0 112.949 178.134 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.501 ' O ' ' OE1' ' A' ' 68' ' ' GLU . 57.0 p30 -89.4 2.48 54.39 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 117.646 0.723 . . . . 0.0 112.489 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 88.71 -4.28 85.01 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.582 -1.007 . . . . 0.0 110.582 178.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.501 ' OE1' ' O ' ' A' ' 66' ' ' ASP . 53.9 mp0 -122.62 160.06 26.54 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.239 0.543 . . . . 0.0 110.868 179.594 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.414 ' HA ' ' OE1' ' A' ' 73' ' ' GLU . 74.5 t -104.14 129.68 56.02 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.632 0 N-CA-C 106.621 -1.622 . . . . 0.0 106.621 176.469 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.499 ' C ' ' OD1' ' A' ' 70' ' ' ASP . 21.6 p30 -103.44 173.32 6.36 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 120.031 -0.668 . . . . 0.0 111.155 -177.157 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -53.78 -45.66 70.74 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.156 -179.112 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -62.23 -40.81 97.37 Favored 'General case' 0 C--O 1.243 0.757 0 C-N-CA 120.248 -0.581 . . . . 0.0 111.682 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.468 ' O ' HG22 ' A' ' 76' ' ' VAL . 72.1 mt-10 -64.64 -42.01 95.75 Favored 'General case' 0 C--O 1.242 0.697 0 CA-C-O 122.329 1.062 . . . . 0.0 109.525 179.61 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.401 ' CE1' HD13 ' A' ' 36' ' ' LEU . 68.8 t80 -63.08 -41.3 99.38 Favored 'General case' 0 C--O 1.241 0.613 0 CA-C-N 114.404 -1.271 . . . . 0.0 110.169 178.537 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.611 HG13 ' HB1' ' B' ' 79' ' ' ALA . 0.5 OUTLIER -60.64 -47.59 92.3 Favored 'Isoleucine or valine' 0 C--O 1.246 0.902 0 CA-C-N 113.652 -1.613 . . . . 0.0 110.086 -178.937 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.468 HG22 ' O ' ' A' ' 73' ' ' GLU . 15.5 m -67.28 -35.21 73.25 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.512 0 C-N-CA 117.848 -1.541 . . . . 0.0 109.314 178.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.591 ' O ' HD13 ' A' ' 81' ' ' LEU . 28.8 tp -56.2 -51.56 67.62 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 118.965 -1.094 . . . . 0.0 111.727 178.181 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.9 m -68.9 -35.89 71.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 C-N-CA 118.487 -1.285 . . . . 0.0 111.894 -178.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.698 ' HB2' ' HB2' ' B' ' 79' ' ' ALA . . . -68.45 -48.65 63.99 Favored 'General case' 0 C--O 1.249 1.051 0 C-N-CA 119.028 -1.069 . . . . 0.0 111.889 -179.437 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.14 -40.18 96.82 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.111 -0.699 . . . . 0.0 109.111 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.591 HD13 ' O ' ' A' ' 77' ' ' LEU . 10.2 mp -65.09 -34.45 78.45 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 119.354 -0.939 . . . . 0.0 109.871 176.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 37.5 m -63.33 -50.54 69.63 Favored 'General case' 0 C--O 1.248 1.0 0 C-N-CA 119.772 -0.771 . . . . 0.0 111.382 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.8 p -63.55 -39.15 84.28 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 C-N-CA 119.13 -1.028 . . . . 0.0 110.75 178.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.484 ' O ' ' CD2' ' A' ' 88' ' ' PHE . . . -65.02 -34.78 79.24 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 120.296 -0.562 . . . . 0.0 109.85 178.703 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 42.1 t -62.35 -54.75 35.91 Favored 'General case' 0 CA--C 1.506 -0.744 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.366 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -56.38 -40.25 74.3 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 118.717 -1.193 . . . . 0.0 109.178 179.079 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -59.18 -40.61 86.19 Favored 'General case' 0 CA--C 1.527 0.079 0 C-N-CA 120.34 -0.544 . . . . 0.0 111.004 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.529 ' O ' ' O ' ' A' ' 91' ' ' GLU . 63.2 m-85 -68.19 -40.76 82.14 Favored 'General case' 0 CA--C 1.523 -0.095 0 C-N-CA 120.054 -0.658 . . . . 0.0 111.507 178.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -63.38 -53.45 52.32 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 119.729 -0.788 . . . . 0.0 111.408 -179.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.604 ' CZ3' ' OH ' ' B' ' 26' ' ' TYR . 28.9 t-105 -67.16 -40.24 86.61 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 121.011 0.434 . . . . 0.0 112.134 178.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.529 ' O ' ' O ' ' A' ' 88' ' ' PHE . 2.9 tm-20 . . . . . 0 C--N 1.324 -0.506 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.564 -177.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 55.6 mp0 . . . . . 0 C--O 1.241 0.651 0 CA-C-O 120.777 0.322 . . . . 0.0 111.843 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.498 HD22 HD21 ' A' ' 41' ' ' LEU . 5.7 tt -60.32 -40.07 89.3 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 -179.319 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.48 -37.5 87.74 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.013 178.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 44.8 m -59.06 -41.8 88.8 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.72 -45.02 88.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.503 -0.772 . . . . 0.0 110.54 179.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 99.3 mtp -59.82 -41.21 90.79 Favored 'General case' 0 C--O 1.248 1.022 0 CA-C-O 121.609 0.718 . . . . 0.0 109.706 179.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -64.87 -36.36 84.11 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.773 177.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 40.6 m -62.93 -43.51 98.59 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 119.575 -0.85 . . . . 0.0 110.314 179.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 42.9 mt -61.66 -42.34 98.78 Favored 'General case' 0 C--O 1.243 0.738 0 C-N-CA 119.316 -0.953 . . . . 0.0 108.866 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 99.5 mt -61.81 -46.86 95.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 C-N-CA 119.624 -0.83 . . . . 0.0 110.836 178.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -61.87 -40.78 96.56 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.918 0.71 . . . . 0.0 112.918 -179.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 13.9 m -72.9 -39.74 59.02 Favored 'Isoleucine or valine' 0 C--O 1.247 0.921 0 C-N-CA 118.746 -1.182 . . . . 0.0 111.007 -179.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -60.99 -48.14 83.21 Favored 'General case' 0 C--N 1.343 0.288 0 C-N-CA 118.506 -1.277 . . . . 0.0 110.204 177.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -62.97 -36.25 82.87 Favored 'General case' 0 CA--C 1.505 -0.782 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.066 178.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.594 ' O ' ' HB2' ' B' ' 21' ' ' LYS . . . -55.2 -50.69 68.73 Favored 'General case' 0 CA--C 1.494 -1.194 0 C-N-CA 118.822 -1.151 . . . . 0.0 108.666 -179.354 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 1.043 ' ND1' HD11 ' B' ' 28' ' ' LEU . 14.0 t-80 -76.64 -55.52 5.43 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 116.166 1.913 . . . . 0.0 116.166 -177.743 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.427 ' OG ' ' O ' ' B' ' 25' ' ' LYS . 23.1 t -58.96 -41.22 86.97 Favored 'General case' 0 CA--C 1.512 -0.511 0 C-N-CA 118.91 -1.116 . . . . 0.0 107.999 -179.152 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.54 -43.44 94.61 Favored Glycine 0 C--N 1.347 1.187 0 O-C-N 124.814 1.321 . . . . 0.0 111.189 178.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . 0.594 ' HB2' ' O ' ' B' ' 17' ' ' ALA . 5.4 ttpm? -60.05 -44.14 94.9 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 -178.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -131.88 141.87 49.51 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 -177.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 63.79 -131.49 40.26 Favored Glycine 0 CA--C 1.524 0.641 0 CA-C-N 115.148 -0.933 . . . . 0.0 112.948 177.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -79.27 125.11 29.06 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.043 -0.578 . . . . 0.0 110.272 -179.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.427 ' O ' ' OG ' ' B' ' 19' ' ' SER . 35.3 mtmt -58.56 -32.32 68.8 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.307 -0.86 . . . . 0.0 112.922 -177.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.604 ' OH ' ' CZ3' ' A' ' 90' ' ' TRP . 97.3 m-85 -107.96 19.7 19.69 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 -178.117 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.424 ' NZ ' ' OD2' ' B' ' 66' ' ' ASP . 34.9 tptt -143.21 145.66 32.97 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 119.064 -1.054 . . . . 0.0 109.444 179.176 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 1.043 HD11 ' ND1' ' B' ' 18' ' ' HIS . 5.7 tp -112.32 128.9 56.41 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 119.967 -0.693 . . . . 0.0 110.036 -177.598 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 23.5 t -103.69 156.93 17.42 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 5.3 ttpm? -53.77 -47.19 70.98 Favored 'General case' 0 C--O 1.245 0.848 0 CA-C-O 121.392 0.615 . . . . 0.0 111.912 -177.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.598 ' CG ' ' N ' ' B' ' 32' ' ' GLU . 54.8 pttt -59.42 -47.55 85.04 Favored 'General case' 0 N--CA 1.441 -0.912 0 C-N-CA 119.893 -0.723 . . . . 0.0 109.434 -178.75 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.672 ' O ' ' NE2' ' B' ' 18' ' ' HIS . 94.8 mt-10 -62.66 -48.8 77.74 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 115.042 -0.981 . . . . 0.0 112.166 -178.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.8 pp -62.23 -33.48 74.67 Favored 'General case' 0 CA--C 1.499 -1.006 0 C-N-CA 118.513 -1.275 . . . . 0.0 110.386 -179.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.684 ' NZ ' ' NE2' ' B' ' 38' ' ' GLN . 1.1 tptp -53.52 -37.0 62.38 Favored 'General case' 0 N--CA 1.439 -0.995 0 C-N-CA 117.466 -1.694 . . . . 0.0 107.636 177.524 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.878 ' O ' HG23 ' B' ' 39' ' ' THR . 97.1 mt-10 -74.66 -42.85 57.74 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 178.71 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.813 HD23 ' O ' ' B' ' 36' ' ' LEU . 3.8 tt -62.99 -45.84 90.5 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 118.681 -1.207 . . . . 0.0 110.889 -177.549 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.586 ' O ' ' O ' ' B' ' 41' ' ' LEU . 1.3 mm? -61.74 -43.61 98.53 Favored 'General case' 0 CA--C 1.514 -0.42 0 C-N-CA 118.787 -1.165 . . . . 0.0 111.073 -178.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.684 ' NE2' ' NZ ' ' B' ' 34' ' ' LYS . 96.1 mt-30 -62.83 -37.7 87.84 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.118 -0.633 . . . . 0.0 111.031 178.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.878 HG23 ' O ' ' B' ' 35' ' ' GLU . 72.9 p -70.89 -34.04 71.17 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 120.648 -0.421 . . . . 0.0 112.038 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -102.59 -58.98 1.78 Allowed 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 113.032 0.752 . . . . 0.0 113.032 -179.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.586 ' O ' ' O ' ' B' ' 37' ' ' LEU . 31.4 mt -98.24 142.59 29.71 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.321 0.581 . . . . 0.0 111.133 -178.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.547 ' OG ' ' N ' ' B' ' 43' ' ' GLY . 82.9 p -110.89 -76.98 0.59 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.199 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . 0.547 ' N ' ' OG ' ' B' ' 42' ' ' SER . . . -56.74 -35.61 68.4 Favored Glycine 0 CA--C 1.529 0.958 0 CA-C-N 115.683 -0.69 . . . . 0.0 113.923 -178.402 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -61.28 -59.09 5.83 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 118.144 0.972 . . . . 0.0 112.649 -177.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.55 HD13 ' O ' ' B' ' 45' ' ' LEU . 0.2 OUTLIER -72.02 -39.49 69.14 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 121.5 0.667 . . . . 0.0 109.706 -179.898 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.448 ' CB ' ' O ' ' B' ' 42' ' ' SER . 59.1 t0 -62.4 -27.14 68.88 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 114.885 -1.052 . . . . 0.0 111.945 179.078 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . 0.51 ' HB2' ' O ' ' B' ' 43' ' ' GLY . . . -53.21 -26.59 18.13 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.164 -0.471 . . . . 0.0 112.024 -176.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -85.7 117.4 24.56 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 119.296 -0.962 . . . . 0.0 109.717 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -62.96 -35.88 81.62 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 -179.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -69.36 142.33 53.99 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -177.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 4.4 m -74.13 -27.63 22.28 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.136 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.625 178.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -80.71 2.78 24.58 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.354 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.542 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -56.89 -37.51 71.48 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 115.142 -0.935 . . . . 0.0 109.848 -179.525 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.566 HG13 ' N ' ' B' ' 55' ' ' ASP . 10.5 p -60.91 -42.88 94.41 Favored 'Isoleucine or valine' 0 C--O 1.242 0.664 0 C-N-CA 119.799 -0.761 . . . . 0.0 110.31 178.485 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.566 ' N ' HG13 ' B' ' 54' ' ' VAL . 86.8 m-20 -60.44 -44.3 95.95 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 120.009 -0.676 . . . . 0.0 109.218 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 69.3 mttm -63.77 -39.45 94.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.487 179.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.542 HG23 ' O ' ' B' ' 53' ' ' ALA . 67.6 t -65.34 -47.05 88.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 -177.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 1.6 ppp? -66.98 -34.17 77.16 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 -178.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 36.3 mmtt -60.63 -40.41 91.86 Favored 'General case' 0 N--CA 1.463 0.184 0 C-N-CA 119.281 -0.968 . . . . 0.0 111.095 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -64.59 -40.41 95.48 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.728 179.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' B' ' 63' ' ' GLU . 79.6 mt -68.29 -34.7 76.63 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.476 -0.784 . . . . 0.0 112.41 -179.325 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.439 ' CG ' ' H ' ' B' ' 65' ' ' GLY . 44.5 t0 -69.99 72.05 0.4 Allowed 'General case' 0 N--CA 1.446 -0.647 0 C-N-CA 118.51 -1.276 . . . . 0.0 110.327 -178.254 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' B' ' 61' ' ' LEU . 87.6 tt0 -63.7 -38.47 91.25 Favored 'General case' 0 CA--C 1.498 -1.038 0 CA-C-O 123.104 1.431 . . . . 0.0 107.155 176.18 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.464 ' OD1' ' CG ' ' B' ' 66' ' ' ASP . 18.8 t-20 -58.21 -39.74 79.8 Favored 'General case' 0 N--CA 1.43 -1.426 0 CA-C-N 111.605 -2.543 . . . . 0.0 111.41 178.465 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.439 ' H ' ' CG ' ' B' ' 62' ' ' ASP . . . 80.8 18.49 70.14 Favored Glycine 0 CA--C 1.531 1.056 0 C-N-CA 121.362 -0.446 . . . . 0.0 112.964 178.088 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.5 ' O ' ' OE1' ' B' ' 68' ' ' GLU . 57.3 p30 -89.28 2.46 54.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 117.652 0.726 . . . . 0.0 112.503 -179.704 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 88.72 -4.35 85.0 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.558 -1.017 . . . . 0.0 110.558 178.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.5 ' OE1' ' O ' ' B' ' 66' ' ' ASP . 53.9 mp0 -122.51 160.07 26.38 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-O 121.212 0.529 . . . . 0.0 110.945 179.554 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.407 ' HA ' ' OE1' ' B' ' 73' ' ' GLU . 73.8 t -104.07 129.85 55.64 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.591 0 N-CA-C 106.702 -1.592 . . . . 0.0 106.702 176.368 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.487 ' C ' ' OD1' ' B' ' 70' ' ' ASP . 21.1 p30 -103.76 173.14 6.43 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 120.083 -0.647 . . . . 0.0 111.274 -177.213 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -53.64 -45.59 70.24 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.205 -179.022 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -62.41 -40.72 97.43 Favored 'General case' 0 C--O 1.243 0.732 0 C-N-CA 120.164 -0.614 . . . . 0.0 111.639 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.457 ' O ' HG22 ' B' ' 76' ' ' VAL . 72.3 mt-10 -64.67 -41.96 95.72 Favored 'General case' 0 C--O 1.241 0.646 0 CA-C-O 122.322 1.058 . . . . 0.0 109.551 179.573 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 68.8 t80 -63.16 -41.21 99.21 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-N 114.375 -1.284 . . . . 0.0 110.145 178.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.603 HG13 ' HB1' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -60.77 -47.53 92.78 Favored 'Isoleucine or valine' 0 C--O 1.246 0.881 0 CA-C-N 113.666 -1.606 . . . . 0.0 110.126 -178.938 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.457 HG22 ' O ' ' B' ' 73' ' ' GLU . 15.5 m -67.34 -35.24 73.16 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 C-N-CA 117.886 -1.526 . . . . 0.0 109.244 178.708 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.593 ' O ' HD13 ' B' ' 81' ' ' LEU . 28.3 tp -56.16 -51.52 67.7 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 118.919 -1.112 . . . . 0.0 111.772 178.197 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.404 ' O ' ' OG1' ' B' ' 82' ' ' THR . 33.9 m -68.93 -35.79 70.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 C-N-CA 118.396 -1.322 . . . . 0.0 111.905 -178.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.698 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . . . -68.55 -48.58 63.92 Favored 'General case' 0 C--O 1.249 1.035 0 C-N-CA 119.015 -1.074 . . . . 0.0 111.872 -179.422 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.18 -40.09 96.53 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.593 HD13 ' O ' ' B' ' 77' ' ' LEU . 10.1 mp -65.01 -34.6 78.82 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 119.358 -0.937 . . . . 0.0 109.861 176.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.404 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 38.5 m -63.3 -50.48 69.93 Favored 'General case' 0 C--O 1.248 0.998 0 C-N-CA 119.752 -0.779 . . . . 0.0 111.342 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 13.9 p -63.58 -39.2 84.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 119.138 -1.025 . . . . 0.0 110.74 178.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.484 ' O ' ' CD2' ' B' ' 88' ' ' PHE . . . -65.03 -34.73 79.13 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 120.282 -0.567 . . . . 0.0 109.793 178.71 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 42.1 t -62.37 -54.64 37.43 Favored 'General case' 0 CA--C 1.505 -0.776 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.432 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -56.48 -40.27 74.63 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 118.733 -1.187 . . . . 0.0 109.135 179.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -59.23 -40.55 86.23 Favored 'General case' 0 C--O 1.231 0.098 0 C-N-CA 120.283 -0.567 . . . . 0.0 111.033 179.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.54 ' O ' ' O ' ' B' ' 91' ' ' GLU . 63.3 m-85 -68.13 -40.81 82.37 Favored 'General case' 0 CA--C 1.523 -0.093 0 C-N-CA 120.106 -0.638 . . . . 0.0 111.478 178.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -63.42 -53.38 53.28 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 119.71 -0.796 . . . . 0.0 111.381 -178.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 90' ' ' TRP . . . . . 0.607 ' CH2' ' OH ' ' A' ' 26' ' ' TYR . 28.7 t-105 -67.19 -40.27 86.51 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-O 120.987 0.422 . . . . 0.0 112.122 178.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . 0.54 ' O ' ' O ' ' B' ' 88' ' ' PHE . 2.9 tm-20 . . . . . 0 C--N 1.323 -0.545 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.622 -177.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 . . . . . 0 N--CA 1.462 0.166 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.588 HD23 ' O ' ' A' ' 4' ' ' LEU . 5.6 tt -65.76 -42.04 91.36 Favored 'General case' 0 C--O 1.242 0.681 0 C-N-CA 118.127 -1.429 . . . . 0.0 108.061 179.753 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.443 ' C ' ' OE1' ' A' ' 5' ' ' GLU . 6.1 tm-20 -63.9 -40.05 95.59 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 114.342 -1.299 . . . . 0.0 109.277 179.52 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 43.4 m -60.23 -40.36 89.92 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.463 178.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.73 -44.76 92.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.081 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 98.4 mtp -59.52 -41.19 89.4 Favored 'General case' 0 C--O 1.248 1.019 0 CA-C-O 121.736 0.779 . . . . 0.0 109.453 179.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -64.75 -35.68 81.85 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.139 178.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 54.3 m -64.42 -43.07 95.54 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 119.744 -0.782 . . . . 0.0 110.257 179.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 36.8 mt -62.07 -42.29 99.05 Favored 'General case' 0 C--O 1.242 0.699 0 C-N-CA 119.053 -1.059 . . . . 0.0 108.734 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.481 HG23 ' ND2' ' B' ' 86' ' ' ASN . 98.0 mt -61.72 -45.69 98.14 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 C-N-CA 119.682 -0.807 . . . . 0.0 111.216 178.51 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -62.02 -41.4 98.03 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 -178.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.8 m -73.36 -41.24 57.26 Favored 'Isoleucine or valine' 0 C--O 1.256 1.414 0 C-N-CA 119.267 -0.973 . . . . 0.0 111.185 -179.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -60.39 -47.57 85.49 Favored 'General case' 0 CA--C 1.512 -0.488 0 C-N-CA 119.107 -1.037 . . . . 0.0 109.84 177.189 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -62.7 -35.47 79.8 Favored 'General case' 0 CA--C 1.5 -0.953 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.615 178.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.552 ' O ' ' HB2' ' A' ' 21' ' ' LYS . . . -57.4 -51.36 69.73 Favored 'General case' 0 N--CA 1.435 -1.223 0 C-N-CA 118.753 -1.179 . . . . 0.0 109.599 -179.128 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.486 ' HB2' HD12 ' A' ' 36' ' ' LEU . 33.8 m80 -78.39 -54.04 6.62 Favored 'General case' 0 C--O 1.245 0.861 0 N-CA-C 114.895 1.443 . . . . 0.0 114.895 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.506 ' OG ' ' O ' ' A' ' 25' ' ' LYS . 23.1 t -57.86 -41.91 83.4 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 118.393 -1.323 . . . . 0.0 108.739 -178.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.15 -43.87 92.31 Favored Glycine 0 C--N 1.342 0.914 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.722 178.246 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.552 ' HB2' ' O ' ' A' ' 17' ' ' ALA . 7.4 ttpm? -59.77 -42.66 93.79 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 113.302 0.853 . . . . 0.0 113.302 -179.004 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.529 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 84.8 tt0 -129.72 142.76 50.65 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 -177.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.49 -130.1 49.74 Favored Glycine 0 CA--C 1.523 0.564 0 CA-C-N 115.209 -0.905 . . . . 0.0 113.406 177.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -79.27 124.99 28.9 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 114.868 -0.666 . . . . 0.0 110.119 -179.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.506 ' O ' ' OG ' ' A' ' 19' ' ' SER . 34.4 mtmt -58.36 -31.27 67.45 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.212 -0.904 . . . . 0.0 112.842 -177.563 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.621 ' OH ' ' CD2' ' B' ' 90' ' ' TRP . 93.2 m-85 -105.93 18.31 22.3 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 -177.496 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.3 tptt -140.45 139.44 35.2 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 119.662 -0.815 . . . . 0.0 109.236 178.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.9 tp -108.67 128.37 54.8 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.371 -177.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 95.1 p -103.35 165.55 10.96 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.016 -179.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -53.2 -46.83 69.18 Favored 'General case' 0 C--O 1.24 0.568 0 CA-C-O 120.936 0.398 . . . . 0.0 111.936 -178.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.434 ' HG3' ' N ' ' A' ' 32' ' ' GLU . 14.8 ptpt -60.69 -39.56 88.91 Favored 'General case' 0 N--CA 1.439 -1.011 0 C-N-CA 119.576 -0.849 . . . . 0.0 109.7 -178.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.529 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 96.9 mt-10 -68.2 -52.46 34.02 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 119.679 -0.808 . . . . 0.0 112.275 -179.493 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.402 HD22 HG21 ' A' ' 69' ' ' VAL . 0.2 OUTLIER -58.78 -36.34 74.25 Favored 'General case' 0 CA--C 1.503 -0.843 0 C-N-CA 118.316 -1.353 . . . . 0.0 110.074 -179.517 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.741 ' NZ ' HE22 ' A' ' 38' ' ' GLN . 0.3 OUTLIER -55.76 -37.69 68.85 Favored 'General case' 0 N--CA 1.435 -1.216 0 C-N-CA 117.87 -1.532 . . . . 0.0 108.425 179.725 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.851 ' O ' HG23 ' A' ' 39' ' ' THR . 97.3 mt-10 -76.2 -41.17 50.36 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 178.763 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.74 HD23 ' O ' ' A' ' 36' ' ' LEU . 3.4 tt -66.88 -46.3 75.39 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 120.256 -0.578 . . . . 0.0 112.129 -176.544 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.563 ' CD2' ' N ' ' A' ' 37' ' ' LEU . 1.2 mm? -64.79 -43.11 94.27 Favored 'General case' 0 CA--C 1.518 -0.252 0 C-N-CA 118.798 -1.161 . . . . 0.0 110.867 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.741 HE22 ' NZ ' ' A' ' 34' ' ' LYS . 95.5 mt-30 -64.42 -40.04 94.99 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.6 -0.44 . . . . 0.0 112.132 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.851 HG23 ' O ' ' A' ' 35' ' ' GLU . 62.5 p -72.39 -38.21 68.52 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 120.292 -0.563 . . . . 0.0 112.292 -179.231 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -92.65 -55.28 3.44 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 113.042 0.756 . . . . 0.0 113.042 -179.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.555 ' O ' ' O ' ' A' ' 37' ' ' LEU . 53.6 mt -101.47 142.85 32.23 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.255 0.55 . . . . 0.0 111.433 -179.011 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.4 t -112.91 -62.1 1.64 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.531 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.63 -38.84 92.44 Favored Glycine 0 CA--C 1.533 1.163 0 CA-C-N 116.079 -0.51 . . . . 0.0 114.346 -178.006 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -61.8 -53.29 57.95 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 118.117 0.959 . . . . 0.0 112.694 -177.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -73.08 -37.59 66.73 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 120.32 -0.552 . . . . 0.0 111.533 178.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 58.3 t0 -59.26 -30.34 68.21 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.962 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.8 -32.08 63.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.785 -177.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -96.78 116.93 29.98 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 119.32 -0.952 . . . . 0.0 109.268 179.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -63.79 -37.47 87.47 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 114.244 1.201 . . . . 0.0 114.244 -178.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -72.43 142.59 48.65 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -177.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.467 ' O ' HG12 ' A' ' 54' ' ' VAL . 4.9 m -72.26 -28.27 28.64 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 177.46 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -60.74 -24.41 65.7 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 114.298 -1.319 . . . . 0.0 108.912 178.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.424 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -51.85 -35.47 44.82 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.672 -1.149 . . . . 0.0 110.764 -178.13 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.614 HG13 ' N ' ' A' ' 55' ' ' ASP . 7.3 p -58.85 -44.84 91.46 Favored 'Isoleucine or valine' 0 C--O 1.236 0.393 0 C-N-CA 119.259 -0.977 . . . . 0.0 109.567 178.681 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.614 ' N ' HG13 ' A' ' 54' ' ' VAL . 92.4 m-20 -62.98 -42.07 99.73 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.923 178.614 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -59.67 -39.48 84.61 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.019 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 53' ' ' ALA . 72.0 t -65.35 -44.92 94.59 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 C-N-CA 120.412 -0.515 . . . . 0.0 110.397 179.202 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -71.14 -33.05 69.7 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 114.473 1.286 . . . . 0.0 114.473 -178.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.3 mtmm -58.21 -40.91 82.83 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 119.704 -0.798 . . . . 0.0 113.006 -177.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -71.25 -34.74 71.01 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 119.667 -0.813 . . . . 0.0 110.186 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.449 ' O ' ' CD ' ' A' ' 73' ' ' GLU . 88.1 mt -67.49 -34.71 77.7 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-N 115.508 -0.769 . . . . 0.0 112.291 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.483 ' OD1' ' OD1' ' A' ' 66' ' ' ASP . 49.2 t0 -72.08 84.65 1.0 Allowed 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 118.561 -1.255 . . . . 0.0 111.279 -177.566 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -63.51 -47.41 81.78 Favored 'General case' 0 CA--C 1.505 -0.766 0 CA-C-O 122.52 1.152 . . . . 0.0 110.738 176.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 31.9 m120 -59.33 -35.48 73.92 Favored 'General case' 0 C--N 1.3 -1.559 0 CA-C-N 112.656 -2.065 . . . . 0.0 111.336 -179.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.78 17.32 70.66 Favored Glycine 0 CA--C 1.521 0.408 0 N-CA-C 108.429 -1.869 . . . . 0.0 108.429 -177.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.525 ' O ' ' OE1' ' A' ' 68' ' ' GLU . 24.5 p-10 -86.49 0.97 53.12 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 -178.414 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 82.62 2.45 90.63 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 178.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.525 ' OE1' ' O ' ' A' ' 66' ' ' ASP . 53.0 mp0 -120.0 156.69 30.38 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-O 121.513 0.673 . . . . 0.0 112.083 179.719 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.402 HG21 HD22 ' A' ' 33' ' ' LEU . 45.5 t -106.63 131.51 56.25 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.497 0 N-CA-C 107.216 -1.402 . . . . 0.0 107.216 176.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.546 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 51.3 t0 -101.28 160.82 14.09 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.088 0.47 . . . . 0.0 111.325 -178.169 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.546 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 1.0 OUTLIER -50.3 -44.48 54.07 Favored 'General case' 0 C--O 1.218 -0.594 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.451 -178.393 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -62.22 -40.62 96.74 Favored 'General case' 0 C--O 1.245 0.861 0 C-N-CA 119.898 -0.721 . . . . 0.0 111.011 178.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.473 ' O ' HG22 ' A' ' 76' ' ' VAL . 86.5 mt-10 -64.4 -42.21 96.21 Favored 'General case' 0 C--O 1.241 0.643 0 CA-C-O 122.375 1.084 . . . . 0.0 109.531 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -63.32 -41.36 98.91 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-N 114.352 -1.295 . . . . 0.0 110.222 178.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.629 HG13 ' HB1' ' B' ' 79' ' ' ALA . 0.5 OUTLIER -60.28 -48.08 89.66 Favored 'Isoleucine or valine' 0 C--O 1.248 0.977 0 CA-C-N 113.684 -1.598 . . . . 0.0 109.816 -178.841 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.473 HG22 ' O ' ' A' ' 73' ' ' GLU . 15.8 m -67.33 -34.49 69.25 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.557 0 C-N-CA 117.911 -1.515 . . . . 0.0 109.366 178.59 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.716 ' O ' HD13 ' A' ' 81' ' ' LEU . 24.8 tp -57.29 -50.78 71.84 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 118.903 -1.119 . . . . 0.0 111.651 178.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.401 ' O ' ' OG1' ' A' ' 82' ' ' THR . 33.5 m -69.43 -35.85 68.89 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.286 0 C-N-CA 118.718 -1.193 . . . . 0.0 111.678 -179.122 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.734 ' HB2' ' HB2' ' B' ' 79' ' ' ALA . . . -68.57 -48.97 62.86 Favored 'General case' 0 C--O 1.25 1.084 0 C-N-CA 118.987 -1.085 . . . . 0.0 111.765 -179.395 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.09 -39.36 94.49 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.037 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.716 HD13 ' O ' ' A' ' 77' ' ' LEU . 10.1 mp -65.7 -34.33 77.95 Favored 'General case' 0 C--O 1.219 -0.533 0 C-N-CA 119.299 -0.96 . . . . 0.0 109.84 176.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 38.2 m -63.36 -50.21 70.85 Favored 'General case' 0 C--O 1.248 0.976 0 C-N-CA 119.723 -0.791 . . . . 0.0 111.399 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.478 ' O ' ' OD1' ' A' ' 87' ' ' ASN . 12.9 p -63.88 -39.22 84.62 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 119.127 -1.029 . . . . 0.0 110.64 178.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.78 -30.12 70.71 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-O 121.092 0.472 . . . . 0.0 109.904 178.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 34.1 t -68.36 -55.29 12.54 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 115.514 -0.767 . . . . 0.0 109.748 -179.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.49 ' ND2' HG23 ' B' ' 12' ' ' ILE . 53.7 t-20 -56.66 -40.23 75.12 Favored 'General case' 0 C--O 1.24 0.586 0 C-N-CA 118.262 -1.375 . . . . 0.0 108.496 178.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.691 ' O ' ' HB2' ' A' ' 91' ' ' GLU . 23.9 m120 -58.86 -40.37 84.11 Favored 'General case' 0 C--O 1.2 -1.509 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 177.614 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.56 ' O ' ' O ' ' A' ' 91' ' ' GLU . 68.4 t80 -63.56 -40.58 97.36 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 118.31 -1.356 . . . . 0.0 110.502 178.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -64.23 -60.76 2.81 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 120.026 -0.67 . . . . 0.0 112.294 -178.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.62 ' CD2' ' OH ' ' B' ' 26' ' ' TYR . 20.3 t-105 -69.03 -43.98 73.63 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 119.748 -0.781 . . . . 0.0 111.449 179.058 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.691 ' HB2' ' O ' ' A' ' 87' ' ' ASN . 93.8 mt-10 . . . . . 0 C--N 1.318 -0.777 0 CA-C-N 114.306 -1.315 . . . . 0.0 111.663 -179.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 . . . . . 0 C--O 1.233 0.228 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.578 HD23 ' O ' ' B' ' 4' ' ' LEU . 5.6 tt -65.65 -42.13 91.75 Favored 'General case' 0 C--O 1.241 0.629 0 C-N-CA 118.166 -1.413 . . . . 0.0 108.046 179.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . 0.448 ' OE1' ' C ' ' B' ' 5' ' ' GLU . 6.1 tm-20 -63.93 -39.99 95.42 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 114.274 -1.33 . . . . 0.0 109.231 179.616 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 44.2 m -60.3 -40.24 89.82 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.439 178.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.81 -44.75 92.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.059 179.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 98.3 mtp -59.6 -41.16 89.69 Favored 'General case' 0 C--O 1.248 1.016 0 CA-C-O 121.76 0.79 . . . . 0.0 109.529 179.114 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -64.62 -36.52 84.53 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.004 178.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 50.7 m -63.48 -43.44 97.28 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 119.852 -0.739 . . . . 0.0 110.387 179.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 41.3 mt -61.98 -42.29 98.98 Favored 'General case' 0 C--O 1.242 0.667 0 C-N-CA 119.163 -1.015 . . . . 0.0 108.727 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.49 HG23 ' ND2' ' A' ' 86' ' ' ASN . 98.0 mt -61.54 -45.8 97.89 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 C-N-CA 119.681 -0.808 . . . . 0.0 111.284 178.467 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -62.01 -41.37 98.0 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.956 0.724 . . . . 0.0 112.956 -178.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 15.0 m -73.41 -41.22 56.92 Favored 'Isoleucine or valine' 0 C--O 1.256 1.396 0 C-N-CA 119.261 -0.975 . . . . 0.0 111.143 -179.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -60.4 -47.58 85.49 Favored 'General case' 0 CA--C 1.513 -0.48 0 C-N-CA 119.074 -1.05 . . . . 0.0 109.856 177.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -62.74 -35.35 79.48 Favored 'General case' 0 CA--C 1.501 -0.934 0 CA-C-N 115.219 -0.9 . . . . 0.0 109.582 178.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.555 ' O ' ' HB2' ' B' ' 21' ' ' LYS . . . -57.48 -51.32 69.91 Favored 'General case' 0 N--CA 1.436 -1.133 0 C-N-CA 118.72 -1.192 . . . . 0.0 109.562 -179.148 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.498 ' HB2' HD12 ' B' ' 36' ' ' LEU . 33.7 m80 -78.32 -54.12 6.55 Favored 'General case' 0 C--O 1.245 0.833 0 N-CA-C 114.881 1.437 . . . . 0.0 114.881 -179.677 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.493 ' OG ' ' O ' ' B' ' 25' ' ' LYS . 23.1 t -57.82 -42.01 83.43 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 118.389 -1.324 . . . . 0.0 108.739 -178.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.14 -43.88 92.31 Favored Glycine 0 C--N 1.343 0.968 0 CA-C-N 115.185 -0.916 . . . . 0.0 111.666 178.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . 0.555 ' HB2' ' O ' ' B' ' 17' ' ' ALA . 7.4 ttpm? -59.68 -42.77 93.65 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 -179.002 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.532 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 84.7 tt0 -129.68 142.82 50.65 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 113.981 1.104 . . . . 0.0 113.981 -177.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.48 -130.19 49.9 Favored Glycine 0 CA--C 1.523 0.567 0 CA-C-N 115.222 -0.899 . . . . 0.0 113.364 177.036 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -79.18 124.99 28.86 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 114.894 -0.653 . . . . 0.0 110.082 -179.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.493 ' O ' ' OG ' ' B' ' 19' ' ' SER . 34.5 mtmt -58.34 -31.25 67.4 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.139 -0.937 . . . . 0.0 112.863 -177.636 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.62 ' OH ' ' CD2' ' A' ' 90' ' ' TRP . 93.2 m-85 -105.87 18.28 22.36 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 -177.525 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 35.7 tptt -140.39 139.55 35.34 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 119.599 -0.84 . . . . 0.0 109.343 178.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 18.0 tp -108.84 128.36 54.83 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.289 -177.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 94.3 p -103.33 165.63 10.91 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.935 -179.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -53.2 -46.87 69.21 Favored 'General case' 0 C--O 1.241 0.612 0 CA-C-O 120.903 0.382 . . . . 0.0 111.928 -178.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.438 ' HG3' ' N ' ' B' ' 32' ' ' GLU . 14.8 ptpt -60.65 -39.65 89.1 Favored 'General case' 0 N--CA 1.439 -1.001 0 C-N-CA 119.605 -0.838 . . . . 0.0 109.692 -178.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.532 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 96.9 mt-10 -68.05 -52.58 33.76 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 119.81 -0.756 . . . . 0.0 112.282 -179.548 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.4 HD22 HG21 ' B' ' 69' ' ' VAL . 0.2 OUTLIER -58.74 -36.36 74.2 Favored 'General case' 0 CA--C 1.504 -0.818 0 C-N-CA 118.312 -1.355 . . . . 0.0 110.08 -179.5 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.727 ' NZ ' HE22 ' B' ' 38' ' ' GLN . 0.3 OUTLIER -55.81 -37.63 68.9 Favored 'General case' 0 N--CA 1.434 -1.23 0 C-N-CA 117.787 -1.565 . . . . 0.0 108.42 179.77 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.853 ' O ' HG23 ' B' ' 39' ' ' THR . 97.3 mt-10 -76.16 -41.25 50.42 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 113.0 0.741 . . . . 0.0 113.0 178.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.734 HD23 ' O ' ' B' ' 36' ' ' LEU . 3.5 tt -66.86 -46.29 75.48 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 120.238 -0.585 . . . . 0.0 112.075 -176.493 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.571 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 1.2 mm? -64.91 -42.98 94.26 Favored 'General case' 0 CA--C 1.52 -0.194 0 C-N-CA 118.761 -1.176 . . . . 0.0 110.878 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.727 HE22 ' NZ ' ' B' ' 34' ' ' LYS . 95.5 mt-30 -64.55 -40.0 94.79 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.485 -0.486 . . . . 0.0 112.114 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.853 HG23 ' O ' ' B' ' 35' ' ' GLU . 63.4 p -72.3 -38.23 68.79 Favored 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 120.364 -0.534 . . . . 0.0 112.33 -179.325 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -92.66 -55.29 3.43 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 113.041 0.756 . . . . 0.0 113.041 -179.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.556 ' O ' ' O ' ' B' ' 37' ' ' LEU . 54.4 mt -101.5 142.94 32.12 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.225 0.536 . . . . 0.0 111.383 -179.023 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 7.4 t -112.95 -62.12 1.63 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.55 179.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.59 -38.93 92.55 Favored Glycine 0 CA--C 1.532 1.151 0 CA-C-N 115.939 -0.573 . . . . 0.0 114.358 -178.075 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -61.75 -53.35 57.25 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 118.11 0.955 . . . . 0.0 112.689 -177.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -73.07 -37.52 66.77 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 120.346 -0.541 . . . . 0.0 111.5 178.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 58.3 t0 -59.36 -30.26 68.28 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.999 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.81 -32.1 63.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.796 -177.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 82.6 mm-40 -96.75 116.9 29.92 Favored 'General case' 0 C--O 1.232 0.142 0 C-N-CA 119.404 -0.919 . . . . 0.0 109.343 179.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -63.77 -37.57 87.85 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 114.192 1.182 . . . . 0.0 114.192 -178.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -72.24 142.55 48.97 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 113.237 0.828 . . . . 0.0 113.237 -177.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . 0.459 ' O ' HG12 ' B' ' 54' ' ' VAL . 4.8 m -72.26 -28.28 28.64 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.13 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 177.421 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -60.69 -24.45 65.64 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 114.232 -1.349 . . . . 0.0 108.933 178.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.434 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -51.93 -35.38 45.53 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 114.704 -1.134 . . . . 0.0 110.775 -178.078 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.617 HG13 ' N ' ' B' ' 55' ' ' ASP . 7.4 p -58.88 -44.79 91.5 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 C-N-CA 119.284 -0.966 . . . . 0.0 109.583 178.632 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.617 ' N ' HG13 ' B' ' 54' ' ' VAL . 92.4 m-20 -63.11 -41.93 99.47 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.911 178.655 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -59.84 -39.42 85.08 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.995 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.434 HG23 ' O ' ' B' ' 53' ' ' ALA . 72.3 t -65.45 -44.78 94.23 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 C-N-CA 120.385 -0.526 . . . . 0.0 110.4 179.188 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -71.1 -33.15 69.9 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 114.561 1.319 . . . . 0.0 114.561 -179.116 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 12.4 mtmm -58.16 -40.92 82.63 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 119.631 -0.828 . . . . 0.0 113.041 -177.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -71.22 -34.75 71.11 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 119.67 -0.812 . . . . 0.0 110.178 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.455 ' O ' ' CD ' ' B' ' 73' ' ' GLU . 88.1 mt -67.5 -34.7 77.67 Favored 'General case' 0 CA--C 1.511 -0.552 0 CA-C-N 115.509 -0.769 . . . . 0.0 112.291 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.495 ' OD1' ' OD1' ' B' ' 66' ' ' ASP . 49.3 t0 -72.14 84.65 1.02 Allowed 'General case' 0 N--CA 1.445 -0.718 0 C-N-CA 118.537 -1.265 . . . . 0.0 111.301 -177.531 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -63.49 -47.42 81.81 Favored 'General case' 0 CA--C 1.506 -0.744 0 CA-C-O 122.517 1.151 . . . . 0.0 110.727 176.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 31.9 m120 -59.29 -35.58 74.01 Favored 'General case' 0 C--N 1.3 -1.552 0 CA-C-N 112.692 -2.049 . . . . 0.0 111.281 -179.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.82 17.33 70.54 Favored Glycine 0 CA--C 1.521 0.442 0 N-CA-C 108.487 -1.845 . . . . 0.0 108.487 -177.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.522 ' O ' ' OE1' ' B' ' 68' ' ' GLU . 24.4 p-10 -86.54 1.04 53.03 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 112.794 0.664 . . . . 0.0 112.794 -178.367 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 82.64 2.38 90.63 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 178.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.522 ' OE1' ' O ' ' B' ' 66' ' ' ASP . 52.8 mp0 -119.98 156.79 30.17 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-O 121.448 0.642 . . . . 0.0 112.125 179.702 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.4 HG21 HD22 ' B' ' 33' ' ' LEU . 45.1 t -106.55 131.56 56.03 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.546 0 N-CA-C 107.335 -1.357 . . . . 0.0 107.335 176.719 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.538 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 50.2 t0 -100.88 160.81 14.06 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.083 0.468 . . . . 0.0 111.283 -178.123 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.538 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 1.0 OUTLIER -50.44 -44.49 55.41 Favored 'General case' 0 C--O 1.218 -0.588 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.387 -178.778 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -62.28 -40.56 96.65 Favored 'General case' 0 C--O 1.244 0.778 0 C-N-CA 119.876 -0.73 . . . . 0.0 111.051 178.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.47 ' O ' HG22 ' B' ' 76' ' ' VAL . 86.5 mt-10 -64.44 -42.08 96.2 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-O 122.422 1.106 . . . . 0.0 109.615 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -63.49 -41.19 98.57 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-N 114.333 -1.303 . . . . 0.0 110.231 178.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.637 HG13 ' HB1' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -60.45 -47.88 90.74 Favored 'Isoleucine or valine' 0 C--O 1.248 0.995 0 CA-C-N 113.725 -1.579 . . . . 0.0 109.843 -178.899 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.47 HG22 ' O ' ' B' ' 73' ' ' GLU . 15.9 m -67.54 -34.36 67.83 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 C-N-CA 117.88 -1.528 . . . . 0.0 109.343 178.587 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.728 ' O ' HD13 ' B' ' 81' ' ' LEU . 25.1 tp -57.37 -50.76 71.94 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 118.902 -1.119 . . . . 0.0 111.627 178.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 33.6 m -69.38 -35.93 69.52 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.263 0 C-N-CA 118.775 -1.17 . . . . 0.0 111.664 -179.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.734 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . . . -68.54 -49.01 62.78 Favored 'General case' 0 C--O 1.25 1.129 0 C-N-CA 118.981 -1.088 . . . . 0.0 111.759 -179.378 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.02 -39.3 94.34 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.115 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.728 HD13 ' O ' ' B' ' 77' ' ' LEU . 10.1 mp -65.66 -34.43 78.2 Favored 'General case' 0 C--O 1.218 -0.571 0 C-N-CA 119.31 -0.956 . . . . 0.0 109.828 176.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 37.8 m -63.21 -50.35 70.64 Favored 'General case' 0 C--O 1.246 0.911 0 C-N-CA 119.756 -0.778 . . . . 0.0 111.327 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.494 ' O ' ' OD1' ' B' ' 87' ' ' ASN . 12.9 p -63.9 -39.19 84.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 119.069 -1.052 . . . . 0.0 110.679 178.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.68 -30.13 70.78 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 121.099 0.476 . . . . 0.0 109.993 178.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 34.0 t -68.36 -55.31 12.47 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.691 -179.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.481 ' ND2' HG23 ' A' ' 12' ' ' ILE . 53.7 t-20 -56.73 -40.21 75.31 Favored 'General case' 0 C--O 1.24 0.575 0 C-N-CA 118.372 -1.331 . . . . 0.0 108.479 179.011 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . 0.668 ' O ' ' HB2' ' B' ' 91' ' ' GLU . 24.0 m120 -58.89 -40.37 84.25 Favored 'General case' 0 C--O 1.198 -1.616 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 177.618 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.564 ' O ' ' O ' ' B' ' 91' ' ' GLU . 68.4 t80 -63.57 -40.51 97.15 Favored 'General case' 0 C--N 1.302 -1.474 0 C-N-CA 118.23 -1.388 . . . . 0.0 110.528 178.753 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -64.23 -60.8 2.77 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 120.007 -0.677 . . . . 0.0 112.317 -178.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 90' ' ' TRP . . . . . 0.621 ' CD2' ' OH ' ' A' ' 26' ' ' TYR . 20.1 t-105 -68.97 -44.02 73.76 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 119.701 -0.8 . . . . 0.0 111.434 179.012 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . 0.668 ' HB2' ' O ' ' B' ' 87' ' ' ASN . 93.7 mt-10 . . . . . 0 C--N 1.319 -0.747 0 CA-C-N 114.317 -1.31 . . . . 0.0 111.634 -179.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 . . . . . 0 C--O 1.231 0.096 0 N-CA-C 113.199 0.815 . . . . 0.0 113.199 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.723 HD23 ' O ' ' A' ' 4' ' ' LEU . 5.1 tt -64.23 -42.08 96.71 Favored 'General case' 0 C--O 1.241 0.653 0 C-N-CA 119.201 -1.0 . . . . 0.0 108.716 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.453 ' C ' ' OE1' ' A' ' 5' ' ' GLU . 6.4 tm-20 -63.72 -40.49 96.89 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 114.617 -1.174 . . . . 0.0 109.127 179.508 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 44.3 m -60.4 -39.59 87.91 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.179 178.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.59 -43.51 96.72 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.934 179.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 97.7 mtp -59.21 -41.3 88.26 Favored 'General case' 0 C--O 1.248 1.017 0 CA-C-O 121.924 0.869 . . . . 0.0 109.079 178.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -64.76 -35.35 80.78 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 114.917 -1.038 . . . . 0.0 110.151 178.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 50.3 m -64.52 -43.59 93.55 Favored 'General case' 0 N--CA 1.445 -0.681 0 C-N-CA 120.001 -0.679 . . . . 0.0 110.292 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 38.6 mt -62.24 -42.87 99.7 Favored 'General case' 0 C--O 1.24 0.565 0 C-N-CA 119.317 -0.953 . . . . 0.0 108.984 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.19 -46.18 97.04 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.118 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.49 178.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -61.98 -41.18 97.74 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 -178.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.1 m -73.51 -41.06 56.21 Favored 'Isoleucine or valine' 0 C--O 1.254 1.329 0 C-N-CA 119.138 -1.025 . . . . 0.0 111.317 -179.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -60.24 -47.06 87.6 Favored 'General case' 0 CA--C 1.514 -0.441 0 C-N-CA 119.28 -0.968 . . . . 0.0 109.491 177.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -63.33 -35.25 79.74 Favored 'General case' 0 CA--C 1.504 -0.79 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.649 177.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.56 ' O ' ' HB2' ' A' ' 21' ' ' LYS . . . -57.59 -51.2 70.48 Favored 'General case' 0 N--CA 1.436 -1.128 0 C-N-CA 118.835 -1.146 . . . . 0.0 109.621 -178.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.499 ' HB2' HD12 ' A' ' 36' ' ' LEU . 47.6 m80 -79.13 -52.86 7.61 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 114.687 1.366 . . . . 0.0 114.687 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.453 ' OG ' ' O ' ' A' ' 24' ' ' ASP . 22.7 t -57.99 -40.5 80.86 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 118.979 -1.089 . . . . 0.0 108.917 -179.081 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -71.66 -43.33 52.21 Favored Glycine 0 C--N 1.341 0.821 0 CA-C-N 115.324 -0.853 . . . . 0.0 112.486 178.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.56 ' HB2' ' O ' ' A' ' 17' ' ' ALA . 7.0 ttpm? -58.46 -44.24 89.17 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 119.941 -0.704 . . . . 0.0 111.705 -179.651 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.525 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 84.8 tt0 -135.91 139.3 43.19 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.178 -0.609 . . . . 0.0 110.832 -179.72 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.96 -163.15 52.2 Favored Glycine 0 CA--C 1.521 0.433 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 178.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.453 ' O ' ' OG ' ' A' ' 19' ' ' SER . 89.2 m-20 -67.99 142.45 55.94 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 178.729 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.434 ' HZ1' ' HH2' ' B' ' 90' ' ' TRP . 26.3 mtmt -61.1 -32.52 72.19 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.574 -0.739 . . . . 0.0 112.678 -177.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.604 ' OH ' ' CE3' ' B' ' 90' ' ' TRP . 98.8 m-85 -106.6 18.16 22.28 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 113.045 0.758 . . . . 0.0 113.045 -177.705 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.424 ' CG ' ' OE2' ' A' ' 68' ' ' GLU . 38.7 tptt -140.49 140.7 35.37 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 119.065 -1.054 . . . . 0.0 108.91 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.4 tp -117.17 131.42 56.88 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.277 -175.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 87.2 p -99.24 165.64 11.6 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 116.751 -0.204 . . . . 0.0 111.064 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.0 ttpm? -54.24 -48.39 71.17 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-O 121.226 0.536 . . . . 0.0 111.857 -177.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.586 ' HG3' ' N ' ' A' ' 32' ' ' GLU . 24.8 pttm -61.31 -47.87 83.95 Favored 'General case' 0 N--CA 1.439 -0.987 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.292 -178.722 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.586 ' N ' ' HG3' ' A' ' 31' ' ' LYS . 95.7 mt-10 -62.84 -48.91 77.01 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 120.054 -0.658 . . . . 0.0 112.09 -178.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.1 pp -61.66 -35.82 79.05 Favored 'General case' 0 CA--C 1.501 -0.929 0 C-N-CA 118.53 -1.268 . . . . 0.0 109.85 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.682 ' NZ ' ' NE2' ' A' ' 38' ' ' GLN . 1.1 tptm -55.96 -36.61 68.0 Favored 'General case' 0 N--CA 1.434 -1.226 0 C-N-CA 118.584 -1.246 . . . . 0.0 108.041 178.154 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.859 ' O ' HG23 ' A' ' 39' ' ' THR . 77.1 mm-40 -74.26 -40.41 62.37 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 179.162 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.744 HD23 ' O ' ' A' ' 36' ' ' LEU . 4.1 tt -65.7 -45.57 82.28 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 119.774 -0.77 . . . . 0.0 111.384 -177.225 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.573 ' O ' ' O ' ' A' ' 41' ' ' LEU . 1.3 mm? -64.25 -43.61 94.37 Favored 'General case' 0 N--CA 1.462 0.148 0 C-N-CA 118.941 -1.104 . . . . 0.0 111.049 179.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.682 ' NE2' ' NZ ' ' A' ' 34' ' ' LYS . 95.5 mt-30 -63.64 -39.25 93.87 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 120.454 -0.498 . . . . 0.0 111.612 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.859 HG23 ' O ' ' A' ' 35' ' ' GLU . 64.1 p -71.36 -32.87 69.03 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.571 -0.451 . . . . 0.0 111.2 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -101.86 -59.61 1.67 Allowed 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -178.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.573 ' O ' ' O ' ' A' ' 37' ' ' LEU . 51.3 mt -99.43 141.82 31.72 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.213 0.53 . . . . 0.0 111.521 -179.146 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.6 t -113.09 -59.97 1.95 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.674 179.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.92 -39.31 93.89 Favored Glycine 0 CA--C 1.531 1.088 0 CA-C-N 116.018 -0.537 . . . . 0.0 114.215 -178.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -62.02 -52.52 63.65 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 118.029 0.914 . . . . 0.0 112.729 -178.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -73.03 -38.57 66.49 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.444 -0.502 . . . . 0.0 111.769 178.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 57.0 t0 -60.2 -30.13 69.17 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.54 -179.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.17 -29.12 60.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.093 -0.503 . . . . 0.0 112.275 -177.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 90.2 mm-40 -90.66 121.37 32.51 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 119.442 -0.903 . . . . 0.0 110.169 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -62.66 -39.16 93.03 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 113.68 0.993 . . . . 0.0 113.68 -179.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -69.69 142.35 53.38 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -177.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.3 m -74.25 -27.82 22.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.422 178.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -81.98 3.83 25.06 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.213 179.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.525 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -55.84 -36.97 68.11 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.542 -179.599 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.541 HG13 ' N ' ' A' ' 55' ' ' ASP . 8.4 p -60.79 -42.01 90.68 Favored 'Isoleucine or valine' 0 C--O 1.243 0.749 0 C-N-CA 120.106 -0.638 . . . . 0.0 109.558 178.421 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.541 ' N ' HG13 ' A' ' 54' ' ' VAL . 21.8 t70 -59.89 -42.69 94.36 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.478 -0.783 . . . . 0.0 108.986 179.004 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -63.0 -37.7 88.21 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.171 -0.922 . . . . 0.0 110.239 178.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 53' ' ' ALA . 70.9 t -63.46 -45.08 98.84 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.107 0 CA-C-N 116.065 -0.516 . . . . 0.0 112.053 -178.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.554 ' CE ' ' O ' ' A' ' 67' ' ' GLY . 1.5 ptp -65.24 -31.91 73.31 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 -178.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.1 mtmm -57.85 -42.41 84.4 Favored 'General case' 0 C--O 1.231 0.118 0 C-N-CA 119.65 -0.82 . . . . 0.0 112.298 -177.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -66.79 -39.74 87.89 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.408 0.623 . . . . 0.0 110.677 178.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 65.9 mt -68.24 -33.36 74.26 Favored 'General case' 0 CA--C 1.513 -0.47 0 CA-C-N 114.842 -1.072 . . . . 0.0 112.948 -178.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.578 ' OD2' ' N ' ' A' ' 66' ' ' ASP . 40.3 t0 -77.62 99.04 5.63 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 119.005 -1.078 . . . . 0.0 112.553 -176.604 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -67.26 -47.36 70.94 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-O 122.643 1.211 . . . . 0.0 111.221 176.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 31.4 m120 -58.8 -34.86 71.96 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-N 112.41 -2.177 . . . . 0.0 113.126 -177.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.488 ' C ' ' OD2' ' A' ' 62' ' ' ASP . . . 91.74 2.33 69.78 Favored Glycine 0 CA--C 1.528 0.855 0 N-CA-C 108.35 -1.9 . . . . 0.0 108.35 -177.128 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.67 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 47.4 p30 -62.59 -33.95 76.02 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 114.214 -0.993 . . . . 0.0 112.544 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.67 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 95.57 -2.15 64.62 Favored Glycine 0 C--O 1.226 -0.353 0 N-CA-C 109.356 -1.498 . . . . 0.0 109.356 -178.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.447 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 81.8 tt0 -113.55 143.34 44.71 Favored 'General case' 0 C--O 1.243 0.754 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 179.457 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 47.2 t -97.98 135.07 33.93 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.44 0 CA-C-N 116.137 -0.483 . . . . 0.0 112.036 -175.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.563 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 53.9 t0 -100.24 158.59 15.76 Favored 'General case' 0 N--CA 1.462 0.125 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.21 -179.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.563 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 1.0 OUTLIER -50.63 -43.96 57.2 Favored 'General case' 0 C--O 1.217 -0.62 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.63 -178.563 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.413 ' HG2' HG21 ' B' ' 83' ' ' VAL . 94.2 mt-30 -61.51 -40.33 94.21 Favored 'General case' 0 C--O 1.244 0.766 0 C-N-CA 119.712 -0.795 . . . . 0.0 110.69 179.096 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.443 ' O ' HG22 ' A' ' 76' ' ' VAL . 92.2 mt-10 -65.07 -42.11 94.46 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-O 122.111 0.958 . . . . 0.0 109.925 179.745 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -63.22 -40.97 98.98 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-N 114.9 -1.046 . . . . 0.0 109.837 178.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.62 HG13 ' HB1' ' B' ' 79' ' ' ALA . 0.5 OUTLIER -60.37 -48.02 90.04 Favored 'Isoleucine or valine' 0 C--O 1.248 0.975 0 CA-C-N 113.686 -1.597 . . . . 0.0 110.135 -179.066 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.443 HG22 ' O ' ' A' ' 73' ' ' GLU . 14.4 m -67.47 -34.87 71.22 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.495 0 C-N-CA 117.747 -1.581 . . . . 0.0 109.25 178.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.627 ' O ' HD13 ' A' ' 81' ' ' LEU . 30.0 tp -56.21 -52.19 65.33 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 118.765 -1.174 . . . . 0.0 111.677 178.224 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 34.4 m -68.03 -36.61 76.12 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 C-N-CA 118.487 -1.285 . . . . 0.0 111.852 -179.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.718 ' HB2' ' HB2' ' B' ' 79' ' ' ALA . . . -68.9 -49.32 59.19 Favored 'General case' 0 C--O 1.248 1.007 0 C-N-CA 119.072 -1.051 . . . . 0.0 112.24 -179.109 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.92 -39.92 96.02 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.627 HD13 ' O ' ' A' ' 77' ' ' LEU . 10.7 mp -65.05 -34.48 78.53 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 119.213 -0.995 . . . . 0.0 109.71 176.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 40.0 m -62.95 -50.05 72.34 Favored 'General case' 0 C--O 1.243 0.754 0 C-N-CA 119.71 -0.796 . . . . 0.0 111.479 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.417 HG21 ' HG2' ' B' ' 72' ' ' GLN . 13.7 p -64.16 -39.3 85.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 119.188 -1.005 . . . . 0.0 110.693 178.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.563 ' O ' ' CD1' ' A' ' 88' ' ' PHE . . . -65.58 -30.58 71.33 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 121.1 0.476 . . . . 0.0 109.892 178.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 45.2 t -68.05 -54.42 18.42 Favored 'General case' 0 CA--C 1.511 -0.521 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.478 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 34.7 t30 -56.44 -41.1 75.89 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 118.744 -1.183 . . . . 0.0 108.721 179.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -59.49 -38.24 80.35 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.945 178.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.563 ' CD1' ' O ' ' A' ' 84' ' ' ALA . 4.5 m-30 -66.31 -41.23 90.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.864 179.394 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -64.59 -52.31 58.21 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.191 -0.604 . . . . 0.0 111.408 -179.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.591 ' CE3' ' OH ' ' B' ' 26' ' ' TYR . 22.8 t-105 -66.65 -39.48 88.26 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-O 121.232 0.539 . . . . 0.0 112.023 179.155 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.54 ' O ' ' O ' ' A' ' 88' ' ' PHE . 4.8 tm-20 . . . . . 0 C--N 1.321 -0.659 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.935 -176.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 . . . . . 0 C--O 1.231 0.12 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.733 HD23 ' O ' ' B' ' 4' ' ' LEU . 5.1 tt -64.26 -42.02 96.67 Favored 'General case' 0 C--O 1.24 0.601 0 C-N-CA 119.222 -0.991 . . . . 0.0 108.72 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . 0.452 ' OE1' ' C ' ' B' ' 5' ' ' GLU . 6.4 tm-20 -63.79 -40.48 96.77 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 114.586 -1.188 . . . . 0.0 109.034 179.526 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 44.3 m -60.42 -39.53 87.78 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.208 178.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.51 -43.54 96.9 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.964 179.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 97.7 mtp -59.35 -41.25 88.77 Favored 'General case' 0 C--O 1.25 1.101 0 CA-C-O 121.81 0.814 . . . . 0.0 109.07 178.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -64.74 -36.17 83.42 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.009 178.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 50.3 m -63.65 -43.78 95.76 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 119.922 -0.711 . . . . 0.0 110.455 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 43.8 mt -62.31 -42.75 99.63 Favored 'General case' 0 C--O 1.24 0.589 0 C-N-CA 119.367 -0.933 . . . . 0.0 108.995 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.18 -46.11 97.19 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.481 178.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -61.97 -41.26 97.81 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -178.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 14.1 m -73.49 -40.99 56.32 Favored 'Isoleucine or valine' 0 C--O 1.254 1.321 0 C-N-CA 119.092 -1.043 . . . . 0.0 111.275 -179.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -60.33 -47.08 87.59 Favored 'General case' 0 CA--C 1.512 -0.491 0 C-N-CA 119.322 -0.951 . . . . 0.0 109.444 177.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -63.38 -35.09 79.26 Favored 'General case' 0 CA--C 1.502 -0.866 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.692 177.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.549 ' O ' ' HB2' ' B' ' 21' ' ' LYS . . . -57.64 -51.17 70.62 Favored 'General case' 0 N--CA 1.437 -1.111 0 C-N-CA 118.832 -1.147 . . . . 0.0 109.62 -178.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.536 ' HB2' HD12 ' B' ' 36' ' ' LEU . 47.4 m80 -79.12 -52.95 7.5 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 114.671 1.36 . . . . 0.0 114.671 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.424 ' OG ' ' O ' ' B' ' 24' ' ' ASP . 22.6 t -57.86 -40.61 80.58 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 119.022 -1.071 . . . . 0.0 108.989 -179.164 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -71.61 -43.35 52.56 Favored Glycine 0 C--N 1.341 0.81 0 CA-C-N 115.336 -0.847 . . . . 0.0 112.47 178.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . 0.549 ' HB2' ' O ' ' B' ' 17' ' ' ALA . 7.0 ttpm? -58.58 -44.13 89.67 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 119.95 -0.7 . . . . 0.0 111.638 -179.575 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.534 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 84.7 tt0 -135.93 139.25 43.12 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.303 -0.559 . . . . 0.0 110.962 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.93 -163.06 52.17 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 178.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . 0.424 ' O ' ' OG ' ' B' ' 19' ' ' SER . 88.9 m-20 -68.05 142.47 55.86 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 178.711 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 26.2 mtmt -61.17 -32.54 72.28 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.54 -0.755 . . . . 0.0 112.588 -177.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.591 ' OH ' ' CE3' ' A' ' 90' ' ' TRP . 98.7 m-85 -106.47 18.15 22.35 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 -177.75 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.422 ' CG ' ' OE2' ' B' ' 68' ' ' GLU . 39.6 tptt -140.41 140.82 35.54 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 119.083 -1.047 . . . . 0.0 109.044 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 14.5 tp -117.29 131.5 56.8 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.184 -175.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 87.4 p -99.35 165.64 11.57 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 116.792 -0.185 . . . . 0.0 111.078 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 5.0 ttpm? -54.28 -48.41 71.28 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 121.218 0.532 . . . . 0.0 111.908 -177.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.579 ' HG3' ' N ' ' B' ' 32' ' ' GLU . 24.8 pttm -61.34 -47.82 84.14 Favored 'General case' 0 N--CA 1.439 -0.999 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.263 -178.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.579 ' N ' ' HG3' ' B' ' 31' ' ' LYS . 95.7 mt-10 -62.74 -49.02 76.67 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 120.01 -0.676 . . . . 0.0 112.097 -178.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.1 pp -61.55 -35.94 79.2 Favored 'General case' 0 CA--C 1.5 -0.959 0 C-N-CA 118.53 -1.268 . . . . 0.0 109.841 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.694 ' NZ ' HE22 ' B' ' 38' ' ' GLN . 1.0 OUTLIER -55.82 -36.63 67.67 Favored 'General case' 0 N--CA 1.434 -1.263 0 C-N-CA 118.597 -1.241 . . . . 0.0 108.198 178.146 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.875 ' O ' HG23 ' B' ' 39' ' ' THR . 77.2 mm-40 -74.27 -40.41 62.35 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 179.118 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.746 HD23 ' O ' ' B' ' 36' ' ' LEU . 4.2 tt -65.62 -45.64 82.35 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 119.773 -0.771 . . . . 0.0 111.428 -177.215 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.574 ' O ' ' O ' ' B' ' 41' ' ' LEU . 1.3 mm? -64.25 -43.57 94.48 Favored 'General case' 0 N--CA 1.462 0.175 0 C-N-CA 118.89 -1.124 . . . . 0.0 111.083 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.694 HE22 ' NZ ' ' B' ' 34' ' ' LYS . 95.5 mt-30 -63.62 -39.27 93.93 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.486 -0.486 . . . . 0.0 111.648 179.671 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.875 HG23 ' O ' ' B' ' 35' ' ' GLU . 64.6 p -71.38 -32.87 68.98 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.578 -0.449 . . . . 0.0 111.181 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -101.8 -59.65 1.67 Allowed 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 113.361 0.875 . . . . 0.0 113.361 -178.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.574 ' O ' ' O ' ' B' ' 37' ' ' LEU . 51.8 mt -99.52 141.73 31.93 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.271 0.558 . . . . 0.0 111.506 -179.075 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 2.6 t -112.99 -59.92 1.95 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.73 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.96 -39.36 94.06 Favored Glycine 0 CA--C 1.531 1.051 0 CA-C-N 115.973 -0.558 . . . . 0.0 114.136 -178.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -62.11 -52.41 63.99 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 118.052 0.926 . . . . 0.0 112.726 -177.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -73.04 -38.58 66.46 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 120.394 -0.522 . . . . 0.0 111.727 178.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 57.0 t0 -60.21 -30.04 69.13 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.617 -179.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.22 -29.14 60.57 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.338 0.495 . . . . 0.0 112.338 -177.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 90.2 mm-40 -90.55 121.35 32.41 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 119.439 -0.905 . . . . 0.0 110.179 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -62.66 -39.18 93.1 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 -179.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -69.7 142.34 53.36 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -177.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 4.4 m -74.3 -27.72 21.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.39 178.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -82.01 3.81 25.23 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.214 179.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.527 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -55.88 -36.9 68.15 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.519 -179.541 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.543 HG13 ' N ' ' B' ' 55' ' ' ASP . 8.4 p -60.72 -41.99 90.38 Favored 'Isoleucine or valine' 0 C--O 1.244 0.787 0 C-N-CA 120.144 -0.622 . . . . 0.0 109.605 178.328 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.543 ' N ' HG13 ' B' ' 54' ' ' VAL . 21.9 t70 -59.92 -42.79 94.68 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.466 -0.788 . . . . 0.0 108.917 179.012 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -62.81 -37.89 88.52 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.175 178.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.527 HG23 ' O ' ' B' ' 53' ' ' ALA . 71.0 t -63.48 -45.02 98.98 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.054 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.039 -178.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.542 ' CE ' ' O ' ' B' ' 67' ' ' GLY . 1.5 ptp -65.39 -31.75 73.02 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 113.345 0.869 . . . . 0.0 113.345 -178.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 19.2 mtmm -57.87 -42.43 84.55 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 119.694 -0.803 . . . . 0.0 112.27 -177.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -66.83 -39.62 87.72 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.455 0.645 . . . . 0.0 110.724 178.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 65.9 mt -68.3 -33.39 74.24 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 114.928 -1.033 . . . . 0.0 112.948 -178.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.581 ' OD2' ' N ' ' B' ' 66' ' ' ASP . 40.3 t0 -77.56 98.99 5.56 Favored 'General case' 0 C--N 1.319 -0.748 0 C-N-CA 119.04 -1.064 . . . . 0.0 112.535 -176.578 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -67.26 -47.27 71.22 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-O 122.646 1.213 . . . . 0.0 111.221 176.07 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 31.4 m120 -58.92 -34.82 72.14 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-N 112.45 -2.159 . . . . 0.0 113.029 -177.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.483 ' C ' ' OD2' ' B' ' 62' ' ' ASP . . . 91.63 2.39 69.99 Favored Glycine 0 CA--C 1.528 0.845 0 N-CA-C 108.332 -1.907 . . . . 0.0 108.332 -177.064 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.666 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 47.2 p30 -62.64 -33.93 76.02 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 114.24 -0.98 . . . . 0.0 112.514 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.666 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 95.58 -2.18 64.62 Favored Glycine 0 C--O 1.226 -0.347 0 N-CA-C 109.337 -1.505 . . . . 0.0 109.337 -178.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.425 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 82.0 tt0 -113.55 143.38 44.64 Favored 'General case' 0 C--O 1.243 0.73 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.531 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 47.4 t -98.01 135.03 34.14 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.392 0 CA-C-N 116.155 -0.475 . . . . 0.0 112.023 -175.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.562 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 53.3 t0 -99.99 158.62 15.69 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.131 -179.559 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.562 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 1.0 OUTLIER -50.77 -43.98 58.6 Favored 'General case' 0 C--O 1.217 -0.62 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.57 -178.743 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.417 ' HG2' HG21 ' A' ' 83' ' ' VAL . 94.2 mt-30 -61.42 -40.37 94.19 Favored 'General case' 0 C--O 1.243 0.753 0 C-N-CA 119.691 -0.803 . . . . 0.0 110.727 179.046 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.444 ' O ' HG22 ' B' ' 76' ' ' VAL . 92.3 mt-10 -65.04 -42.13 94.58 Favored 'General case' 0 C--O 1.243 0.711 0 CA-C-O 122.139 0.971 . . . . 0.0 109.902 179.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -63.2 -41.0 99.1 Favored 'General case' 0 C--O 1.241 0.626 0 CA-C-N 114.854 -1.066 . . . . 0.0 109.82 178.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.602 HG13 ' HB1' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -60.36 -48.08 89.78 Favored 'Isoleucine or valine' 0 C--O 1.248 0.99 0 CA-C-N 113.689 -1.596 . . . . 0.0 110.174 -179.084 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.444 HG22 ' O ' ' B' ' 73' ' ' GLU . 14.5 m -67.37 -34.88 71.6 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.544 0 C-N-CA 117.762 -1.575 . . . . 0.0 109.324 178.751 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.632 ' O ' HD13 ' B' ' 81' ' ' LEU . 30.3 tp -56.24 -52.18 65.38 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 118.758 -1.177 . . . . 0.0 111.619 178.239 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 34.5 m -68.07 -36.61 76.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 118.413 -1.315 . . . . 0.0 111.828 -178.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.718 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . . . -68.85 -49.28 59.69 Favored 'General case' 0 C--O 1.248 0.975 0 C-N-CA 118.975 -1.09 . . . . 0.0 112.3 -179.135 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.92 -39.86 95.85 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.632 HD13 ' O ' ' B' ' 77' ' ' LEU . 10.7 mp -65.06 -34.52 78.62 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 119.204 -0.998 . . . . 0.0 109.751 176.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 40.3 m -63.0 -49.95 72.66 Favored 'General case' 0 C--O 1.244 0.803 0 C-N-CA 119.678 -0.809 . . . . 0.0 111.438 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.413 HG21 ' HG2' ' A' ' 72' ' ' GLN . 13.7 p -64.21 -39.2 84.67 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 119.167 -1.013 . . . . 0.0 110.751 178.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.574 ' O ' ' CD1' ' B' ' 88' ' ' PHE . . . -65.58 -30.58 71.33 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 121.13 0.491 . . . . 0.0 109.96 178.717 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 44.8 t -68.06 -54.45 18.22 Favored 'General case' 0 CA--C 1.511 -0.526 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.495 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 34.7 t30 -56.37 -41.13 75.67 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 118.713 -1.195 . . . . 0.0 108.697 178.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -59.5 -38.22 80.34 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.939 178.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.574 ' CD1' ' O ' ' B' ' 84' ' ' ALA . 4.5 m-30 -66.42 -41.14 89.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.866 179.423 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -64.59 -52.35 58.0 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.214 -0.594 . . . . 0.0 111.404 -179.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 90' ' ' TRP . . . . . 0.604 ' CE3' ' OH ' ' A' ' 26' ' ' TYR . 22.9 t-105 -66.66 -39.33 88.13 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 121.153 0.501 . . . . 0.0 111.998 179.161 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . 0.554 ' O ' ' O ' ' B' ' 88' ' ' PHE . 4.8 tm-20 . . . . . 0 C--N 1.321 -0.64 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.842 -176.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 42.7 tp10 . . . . . 0 C--O 1.237 0.437 0 CA-C-O 121.119 0.485 . . . . 0.0 109.743 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.735 HD23 ' O ' ' A' ' 4' ' ' LEU . 4.8 tt -59.67 -39.82 85.73 Favored 'General case' 0 C--O 1.238 0.493 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 178.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.448 ' C ' ' OE1' ' A' ' 5' ' ' GLU . 5.6 tm-20 -61.63 -39.91 93.0 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 114.571 -1.195 . . . . 0.0 108.993 179.171 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 41.7 m -60.4 -40.84 92.37 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 108.96 -0.755 . . . . 0.0 108.96 178.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.07 -40.42 97.61 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 120.113 -0.635 . . . . 0.0 109.887 179.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 98.4 mtp -59.53 -41.28 89.64 Favored 'General case' 0 C--O 1.251 1.181 0 CA-C-O 122.133 0.968 . . . . 0.0 108.596 178.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -64.0 -35.44 80.72 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 114.63 -1.168 . . . . 0.0 109.662 177.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 73.6 m -63.86 -44.1 94.13 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 120.211 -0.596 . . . . 0.0 110.879 179.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 35.8 mt -62.18 -42.16 99.02 Favored 'General case' 0 C--O 1.239 0.538 0 C-N-CA 119.34 -0.944 . . . . 0.0 108.463 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.7 mt -61.76 -45.44 98.67 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.4 178.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -62.22 -41.98 98.88 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 -178.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.5 m -74.12 -41.24 51.91 Favored 'Isoleucine or valine' 0 C--O 1.253 1.288 0 C-N-CA 119.152 -1.019 . . . . 0.0 111.494 -179.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -60.82 -46.96 88.48 Favored 'General case' 0 CA--C 1.51 -0.586 0 C-N-CA 119.261 -0.976 . . . . 0.0 109.393 177.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -63.34 -35.69 81.23 Favored 'General case' 0 CA--C 1.5 -0.968 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.951 177.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.544 ' O ' ' HB2' ' A' ' 21' ' ' LYS . . . -57.75 -51.47 69.42 Favored 'General case' 0 N--CA 1.434 -1.266 0 C-N-CA 118.753 -1.179 . . . . 0.0 109.632 -178.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.493 ' CD2' ' HG ' ' A' ' 36' ' ' LEU . 29.9 m-70 -79.11 -52.5 8.1 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.479 ' O ' ' O ' ' A' ' 22' ' ' GLU . 23.1 t -58.09 -40.72 81.84 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 119.232 -0.987 . . . . 0.0 109.222 -179.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -70.63 -43.62 59.78 Favored Glycine 0 C--N 1.345 1.072 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.137 178.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.544 ' HB2' ' O ' ' A' ' 17' ' ' ALA . 6.1 ttpm? -58.46 -42.38 87.32 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 119.816 -0.754 . . . . 0.0 111.317 -179.515 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.479 ' O ' ' O ' ' A' ' 19' ' ' SER . 77.2 mm-40 -129.97 150.17 51.37 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 120.808 -0.357 . . . . 0.0 111.63 179.21 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.97 -151.76 25.51 Favored Glycine 0 CA--C 1.524 0.64 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.949 178.062 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.426 ' O ' ' OG ' ' A' ' 19' ' ' SER . 89.2 m-20 -72.68 140.65 48.03 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 121.213 0.53 . . . . 0.0 110.434 179.407 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.447 ' HB2' ' CD2' ' A' ' 26' ' ' TYR . 47.9 mttm -61.37 -32.73 72.64 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.814 -178.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.603 ' OH ' ' CG ' ' B' ' 90' ' ' TRP . 98.6 m-85 -103.11 16.0 27.8 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.038 -0.983 . . . . 0.0 113.262 -175.437 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.426 ' CG ' ' OE2' ' A' ' 68' ' ' GLU . 41.1 tptt -143.01 141.85 31.45 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 119.148 -1.021 . . . . 0.0 108.841 179.135 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.7 tp -116.16 132.13 56.75 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 120.709 -0.396 . . . . 0.0 111.165 -176.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.2 t -101.86 160.59 14.35 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.827 -179.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.1 ttpt -52.46 -45.91 66.28 Favored 'General case' 0 CA--C 1.509 -0.597 0 C-N-CA 120.473 -0.491 . . . . 0.0 111.086 -178.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.43 ' HG3' ' N ' ' A' ' 32' ' ' GLU . 1.4 ptpm? -61.28 -40.97 96.11 Favored 'General case' 0 N--CA 1.436 -1.138 0 C-N-CA 119.695 -0.802 . . . . 0.0 110.01 -178.433 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.441 ' OE2' ' C ' ' A' ' 22' ' ' GLU . 94.4 mt-10 -70.48 -53.45 16.25 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 119.888 -0.725 . . . . 0.0 112.46 -178.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.6 pp -59.25 -36.76 76.08 Favored 'General case' 0 CA--C 1.5 -0.958 0 C-N-CA 119.578 -0.849 . . . . 0.0 110.758 -178.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.775 ' NZ ' HE21 ' A' ' 38' ' ' GLN . 14.7 tptp -56.42 -37.13 69.78 Favored 'General case' 0 N--CA 1.433 -1.296 0 C-N-CA 118.24 -1.384 . . . . 0.0 108.208 178.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.882 ' O ' HG23 ' A' ' 39' ' ' THR . 97.2 mt-10 -74.99 -40.15 60.84 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 179.259 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.75 HD23 ' O ' ' A' ' 36' ' ' LEU . 4.2 tt -64.95 -45.06 87.3 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 119.75 -0.78 . . . . 0.0 111.025 -177.622 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.559 ' O ' ' O ' ' A' ' 41' ' ' LEU . 1.7 mm? -64.62 -43.53 93.46 Favored 'General case' 0 C--N 1.343 0.284 0 C-N-CA 118.962 -1.095 . . . . 0.0 111.065 179.645 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.775 HE21 ' NZ ' ' A' ' 34' ' ' LYS . 97.7 mt-30 -62.78 -38.55 91.07 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 120.207 -0.597 . . . . 0.0 111.174 179.378 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.882 HG23 ' O ' ' A' ' 35' ' ' GLU . 62.3 p -71.14 -33.36 70.0 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.556 -0.458 . . . . 0.0 111.268 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -102.15 -60.58 1.51 Allowed 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 113.075 0.769 . . . . 0.0 113.075 -179.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.559 ' O ' ' O ' ' A' ' 37' ' ' LEU . 52.2 mt -98.61 141.25 31.68 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.365 0.603 . . . . 0.0 111.727 -178.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.2 t -114.37 -57.89 2.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.519 179.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.58 -39.69 93.59 Favored Glycine 0 CA--C 1.531 1.033 0 CA-C-N 116.068 -0.515 . . . . 0.0 113.942 -178.258 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -62.79 -53.01 60.78 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 118.001 0.9 . . . . 0.0 112.604 -178.204 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -73.53 -39.37 64.82 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 120.386 -0.525 . . . . 0.0 111.639 178.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 58.7 t0 -60.73 -30.33 69.91 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.525 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.24 -29.68 61.37 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.123 -0.49 . . . . 0.0 112.035 -177.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.7 mm-40 -91.91 118.65 30.94 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 119.403 -0.919 . . . . 0.0 109.911 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.3 tttt -63.01 -39.39 94.61 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 -178.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -69.69 142.58 53.34 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -177.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.5 m -73.49 -27.26 23.2 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.087 178.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -76.41 -1.76 28.62 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.419 179.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.543 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -56.47 -37.17 69.95 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.026 -179.324 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.59 HG13 ' N ' ' A' ' 55' ' ' ASP . 7.2 p -59.99 -43.92 93.54 Favored 'Isoleucine or valine' 0 C--O 1.241 0.641 0 C-N-CA 120.001 -0.68 . . . . 0.0 110.038 178.651 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.59 ' N ' HG13 ' A' ' 54' ' ' VAL . 94.0 m-20 -61.01 -41.03 95.75 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.116 178.619 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -62.02 -38.08 87.3 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.86 178.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 53' ' ' ALA . 76.3 t -65.57 -46.06 90.67 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.11 0 N-CA-C 112.984 0.735 . . . . 0.0 112.984 -178.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.537 ' CE ' ' O ' ' A' ' 67' ' ' GLY . 1.9 ptp -66.69 -34.83 78.73 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 119.235 -0.986 . . . . 0.0 113.224 -177.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 35.9 mmtt -58.93 -41.46 87.41 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 119.277 -0.969 . . . . 0.0 112.131 -178.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -66.17 -41.79 89.81 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.001 -0.68 . . . . 0.0 110.922 179.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 75.2 mt -68.94 -33.79 74.3 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.083 -0.962 . . . . 0.0 112.778 -179.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.658 ' OD2' ' N ' ' A' ' 66' ' ' ASP . 50.8 t0 -79.64 101.3 8.27 Favored 'General case' 0 C--N 1.316 -0.875 0 C-N-CA 119.795 -0.762 . . . . 0.0 112.924 -175.674 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -66.67 -46.23 76.36 Favored 'General case' 0 CA--C 1.51 -0.572 0 CA-C-O 122.713 1.244 . . . . 0.0 111.211 176.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -58.33 -33.67 69.76 Favored 'General case' 0 C--N 1.301 -1.543 0 CA-C-N 112.286 -2.234 . . . . 0.0 112.771 -177.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 84.95 16.42 65.29 Favored Glycine 0 CA--C 1.527 0.842 0 N-CA-C 108.689 -1.764 . . . . 0.0 108.689 -177.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.658 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 47.0 p30 -85.04 4.45 33.88 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 114.627 -0.786 . . . . 0.0 112.082 -179.075 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.618 ' N ' ' OD2' ' A' ' 62' ' ' ASP . . . 62.5 -4.27 0.68 Allowed Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.716 -0.954 . . . . 0.0 110.716 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.544 ' H ' ' C ' ' A' ' 66' ' ' ASP . 82.8 tt0 -110.43 143.44 40.73 Favored 'General case' 0 C--O 1.243 0.731 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 -179.606 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 62.0 t -100.02 135.1 37.19 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.753 0 CA-C-N 116.188 -0.46 . . . . 0.0 112.061 -176.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.55 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 52.9 t0 -99.59 159.33 15.12 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 121.312 0.577 . . . . 0.0 111.238 -179.304 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.55 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 1.0 OUTLIER -50.73 -44.34 58.28 Favored 'General case' 0 C--O 1.22 -0.488 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.76 -178.528 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.423 ' HG2' HG21 ' B' ' 83' ' ' VAL . 94.2 mt-30 -61.6 -40.56 95.22 Favored 'General case' 0 C--O 1.244 0.797 0 C-N-CA 119.752 -0.779 . . . . 0.0 110.763 179.045 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.461 ' O ' HG22 ' A' ' 76' ' ' VAL . 92.3 mt-10 -64.81 -42.15 95.23 Favored 'General case' 0 C--O 1.242 0.7 0 CA-C-O 122.229 1.014 . . . . 0.0 110.0 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -63.21 -41.05 99.1 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-N 114.718 -1.128 . . . . 0.0 109.816 178.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.621 HG13 ' HB1' ' B' ' 79' ' ' ALA . 0.5 OUTLIER -59.96 -48.16 88.88 Favored 'Isoleucine or valine' 0 C--O 1.248 1.003 0 CA-C-N 113.589 -1.641 . . . . 0.0 110.132 -179.138 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.461 HG22 ' O ' ' A' ' 73' ' ' GLU . 15.3 m -67.26 -35.15 73.16 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.563 0 C-N-CA 117.83 -1.548 . . . . 0.0 109.406 178.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.569 ' O ' HD13 ' A' ' 81' ' ' LEU . 33.1 tp -56.3 -51.97 66.25 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 118.813 -1.155 . . . . 0.0 111.861 178.194 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 34.4 m -68.75 -36.2 73.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 C-N-CA 118.415 -1.314 . . . . 0.0 111.952 -178.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.711 ' HB2' ' HB2' ' B' ' 79' ' ' ALA . . . -68.73 -48.79 62.92 Favored 'General case' 0 C--O 1.249 1.048 0 C-N-CA 118.951 -1.1 . . . . 0.0 112.108 -179.432 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.89 -40.44 97.55 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 179.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.569 HD13 ' O ' ' A' ' 77' ' ' LEU . 10.6 mp -65.37 -33.81 76.84 Favored 'General case' 0 C--O 1.216 -0.692 0 C-N-CA 119.141 -1.024 . . . . 0.0 109.913 176.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 43.9 m -62.81 -50.18 72.02 Favored 'General case' 0 C--O 1.247 0.931 0 C-N-CA 119.646 -0.822 . . . . 0.0 111.171 179.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.432 HG21 ' HG2' ' B' ' 72' ' ' GLN . 13.9 p -63.59 -39.41 85.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.575 0 C-N-CA 118.942 -1.103 . . . . 0.0 110.66 178.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.428 ' O ' ' CD2' ' A' ' 88' ' ' PHE . . . -64.62 -33.78 76.73 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 121.145 0.498 . . . . 0.0 109.826 178.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 47.3 t -63.54 -54.13 41.05 Favored 'General case' 0 CA--C 1.506 -0.72 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.242 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -55.86 -40.47 72.95 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 118.484 -1.286 . . . . 0.0 108.62 178.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.69 ' O ' ' HB2' ' A' ' 91' ' ' GLU . 2.9 m120 -59.89 -41.96 92.76 Favored 'General case' 0 C--O 1.202 -1.445 0 C-N-CA 120.162 -0.615 . . . . 0.0 110.55 178.539 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.533 ' O ' ' O ' ' A' ' 91' ' ' GLU . 76.1 m-85 -66.78 -35.39 79.96 Favored 'General case' 0 C--N 1.31 -1.139 0 C-N-CA 117.198 -1.801 . . . . 0.0 110.696 178.72 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -64.68 -61.5 2.15 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 119.657 -0.817 . . . . 0.0 111.832 -178.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.615 ' CG ' ' OH ' ' B' ' 26' ' ' TYR . 17.8 t-105 -69.43 -43.59 73.03 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.691 0.757 . . . . 0.0 111.433 178.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.69 ' HB2' ' O ' ' A' ' 87' ' ' ASN . 96.2 mt-10 . . . . . 0 C--N 1.32 -0.708 0 CA-C-N 114.344 -1.298 . . . . 0.0 111.475 -178.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 42.5 tp10 . . . . . 0 C--O 1.238 0.464 0 CA-C-O 121.071 0.462 . . . . 0.0 109.757 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.722 HD23 ' O ' ' B' ' 4' ' ' LEU . 4.8 tt -59.7 -39.82 85.85 Favored 'General case' 0 C--O 1.238 0.448 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 178.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . 0.459 ' OE1' ' C ' ' B' ' 5' ' ' GLU . 5.6 tm-20 -61.64 -39.88 92.9 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 114.548 -1.205 . . . . 0.0 108.99 179.177 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 41.2 m -60.37 -40.76 91.97 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 178.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.11 -40.51 97.84 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.915 179.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 98.5 mtp -59.47 -41.25 89.3 Favored 'General case' 0 C--O 1.252 1.236 0 CA-C-O 122.088 0.947 . . . . 0.0 108.652 178.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -64.0 -36.0 82.56 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 114.704 -1.134 . . . . 0.0 109.533 177.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 71.0 m -63.22 -44.24 95.85 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 120.143 -0.623 . . . . 0.0 111.071 179.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 40.4 mt -62.19 -42.14 99.0 Favored 'General case' 0 C--O 1.24 0.56 0 C-N-CA 119.276 -0.97 . . . . 0.0 108.422 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.7 mt -61.71 -45.44 98.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.518 178.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -62.21 -41.89 98.8 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 -178.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 15.6 m -74.11 -41.34 51.93 Favored 'Isoleucine or valine' 0 C--O 1.253 1.258 0 C-N-CA 119.256 -0.977 . . . . 0.0 111.432 -179.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -60.77 -47.05 88.09 Favored 'General case' 0 CA--C 1.512 -0.51 0 C-N-CA 119.257 -0.977 . . . . 0.0 109.397 177.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -63.17 -35.79 81.49 Favored 'General case' 0 CA--C 1.501 -0.932 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.973 177.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.54 ' O ' ' HB2' ' B' ' 21' ' ' LYS . . . -57.73 -51.5 69.29 Favored 'General case' 0 N--CA 1.434 -1.272 0 C-N-CA 118.721 -1.191 . . . . 0.0 109.63 -178.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.508 ' HB2' HD12 ' B' ' 36' ' ' LEU . 30.0 m-70 -78.9 -52.66 7.98 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 114.603 1.334 . . . . 0.0 114.603 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.486 ' OG ' ' O ' ' B' ' 24' ' ' ASP . 23.1 t -58.09 -40.76 81.95 Favored 'General case' 0 C--O 1.233 0.209 0 C-N-CA 119.17 -1.012 . . . . 0.0 109.229 -178.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -70.6 -43.62 60.0 Favored Glycine 0 C--N 1.344 1.002 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.031 178.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . 0.54 ' HB2' ' O ' ' B' ' 17' ' ' ALA . 6.0 ttpm? -58.6 -42.33 87.85 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 119.854 -0.738 . . . . 0.0 111.259 -179.413 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.482 ' O ' ' O ' ' B' ' 19' ' ' SER . 77.3 mm-40 -129.97 150.04 51.42 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 120.818 -0.353 . . . . 0.0 111.749 179.16 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.98 -151.73 25.61 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.892 -0.483 . . . . 0.0 111.892 178.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . 0.486 ' O ' ' OG ' ' B' ' 19' ' ' SER . 89.2 m-20 -72.63 140.51 48.02 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.155 0.502 . . . . 0.0 110.514 179.425 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.451 ' C ' ' OG ' ' B' ' 19' ' ' SER . 47.9 mttm -61.31 -32.73 72.59 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.853 -178.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.615 ' OH ' ' CG ' ' A' ' 90' ' ' TRP . 98.6 m-85 -103.05 15.98 27.91 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.016 -0.993 . . . . 0.0 113.247 -175.511 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.416 ' CG ' ' OE2' ' B' ' 68' ' ' GLU . 41.7 tptt -142.94 141.87 31.56 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 119.133 -1.027 . . . . 0.0 108.874 179.146 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 12.7 tp -116.19 132.09 56.76 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 120.641 -0.424 . . . . 0.0 111.13 -176.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 25.9 t -101.81 160.53 14.4 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 -179.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 22.1 ttpt -52.37 -45.94 65.99 Favored 'General case' 0 CA--C 1.51 -0.594 0 C-N-CA 120.476 -0.49 . . . . 0.0 111.111 -178.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.436 ' HG3' ' N ' ' B' ' 32' ' ' GLU . 1.4 ptpm? -61.38 -40.86 95.9 Favored 'General case' 0 N--CA 1.437 -1.09 0 C-N-CA 119.668 -0.813 . . . . 0.0 109.967 -178.395 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.443 ' OE2' ' C ' ' B' ' 22' ' ' GLU . 94.4 mt-10 -70.61 -53.33 16.34 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 119.99 -0.684 . . . . 0.0 112.417 -178.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 2.6 pp -59.33 -36.8 76.32 Favored 'General case' 0 CA--C 1.501 -0.923 0 C-N-CA 119.553 -0.859 . . . . 0.0 110.814 -178.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.768 ' NZ ' HE21 ' B' ' 38' ' ' GLN . 14.7 tptp -56.35 -37.07 69.52 Favored 'General case' 0 N--CA 1.433 -1.297 0 C-N-CA 118.085 -1.446 . . . . 0.0 108.306 178.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.891 ' O ' HG23 ' B' ' 39' ' ' THR . 97.3 mt-10 -75.05 -40.1 60.55 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 179.269 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.742 HD23 ' O ' ' B' ' 36' ' ' LEU . 4.2 tt -64.97 -45.13 86.95 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 119.805 -0.758 . . . . 0.0 110.961 -177.594 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.565 ' O ' ' O ' ' B' ' 41' ' ' LEU . 1.7 mm? -64.54 -43.58 93.55 Favored 'General case' 0 C--N 1.343 0.287 0 C-N-CA 118.937 -1.105 . . . . 0.0 111.13 179.642 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.768 HE21 ' NZ ' ' B' ' 34' ' ' LYS . 97.8 mt-30 -62.78 -38.53 90.98 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 120.212 -0.595 . . . . 0.0 111.16 179.394 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.891 HG23 ' O ' ' B' ' 35' ' ' GLU . 63.6 p -71.16 -33.26 69.86 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.53 -0.468 . . . . 0.0 111.33 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -102.21 -60.63 1.51 Allowed 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 -179.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.565 ' O ' ' O ' ' B' ' 37' ' ' LEU . 51.9 mt -98.63 141.29 31.64 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.306 0.574 . . . . 0.0 111.805 -178.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 4.3 t -114.38 -57.92 2.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.457 179.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.55 -39.74 93.59 Favored Glycine 0 CA--C 1.531 1.052 0 CA-C-N 116.044 -0.526 . . . . 0.0 113.969 -178.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -62.78 -53.02 60.67 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 117.935 0.868 . . . . 0.0 112.564 -178.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -73.42 -39.39 65.05 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 120.368 -0.533 . . . . 0.0 111.695 178.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -60.7 -30.35 69.9 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.485 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.27 -29.7 61.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.072 -0.513 . . . . 0.0 112.0 -177.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 89.7 mm-40 -91.9 118.65 30.93 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 119.43 -0.908 . . . . 0.0 109.974 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 64.5 tttt -62.97 -39.41 94.62 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 113.918 1.081 . . . . 0.0 113.918 -178.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -69.7 142.5 53.33 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 -177.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 4.4 m -73.41 -27.28 23.4 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.127 178.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -76.3 -1.82 28.54 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.106 -0.952 . . . . 0.0 109.411 179.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.549 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -56.38 -37.31 69.92 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.97 -179.277 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.603 HG13 ' N ' ' B' ' 55' ' ' ASP . 7.2 p -60.0 -43.92 93.57 Favored 'Isoleucine or valine' 0 C--O 1.241 0.612 0 C-N-CA 120.005 -0.678 . . . . 0.0 110.007 178.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.603 ' N ' HG13 ' B' ' 54' ' ' VAL . 93.9 m-20 -61.02 -41.0 95.71 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.185 178.582 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -62.13 -37.9 86.92 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.884 178.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.549 HG23 ' O ' ' B' ' 53' ' ' ALA . 76.3 t -65.72 -45.98 90.39 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.1 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 -178.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.541 ' CE ' ' O ' ' B' ' 67' ' ' GLY . 1.9 ptp -66.65 -34.88 78.84 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 119.271 -0.972 . . . . 0.0 113.21 -178.026 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 36.0 mmtt -58.93 -41.47 87.43 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 119.306 -0.958 . . . . 0.0 112.141 -178.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -66.22 -41.69 89.72 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.012 -0.675 . . . . 0.0 110.923 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 74.8 mt -69.05 -33.82 74.19 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.089 -0.959 . . . . 0.0 112.716 -179.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.648 ' OD2' ' N ' ' B' ' 66' ' ' ASP . 50.7 t0 -79.58 101.35 8.25 Favored 'General case' 0 C--N 1.316 -0.862 0 C-N-CA 119.767 -0.773 . . . . 0.0 112.961 -175.733 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -66.73 -46.22 76.16 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-O 122.669 1.223 . . . . 0.0 111.224 176.016 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -58.3 -33.63 69.67 Favored 'General case' 0 C--N 1.3 -1.564 0 CA-C-N 112.322 -2.217 . . . . 0.0 112.814 -177.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 84.88 16.46 65.38 Favored Glycine 0 CA--C 1.527 0.818 0 N-CA-C 108.734 -1.746 . . . . 0.0 108.734 -177.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.648 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 47.1 p30 -85.08 4.46 34.0 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 114.595 -0.803 . . . . 0.0 112.062 -179.083 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.624 ' N ' ' OD2' ' B' ' 62' ' ' ASP . . . 62.53 -4.2 0.71 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.677 -0.969 . . . . 0.0 110.677 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.543 ' H ' ' C ' ' B' ' 66' ' ' ASP . 82.7 tt0 -110.43 143.54 40.58 Favored 'General case' 0 C--O 1.243 0.716 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 -179.665 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 61.2 t -100.13 135.2 36.94 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.677 0 CA-C-N 116.185 -0.461 . . . . 0.0 112.058 -176.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.548 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 51.9 t0 -99.14 159.27 15.1 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-O 121.187 0.518 . . . . 0.0 111.293 -179.314 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.548 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 1.0 OUTLIER -50.85 -44.37 59.43 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.726 -178.834 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.432 ' HG2' HG21 ' A' ' 83' ' ' VAL . 94.2 mt-30 -61.6 -40.62 95.45 Favored 'General case' 0 C--O 1.245 0.817 0 C-N-CA 119.764 -0.774 . . . . 0.0 110.68 179.091 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.457 ' O ' HG22 ' B' ' 76' ' ' VAL . 92.3 mt-10 -64.82 -42.15 95.21 Favored 'General case' 0 C--O 1.243 0.711 0 CA-C-O 122.172 0.986 . . . . 0.0 109.998 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . 0.403 ' OH ' ' CD1' ' A' ' 4' ' ' LEU . 60.9 t80 -63.12 -41.02 99.25 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-N 114.78 -1.1 . . . . 0.0 109.868 178.317 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.618 HG13 ' HB1' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -60.04 -48.2 88.84 Favored 'Isoleucine or valine' 0 C--O 1.248 1.003 0 CA-C-N 113.584 -1.644 . . . . 0.0 110.063 -179.079 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.457 HG22 ' O ' ' B' ' 73' ' ' GLU . 15.3 m -67.14 -35.18 73.62 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.503 0 C-N-CA 117.789 -1.564 . . . . 0.0 109.435 178.717 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.574 ' O ' HD13 ' B' ' 81' ' ' LEU . 32.7 tp -56.33 -51.98 66.25 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 118.744 -1.182 . . . . 0.0 111.823 178.276 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 34.4 m -68.73 -36.17 73.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 118.357 -1.337 . . . . 0.0 111.932 -178.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.711 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . . . -68.73 -48.9 62.63 Favored 'General case' 0 C--O 1.25 1.126 0 C-N-CA 118.922 -1.111 . . . . 0.0 112.041 -179.43 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.8 -40.39 97.19 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.574 HD13 ' O ' ' B' ' 77' ' ' LEU . 10.5 mp -65.36 -34.02 77.34 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 119.146 -1.022 . . . . 0.0 109.853 176.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 44.3 m -62.69 -50.06 72.65 Favored 'General case' 0 C--O 1.246 0.895 0 C-N-CA 119.638 -0.825 . . . . 0.0 111.21 179.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.423 HG21 ' HG2' ' A' ' 72' ' ' GLN . 14.0 p -63.61 -39.41 85.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 118.972 -1.091 . . . . 0.0 110.612 178.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.43 ' O ' ' CD2' ' B' ' 88' ' ' PHE . . . -64.76 -33.79 76.81 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 121.075 0.464 . . . . 0.0 109.78 178.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 47.6 t -63.39 -54.23 39.99 Favored 'General case' 0 CA--C 1.507 -0.679 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.208 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -55.8 -40.48 72.79 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 118.451 -1.3 . . . . 0.0 108.631 178.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . 0.674 ' O ' ' HB2' ' B' ' 91' ' ' GLU . 2.9 m120 -59.89 -41.97 92.78 Favored 'General case' 0 C--O 1.202 -1.43 0 C-N-CA 120.166 -0.614 . . . . 0.0 110.586 178.544 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.531 ' O ' ' O ' ' B' ' 91' ' ' GLU . 76.4 m-85 -66.75 -35.37 79.94 Favored 'General case' 0 C--N 1.309 -1.163 0 C-N-CA 117.199 -1.801 . . . . 0.0 110.745 178.673 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -64.7 -61.61 2.09 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 119.693 -0.803 . . . . 0.0 111.846 -178.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 90' ' ' TRP . . . . . 0.603 ' CG ' ' OH ' ' A' ' 26' ' ' TYR . 17.8 t-105 -69.34 -43.6 73.34 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.735 0.778 . . . . 0.0 111.462 178.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . 0.674 ' HB2' ' O ' ' B' ' 87' ' ' ASN . 96.2 mt-10 . . . . . 0 C--N 1.32 -0.694 0 CA-C-N 114.326 -1.306 . . . . 0.0 111.472 -178.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 . . . . . 0 C--O 1.236 0.376 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.485 HD23 ' O ' ' A' ' 4' ' ' LEU . 5.9 tt -62.31 -41.98 98.99 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 117.85 -1.54 . . . . 0.0 107.671 -179.607 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.609 ' OE2' HD22 ' B' ' 41' ' ' LEU . 72.6 mm-40 -66.27 -36.47 83.07 Favored 'General case' 0 C--O 1.219 -0.506 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.797 177.601 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.0 m -58.55 -41.27 85.21 Favored 'General case' 0 C--O 1.237 0.433 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 179.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.75 -46.42 82.25 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.464 179.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 99.4 mtp -58.87 -40.89 85.69 Favored 'General case' 0 C--O 1.247 0.926 0 CA-C-O 121.63 0.729 . . . . 0.0 109.709 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.44 -36.02 82.66 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.168 177.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 52.7 m -63.68 -42.61 98.0 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 119.359 -0.936 . . . . 0.0 109.712 179.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 43.2 mt -61.03 -43.27 99.13 Favored 'General case' 0 C--O 1.241 0.61 0 C-N-CA 119.347 -0.941 . . . . 0.0 108.753 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.5 mt -61.51 -45.71 98.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.21 178.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -62.22 -41.63 98.56 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -178.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.9 m -73.57 -41.28 55.78 Favored 'Isoleucine or valine' 0 C--O 1.253 1.282 0 C-N-CA 119.169 -1.012 . . . . 0.0 111.383 -179.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -60.47 -47.94 83.95 Favored 'General case' 0 CA--C 1.509 -0.603 0 C-N-CA 119.2 -1.0 . . . . 0.0 110.027 177.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -65.21 -34.63 78.82 Favored 'General case' 0 CA--C 1.502 -0.871 0 CA-C-N 115.547 -0.752 . . . . 0.0 110.524 178.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.54 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . -58.28 -52.35 65.95 Favored 'General case' 0 N--CA 1.437 -1.117 0 C-N-CA 118.763 -1.175 . . . . 0.0 110.031 -178.6 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.627 ' HA ' ' HZ1' ' A' ' 21' ' ' LYS . 17.4 m-70 -78.89 -48.12 15.22 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 118.846 -1.142 . . . . 0.0 113.815 -179.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.3 t -59.0 -44.01 91.58 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 119.278 -0.969 . . . . 0.0 110.468 -179.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -73.28 -44.56 34.22 Favored Glycine 0 CA--C 1.525 0.685 0 C-N-CA 120.744 -0.741 . . . . 0.0 111.697 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.627 ' HZ1' ' HA ' ' A' ' 18' ' ' HIS . 7.5 ttpm? -59.42 -39.64 84.12 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 -179.178 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.477 ' C ' ' OE2' ' A' ' 32' ' ' GLU . 96.6 mt-10 -119.75 146.32 45.76 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 -178.404 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 51.66 -140.35 25.59 Favored Glycine 0 C--N 1.334 0.441 0 CA-C-N 114.769 -1.105 . . . . 0.0 112.582 177.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -70.52 146.69 50.03 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 114.952 -0.624 . . . . 0.0 110.094 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.8 mtmm -86.35 150.55 24.24 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.484 ' OH ' ' CE3' ' B' ' 90' ' ' TRP . 89.0 m-85 61.06 13.46 4.67 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.5 tptt -138.01 132.33 32.06 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 106.183 -1.784 . . . . 0.0 106.183 175.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.8 tp -110.99 128.27 55.79 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 120.069 -0.653 . . . . 0.0 110.677 -176.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 78.8 p -99.81 164.87 11.84 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.0 ttpt -55.41 -47.85 75.28 Favored 'General case' 0 C--O 1.241 0.657 0 C-N-CA 120.273 -0.571 . . . . 0.0 112.065 -177.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.443 ' HG3' ' N ' ' A' ' 32' ' ' GLU . 14.6 ptpt -61.87 -41.4 97.81 Favored 'General case' 0 N--CA 1.442 -0.871 0 C-N-CA 119.61 -0.836 . . . . 0.0 110.191 -178.034 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.477 ' OE2' ' C ' ' A' ' 22' ' ' GLU . 97.4 mt-10 -67.43 -46.63 72.56 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 120.124 -0.631 . . . . 0.0 112.175 -179.32 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.38 -33.65 75.15 Favored 'General case' 0 CA--C 1.5 -0.946 0 C-N-CA 118.338 -1.345 . . . . 0.0 109.046 179.554 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.528 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 0.4 OUTLIER -54.17 -37.39 64.41 Favored 'General case' 0 N--CA 1.437 -1.122 0 C-N-CA 117.938 -1.505 . . . . 0.0 108.029 178.029 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.672 ' O ' HG23 ' A' ' 39' ' ' THR . 77.5 mm-40 -75.52 -42.93 51.36 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 112.921 0.711 . . . . 0.0 112.921 179.421 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.693 HD23 ' O ' ' A' ' 36' ' ' LEU . 1.0 OUTLIER -65.27 -45.97 82.37 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 120.338 -0.545 . . . . 0.0 111.44 -177.326 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.576 ' CD2' ' N ' ' A' ' 37' ' ' LEU . 0.8 OUTLIER -64.25 -42.62 96.42 Favored 'General case' 0 CA--C 1.52 -0.184 0 C-N-CA 119.116 -1.033 . . . . 0.0 111.191 -179.747 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.528 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 27.4 mt-30 -65.0 -39.54 93.6 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.317 -0.553 . . . . 0.0 112.069 179.504 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.672 HG23 ' O ' ' A' ' 35' ' ' GLU . 82.6 p -70.29 -40.03 74.52 Favored 'General case' 0 CA--C 1.523 -0.064 0 C-N-CA 119.676 -0.81 . . . . 0.0 111.707 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -89.65 -47.48 7.92 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.397 -0.521 . . . . 0.0 111.287 179.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.6 HD22 ' OE2' ' B' ' 5' ' ' GLU . 29.4 mt -107.8 141.98 38.53 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 121.144 0.497 . . . . 0.0 111.433 -179.436 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.4 m -112.5 -68.55 0.92 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.384 178.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.87 -37.41 90.66 Favored Glycine 0 CA--C 1.533 1.172 0 CA-C-N 115.506 -0.77 . . . . 0.0 114.263 -178.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -59.79 -53.74 54.44 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 118.203 1.001 . . . . 0.0 112.565 -177.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -75.6 -38.8 58.75 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 120.343 -0.543 . . . . 0.0 111.216 178.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -60.58 -28.85 68.8 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.404 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.2 -28.6 54.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.147 -0.479 . . . . 0.0 112.095 -177.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 90.4 mm-40 -88.82 120.59 30.37 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 119.341 -0.944 . . . . 0.0 109.842 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -63.04 -36.06 82.31 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 113.75 1.018 . . . . 0.0 113.75 -179.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -70.01 142.01 52.83 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -177.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.4 m -74.13 -27.95 22.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.526 178.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -82.38 3.23 28.75 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 115.322 -0.853 . . . . 0.0 109.621 179.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.444 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -57.09 -38.03 72.76 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.27 -179.356 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.596 HG13 ' N ' ' A' ' 55' ' ' ASP . 8.7 p -60.53 -42.85 92.96 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 C-N-CA 119.807 -0.757 . . . . 0.0 109.951 178.745 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.596 ' N ' HG13 ' A' ' 54' ' ' VAL . 56.2 t0 -61.42 -42.28 98.49 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 179.131 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 44.4 mttm -61.97 -39.6 92.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.747 179.129 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 53' ' ' ALA . 79.6 t -65.92 -45.7 90.41 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.119 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -179.298 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.6 ppp? -65.96 -33.96 77.0 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 -177.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 29.2 mmtm -60.05 -39.75 87.03 Favored 'General case' 0 CA--C 1.52 -0.19 0 C-N-CA 119.022 -1.071 . . . . 0.0 110.33 179.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -64.14 -39.58 94.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.176 0.512 . . . . 0.0 110.665 178.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.435 ' O ' ' OE1' ' A' ' 73' ' ' GLU . 75.8 mt -68.09 -35.39 78.09 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-N 115.466 -0.788 . . . . 0.0 112.313 -179.26 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.463 ' CG ' ' H ' ' A' ' 65' ' ' GLY . 44.5 t0 -71.48 73.15 0.73 Allowed 'General case' 0 N--CA 1.446 -0.668 0 C-N-CA 118.521 -1.271 . . . . 0.0 110.487 -178.352 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -63.66 -38.09 89.82 Favored 'General case' 0 CA--C 1.498 -1.041 0 N-CA-C 106.959 -1.497 . . . . 0.0 106.959 176.164 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.482 ' OD1' ' OD2' ' A' ' 66' ' ' ASP . 17.4 t-20 -58.12 -39.7 79.35 Favored 'General case' 0 N--CA 1.43 -1.47 0 CA-C-N 111.617 -2.538 . . . . 0.0 111.34 178.553 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.463 ' H ' ' CG ' ' A' ' 62' ' ' ASP . . . 79.79 19.66 70.07 Favored Glycine 0 CA--C 1.53 0.97 0 C-N-CA 121.469 -0.396 . . . . 0.0 112.803 178.143 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.491 ' O ' ' OE1' ' A' ' 68' ' ' GLU . 54.0 p30 -89.37 2.37 54.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 117.539 0.67 . . . . 0.0 112.649 -179.654 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 88.32 -5.11 85.14 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.38 -1.088 . . . . 0.0 110.38 179.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.491 ' OE1' ' O ' ' A' ' 66' ' ' ASP . 53.7 mp0 -121.21 160.42 23.87 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.005 -0.597 . . . . 0.0 110.629 179.335 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.41 ' HA ' ' OE1' ' A' ' 73' ' ' GLU . 38.5 t -104.68 129.57 56.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 105.625 -1.991 . . . . 0.0 105.625 176.326 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.511 ' C ' ' OD1' ' A' ' 70' ' ' ASP . 16.8 p30 -100.62 170.93 8.03 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 119.307 -0.957 . . . . 0.0 110.547 -177.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -53.55 -44.84 69.59 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.934 -178.48 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -61.77 -40.29 94.65 Favored 'General case' 0 C--O 1.242 0.707 0 C-N-CA 120.165 -0.614 . . . . 0.0 111.706 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.474 ' O ' HG22 ' A' ' 76' ' ' VAL . 77.5 mt-10 -64.57 -42.84 95.39 Favored 'General case' 0 C--O 1.242 0.69 0 CA-C-O 122.291 1.043 . . . . 0.0 109.689 179.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 69.5 t80 -63.25 -41.24 99.04 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-N 114.448 -1.251 . . . . 0.0 110.173 178.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.617 HG13 ' HB1' ' B' ' 79' ' ' ALA . 0.5 OUTLIER -59.91 -47.63 90.86 Favored 'Isoleucine or valine' 0 C--O 1.247 0.958 0 CA-C-N 113.75 -1.568 . . . . 0.0 110.054 -179.018 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.474 HG22 ' O ' ' A' ' 73' ' ' GLU . 16.4 m -67.45 -35.1 72.42 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 C-N-CA 117.875 -1.53 . . . . 0.0 109.323 178.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.579 ' O ' HD13 ' A' ' 81' ' ' LEU . 30.6 tp -56.92 -50.39 72.72 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 118.741 -1.184 . . . . 0.0 111.857 178.245 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 35.6 m -68.98 -35.93 71.5 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 C-N-CA 118.606 -1.238 . . . . 0.0 111.676 -179.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.726 ' HB2' ' HB2' ' B' ' 79' ' ' ALA . . . -68.42 -48.59 64.24 Favored 'General case' 0 C--O 1.248 0.998 0 C-N-CA 119.081 -1.047 . . . . 0.0 111.805 -179.494 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.24 -39.57 94.99 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.579 HD13 ' O ' ' A' ' 77' ' ' LEU . 9.2 mp -65.08 -34.47 78.5 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 119.376 -0.93 . . . . 0.0 109.733 176.694 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 37.1 m -63.43 -50.21 70.68 Favored 'General case' 0 C--O 1.247 0.948 0 C-N-CA 119.823 -0.751 . . . . 0.0 111.441 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.9 p -63.3 -38.81 83.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 C-N-CA 119.144 -1.022 . . . . 0.0 110.582 178.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.42 ' O ' ' CD2' ' A' ' 88' ' ' PHE . . . -65.27 -35.36 80.79 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 120.326 -0.549 . . . . 0.0 109.926 178.746 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 9.1 t -61.71 -54.99 35.16 Favored 'General case' 0 CA--C 1.507 -0.677 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.259 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 33.8 t30 -56.87 -39.0 73.53 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 118.797 -1.161 . . . . 0.0 108.972 178.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 34.8 t30 -57.77 -41.65 82.45 Favored 'General case' 0 C--O 1.219 -0.512 0 C-N-CA 120.127 -0.629 . . . . 0.0 110.43 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.42 ' CD2' ' O ' ' A' ' 84' ' ' ALA . 70.5 m-85 -67.99 -41.0 82.96 Favored 'General case' 0 C--O 1.226 -0.134 0 C-N-CA 119.546 -0.861 . . . . 0.0 110.867 178.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -58.78 -45.41 89.9 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.282 -0.567 . . . . 0.0 111.477 -179.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.547 ' CD1' ' C ' ' A' ' 90' ' ' TRP . 16.1 t-105 -85.65 -58.51 2.63 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 -179.491 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.453 ' C ' ' OE1' ' A' ' 91' ' ' GLU . 7.6 tm-20 . . . . . 0 C--N 1.321 -0.659 0 N-CA-C 113.407 0.892 . . . . 0.0 113.407 -176.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 . . . . . 0 C--O 1.234 0.285 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.489 HD23 ' O ' ' B' ' 4' ' ' LEU . 5.9 tt -62.32 -42.05 99.05 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 117.913 -1.515 . . . . 0.0 107.642 -179.62 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . 0.6 ' OE2' HD22 ' A' ' 41' ' ' LEU . 72.7 mm-40 -66.24 -36.56 83.32 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.825 177.565 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 43.6 m -58.5 -41.09 84.56 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 179.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.04 -46.3 81.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.416 179.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 99.3 mtp -58.91 -40.87 85.8 Favored 'General case' 0 C--O 1.246 0.897 0 CA-C-O 121.635 0.731 . . . . 0.0 109.824 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.36 -36.84 85.24 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.04 177.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 48.7 m -62.75 -42.9 99.89 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 119.375 -0.93 . . . . 0.0 109.901 178.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 49.1 mt -61.14 -43.05 99.49 Favored 'General case' 0 C--O 1.241 0.64 0 C-N-CA 119.283 -0.967 . . . . 0.0 108.797 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.4 mt -61.58 -45.5 98.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.344 178.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -62.36 -41.58 98.72 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -178.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 14.6 m -73.53 -41.29 56.06 Favored 'Isoleucine or valine' 0 C--O 1.253 1.246 0 C-N-CA 119.26 -0.976 . . . . 0.0 111.411 -179.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -60.55 -48.0 83.72 Favored 'General case' 0 CA--C 1.509 -0.618 0 C-N-CA 119.156 -1.018 . . . . 0.0 109.984 177.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -65.15 -34.63 78.85 Favored 'General case' 0 CA--C 1.503 -0.859 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.436 178.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.545 ' O ' ' CB ' ' B' ' 21' ' ' LYS . . . -58.3 -52.38 65.82 Favored 'General case' 0 N--CA 1.436 -1.147 0 C-N-CA 118.76 -1.176 . . . . 0.0 110.078 -178.62 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.607 ' HA ' ' HZ3' ' B' ' 21' ' ' LYS . 17.3 m-70 -78.82 -48.13 15.35 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 118.855 -1.138 . . . . 0.0 113.896 -179.728 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 41.8 t -59.1 -43.89 91.9 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 119.248 -0.981 . . . . 0.0 110.53 -179.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -73.31 -44.62 33.77 Favored Glycine 0 CA--C 1.526 0.735 0 C-N-CA 120.831 -0.699 . . . . 0.0 111.647 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . 0.607 ' HZ3' ' HA ' ' B' ' 18' ' ' HIS . 7.5 ttpm? -59.41 -39.62 84.01 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 -179.178 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.48 ' C ' ' OE2' ' B' ' 32' ' ' GLU . 96.7 mt-10 -119.75 146.36 45.72 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 -178.426 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 51.63 -140.23 25.71 Favored Glycine 0 CA--C 1.521 0.45 0 CA-C-N 114.891 -1.05 . . . . 0.0 112.693 177.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -70.69 146.7 49.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 114.956 -0.622 . . . . 0.0 110.046 179.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 26.8 mtmm -86.26 150.45 24.35 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.521 ' OH ' ' CE3' ' A' ' 90' ' ' TRP . 89.1 m-85 61.18 13.37 4.73 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.2 tptt -138.0 132.49 32.33 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 106.153 -1.795 . . . . 0.0 106.153 175.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 15.8 tp -111.14 128.17 55.81 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 120.077 -0.649 . . . . 0.0 110.714 -176.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 78.7 p -99.75 164.9 11.84 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 17.0 ttpt -55.46 -47.9 75.36 Favored 'General case' 0 C--O 1.242 0.695 0 C-N-CA 120.203 -0.599 . . . . 0.0 112.071 -177.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.439 ' HG3' ' N ' ' B' ' 32' ' ' GLU . 14.6 ptpt -61.69 -41.48 97.64 Favored 'General case' 0 N--CA 1.442 -0.85 0 C-N-CA 119.671 -0.812 . . . . 0.0 110.266 -178.104 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.48 ' OE2' ' C ' ' B' ' 22' ' ' GLU . 97.3 mt-10 -67.39 -46.64 72.66 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 120.228 -0.589 . . . . 0.0 112.204 -179.335 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.39 -33.58 75.03 Favored 'General case' 0 CA--C 1.5 -0.956 0 C-N-CA 118.346 -1.342 . . . . 0.0 109.121 179.498 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.535 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 0.4 OUTLIER -54.33 -37.39 64.81 Favored 'General case' 0 N--CA 1.437 -1.088 0 C-N-CA 117.897 -1.521 . . . . 0.0 107.944 178.08 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.683 ' O ' HG23 ' B' ' 39' ' ' THR . 77.4 mm-40 -75.56 -42.83 51.24 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 179.424 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.695 HD23 ' O ' ' B' ' 36' ' ' LEU . 1.1 tt -65.21 -45.95 82.65 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 120.37 -0.532 . . . . 0.0 111.539 -177.413 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.581 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 0.8 OUTLIER -64.3 -42.59 96.28 Favored 'General case' 0 CA--C 1.521 -0.142 0 C-N-CA 119.098 -1.041 . . . . 0.0 111.211 -179.798 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.535 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 27.4 mt-30 -64.96 -39.56 93.68 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.3 -0.56 . . . . 0.0 112.072 179.416 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.683 HG23 ' O ' ' B' ' 35' ' ' GLU . 82.8 p -70.27 -40.08 74.57 Favored 'General case' 0 C--N 1.334 -0.096 0 C-N-CA 119.65 -0.82 . . . . 0.0 111.685 -179.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -89.6 -47.51 7.91 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.365 -0.534 . . . . 0.0 111.278 179.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.609 HD22 ' OE2' ' A' ' 5' ' ' GLU . 29.4 mt -107.83 142.05 38.47 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 121.191 0.52 . . . . 0.0 111.458 -179.436 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 3.4 m -112.51 -68.67 0.91 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.395 178.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.81 -37.46 90.4 Favored Glycine 0 CA--C 1.533 1.188 0 CA-C-N 115.448 -0.796 . . . . 0.0 114.243 -178.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -59.75 -53.79 53.9 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 118.194 0.997 . . . . 0.0 112.523 -177.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -75.67 -38.7 58.52 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 120.279 -0.568 . . . . 0.0 111.201 178.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -60.52 -28.84 68.71 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.506 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.26 -28.63 54.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 0.0 112.096 -177.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 90.4 mm-40 -88.72 120.56 30.23 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 119.369 -0.933 . . . . 0.0 109.793 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -63.0 -36.15 82.58 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -179.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -70.03 142.07 52.79 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -177.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 4.3 m -74.21 -27.93 22.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.536 178.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -82.35 3.22 28.7 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.673 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.438 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -57.01 -38.14 72.68 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.257 -179.391 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.59 HG13 ' N ' ' B' ' 55' ' ' ASP . 8.8 p -60.5 -42.83 92.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 C-N-CA 119.796 -0.761 . . . . 0.0 109.949 178.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.59 ' N ' HG13 ' B' ' 54' ' ' VAL . 56.1 t0 -61.46 -42.24 98.47 Favored 'General case' 0 N--CA 1.447 -0.575 0 C-N-CA 120.1 -0.64 . . . . 0.0 109.32 179.105 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 44.4 mttm -62.0 -39.54 92.57 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.814 179.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.438 HG23 ' O ' ' B' ' 53' ' ' ALA . 79.7 t -65.88 -45.77 90.35 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.072 0 N-CA-C 112.338 0.495 . . . . 0.0 112.338 -179.351 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 2.6 ppp? -65.9 -34.03 77.19 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 -177.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 29.3 mmtm -59.93 -39.84 86.84 Favored 'General case' 0 CA--C 1.52 -0.19 0 C-N-CA 119.09 -1.044 . . . . 0.0 110.373 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -64.11 -39.66 94.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.151 0.501 . . . . 0.0 110.599 178.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.439 ' O ' ' OE1' ' B' ' 73' ' ' GLU . 76.1 mt -68.08 -35.27 77.9 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-N 115.466 -0.788 . . . . 0.0 112.397 -179.206 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.469 ' CG ' ' H ' ' B' ' 65' ' ' GLY . 44.6 t0 -71.62 73.28 0.78 Allowed 'General case' 0 N--CA 1.447 -0.622 0 C-N-CA 118.346 -1.342 . . . . 0.0 110.479 -178.387 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' B' ' 61' ' ' LEU . 87.5 tt0 -63.59 -38.15 90.02 Favored 'General case' 0 CA--C 1.497 -1.086 0 N-CA-C 107.016 -1.476 . . . . 0.0 107.016 176.118 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.477 ' OD1' ' OD2' ' B' ' 66' ' ' ASP . 17.5 t-20 -58.22 -39.63 79.56 Favored 'General case' 0 N--CA 1.43 -1.47 0 CA-C-N 111.531 -2.577 . . . . 0.0 111.284 178.661 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.469 ' H ' ' CG ' ' B' ' 62' ' ' ASP . . . 79.82 19.59 70.13 Favored Glycine 0 CA--C 1.531 1.041 0 C-N-CA 121.4 -0.429 . . . . 0.0 112.825 178.088 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.493 ' O ' ' OE1' ' B' ' 68' ' ' GLU . 54.0 p30 -89.34 2.37 54.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 117.467 0.633 . . . . 0.0 112.679 -179.643 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 88.3 -5.02 85.26 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.369 -1.092 . . . . 0.0 110.369 179.092 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.493 ' OE1' ' O ' ' B' ' 66' ' ' ASP . 53.8 mp0 -121.34 160.32 24.26 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.029 -0.585 . . . . 0.0 110.632 179.368 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.401 ' HA ' ' OE1' ' B' ' 73' ' ' GLU . 38.7 t -104.59 129.65 56.73 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.609 0 N-CA-C 105.8 -1.926 . . . . 0.0 105.8 176.276 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.513 ' C ' ' OD1' ' B' ' 70' ' ' ASP . 17.8 p30 -100.51 170.91 8.06 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 119.336 -0.946 . . . . 0.0 110.565 -177.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -53.57 -44.88 69.68 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.927 -178.541 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -61.71 -40.25 94.36 Favored 'General case' 0 C--O 1.243 0.727 0 C-N-CA 120.063 -0.655 . . . . 0.0 111.836 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.465 ' O ' HG22 ' B' ' 76' ' ' VAL . 77.5 mt-10 -64.55 -42.8 95.47 Favored 'General case' 0 C--O 1.243 0.734 0 CA-C-O 122.358 1.075 . . . . 0.0 109.701 179.66 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 69.8 t80 -63.44 -41.08 98.66 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-N 114.476 -1.238 . . . . 0.0 110.155 178.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.611 HG13 ' HB1' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -60.04 -47.54 91.41 Favored 'Isoleucine or valine' 0 C--O 1.247 0.956 0 CA-C-N 113.797 -1.547 . . . . 0.0 110.031 -179.012 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.465 HG22 ' O ' ' B' ' 73' ' ' GLU . 16.3 m -67.48 -35.07 72.18 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.56 0 C-N-CA 117.929 -1.509 . . . . 0.0 109.348 178.699 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.578 ' O ' HD13 ' B' ' 81' ' ' LEU . 30.8 tp -56.95 -50.44 72.61 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 118.872 -1.131 . . . . 0.0 111.754 178.215 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 35.8 m -69.05 -35.91 71.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 118.558 -1.257 . . . . 0.0 111.665 -179.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.726 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . . . -68.38 -48.48 64.6 Favored 'General case' 0 C--O 1.248 0.981 0 C-N-CA 119.043 -1.063 . . . . 0.0 111.918 -179.603 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.21 -39.66 95.28 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 179.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.578 HD13 ' O ' ' B' ' 77' ' ' LEU . 9.2 mp -64.92 -34.63 78.86 Favored 'General case' 0 N--CA 1.447 -0.59 0 C-N-CA 119.321 -0.951 . . . . 0.0 109.839 176.605 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 37.5 m -63.33 -50.28 70.65 Favored 'General case' 0 C--O 1.246 0.877 0 C-N-CA 119.828 -0.749 . . . . 0.0 111.374 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 13.8 p -63.26 -38.77 83.0 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 C-N-CA 119.118 -1.033 . . . . 0.0 110.63 178.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.41 ' O ' ' CD2' ' B' ' 88' ' ' PHE . . . -65.34 -35.24 80.39 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 120.348 -0.541 . . . . 0.0 109.863 178.734 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 9.2 t -61.77 -54.91 36.0 Favored 'General case' 0 CA--C 1.507 -0.696 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.357 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 33.6 t30 -56.91 -39.0 73.63 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 118.724 -1.19 . . . . 0.0 108.989 178.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 34.8 t30 -57.82 -41.54 82.47 Favored 'General case' 0 C--O 1.22 -0.455 0 C-N-CA 120.03 -0.668 . . . . 0.0 110.443 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.41 ' CD2' ' O ' ' B' ' 84' ' ' ALA . 70.7 m-85 -68.04 -41.04 82.7 Favored 'General case' 0 C--N 1.333 -0.122 0 C-N-CA 119.639 -0.824 . . . . 0.0 110.834 178.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -58.78 -45.28 90.2 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.245 -0.582 . . . . 0.0 111.582 -179.092 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 90' ' ' TRP . . . . . 0.55 ' C ' ' CD1' ' B' ' 90' ' ' TRP . 16.0 t-105 -85.8 -58.34 2.69 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 -179.559 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . 0.447 ' OE1' ' C ' ' B' ' 91' ' ' GLU . 7.6 tm-20 . . . . . 0 C--N 1.321 -0.658 0 N-CA-C 113.481 0.919 . . . . 0.0 113.481 -176.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 . . . . . 0 C--O 1.236 0.352 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.711 HD23 ' O ' ' A' ' 4' ' ' LEU . 5.0 tt -63.77 -41.98 97.88 Favored 'General case' 0 C--O 1.242 0.682 0 C-N-CA 119.251 -0.98 . . . . 0.0 109.028 -178.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.456 ' C ' ' OE1' ' A' ' 5' ' ' GLU . 8.6 tm-20 -63.72 -39.2 93.7 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 114.772 -1.104 . . . . 0.0 109.06 179.275 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.6 m -60.2 -40.29 89.55 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.126 178.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.31 -44.15 95.79 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.137 179.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 98.7 mtp -59.22 -41.07 87.78 Favored 'General case' 0 C--O 1.249 1.054 0 CA-C-O 121.857 0.837 . . . . 0.0 109.445 178.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -64.99 -35.71 82.06 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.084 178.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 51.0 m -64.47 -43.47 94.08 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 119.731 -0.788 . . . . 0.0 110.224 179.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 38.1 mt -61.69 -42.74 99.34 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 119.232 -0.987 . . . . 0.0 108.803 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.4 mt -62.12 -45.68 98.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 C-N-CA 119.775 -0.77 . . . . 0.0 111.586 178.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -61.83 -41.57 97.96 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -178.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.4 m -73.94 -41.13 53.18 Favored 'Isoleucine or valine' 0 C--O 1.255 1.344 0 C-N-CA 119.289 -0.965 . . . . 0.0 111.437 -179.303 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -60.51 -47.93 83.98 Favored 'General case' 0 CA--C 1.513 -0.481 0 C-N-CA 119.254 -0.978 . . . . 0.0 109.757 177.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -63.94 -34.88 78.97 Favored 'General case' 0 CA--C 1.502 -0.878 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.974 178.064 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.536 ' O ' ' HB2' ' A' ' 21' ' ' LYS . . . -57.58 -51.91 67.56 Favored 'General case' 0 N--CA 1.434 -1.23 0 C-N-CA 118.587 -1.245 . . . . 0.0 109.527 -178.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.502 ' CD2' ' HG ' ' A' ' 36' ' ' LEU . 35.9 m-70 -79.25 -52.12 8.55 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 114.582 1.327 . . . . 0.0 114.582 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.45 ' OG ' ' O ' ' A' ' 25' ' ' LYS . 22.9 t -58.07 -40.77 81.85 Favored 'General case' 0 C--N 1.34 0.182 0 C-N-CA 118.78 -1.168 . . . . 0.0 108.919 -179.213 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.33 -44.0 67.58 Favored Glycine 0 C--N 1.343 0.928 0 CA-C-N 115.347 -0.842 . . . . 0.0 112.139 178.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.536 ' HB2' ' O ' ' A' ' 17' ' ' ALA . 6.2 ttpm? -59.4 -42.26 91.33 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 120.23 -0.588 . . . . 0.0 112.0 -179.372 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.445 ' C ' ' OE2' ' A' ' 32' ' ' GLU . 97.3 mt-10 -129.33 152.08 49.28 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 112.778 0.659 . . . . 0.0 112.778 179.771 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.12 -148.78 28.01 Favored Glycine 0 CA--C 1.523 0.592 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.317 177.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -71.15 139.77 50.34 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 179.3 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.45 ' O ' ' OG ' ' A' ' 19' ' ' SER . 7.5 mtmp? -61.41 -32.56 72.51 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.727 -0.67 . . . . 0.0 112.761 -178.173 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.591 ' OH ' ' CD2' ' B' ' 90' ' ' TRP . 99.0 m-85 -106.39 19.57 20.3 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 113.094 0.776 . . . . 0.0 113.094 -177.661 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.2 tptt -138.87 137.17 36.3 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 119.215 -0.994 . . . . 0.0 108.569 178.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.7 tp -110.13 130.19 55.58 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.552 -0.459 . . . . 0.0 109.806 -177.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.4 t -100.61 162.67 12.77 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.879 -178.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.3 ttpt -52.19 -47.31 65.63 Favored 'General case' 0 C--O 1.24 0.568 0 CA-C-O 121.239 0.543 . . . . 0.0 111.404 -178.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.598 ' HG3' ' N ' ' A' ' 32' ' ' GLU . 25.4 pttm -60.1 -48.44 81.7 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.958 -178.752 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.598 ' N ' ' HG3' ' A' ' 31' ' ' LYS . 93.9 mt-10 -63.61 -51.31 65.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.65 -0.704 . . . . 0.0 112.301 -178.181 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.9 pp -60.26 -36.52 77.98 Favored 'General case' 0 CA--C 1.501 -0.92 0 C-N-CA 119.223 -0.991 . . . . 0.0 110.678 -179.014 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.771 ' NZ ' HE21 ' A' ' 38' ' ' GLN . 10.9 tptp -56.16 -36.72 68.62 Favored 'General case' 0 N--CA 1.436 -1.163 0 C-N-CA 117.912 -1.515 . . . . 0.0 107.983 178.407 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.829 ' O ' HG23 ' A' ' 39' ' ' THR . 96.8 mt-10 -74.98 -40.33 60.76 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 179.618 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.741 HD23 ' O ' ' A' ' 36' ' ' LEU . 4.0 tt -65.5 -45.43 83.61 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 120.174 -0.61 . . . . 0.0 111.058 -177.452 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.558 ' O ' ' O ' ' A' ' 41' ' ' LEU . 1.3 mm? -64.34 -44.06 92.65 Favored 'General case' 0 N--CA 1.463 0.195 0 C-N-CA 119.084 -1.046 . . . . 0.0 111.148 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.771 HE21 ' NZ ' ' A' ' 34' ' ' LYS . 97.3 mt-30 -63.87 -39.41 94.13 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.454 -0.498 . . . . 0.0 111.876 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.829 HG23 ' O ' ' A' ' 35' ' ' GLU . 61.8 p -72.49 -33.01 66.66 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.688 -0.405 . . . . 0.0 111.737 -179.576 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -100.86 -59.06 1.77 Allowed 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 113.239 0.829 . . . . 0.0 113.239 -179.095 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.558 ' O ' ' O ' ' A' ' 37' ' ' LEU . 56.8 mt -98.65 140.82 32.29 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 120.39 -0.524 . . . . 0.0 111.481 -179.337 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -110.69 -60.77 1.77 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.526 179.596 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.49 -39.52 93.17 Favored Glycine 0 CA--C 1.531 1.09 0 N-CA-C 114.58 0.592 . . . . 0.0 114.58 -177.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -62.56 -53.81 49.14 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 118.236 1.018 . . . . 0.0 112.815 -177.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -73.97 -38.16 64.28 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 120.26 -0.576 . . . . 0.0 111.954 178.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -59.25 -30.6 68.38 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.189 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.98 -31.87 63.39 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.79 -177.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 -96.66 116.4 29.05 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 119.445 -0.902 . . . . 0.0 109.47 179.401 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -63.9 -37.26 86.73 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 -178.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -71.6 142.43 49.98 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 113.164 0.802 . . . . 0.0 113.164 -177.212 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.543 ' O ' HG12 ' A' ' 54' ' ' VAL . 5.0 m -72.03 -29.14 31.81 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.146 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 177.198 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -58.87 -24.96 62.85 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 114.279 -1.328 . . . . 0.0 109.01 177.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.502 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -52.24 -36.84 53.54 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 114.674 -1.148 . . . . 0.0 110.665 -178.138 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.573 HG13 ' N ' ' A' ' 55' ' ' ASP . 7.3 p -60.28 -43.7 94.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 C-N-CA 119.189 -1.004 . . . . 0.0 110.024 178.703 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.573 ' N ' HG13 ' A' ' 54' ' ' VAL . 91.7 m-20 -63.0 -43.94 97.39 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.415 179.58 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 57.2 mtmt -60.91 -38.31 85.26 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 119.97 -0.692 . . . . 0.0 110.345 179.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 53' ' ' ALA . 79.5 t -64.67 -45.78 94.29 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 120.212 -0.595 . . . . 0.0 110.592 179.331 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -70.96 -34.71 71.71 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 -179.115 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.3 mtmt -59.43 -41.13 88.85 Favored 'General case' 0 N--CA 1.462 0.167 0 C-N-CA 119.441 -0.904 . . . . 0.0 111.796 -178.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -64.14 -40.43 96.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.491 0.662 . . . . 0.0 110.349 179.151 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.472 HD11 HD22 ' A' ' 77' ' ' LEU . 80.6 mt -68.57 -33.21 73.68 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.919 -1.037 . . . . 0.0 112.57 -179.619 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.491 ' OD1' ' OD1' ' A' ' 66' ' ' ASP . 50.7 t0 -72.89 85.99 1.27 Allowed 'General case' 0 N--CA 1.445 -0.678 0 C-N-CA 118.96 -1.096 . . . . 0.0 111.027 -177.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -63.21 -47.22 83.47 Favored 'General case' 0 CA--C 1.505 -0.769 0 CA-C-O 122.515 1.15 . . . . 0.0 111.04 176.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -59.2 -35.58 73.86 Favored 'General case' 0 C--N 1.3 -1.579 0 CA-C-N 112.758 -2.019 . . . . 0.0 111.358 -179.1 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.5 18.54 70.78 Favored Glycine 0 CA--C 1.52 0.379 0 N-CA-C 108.252 -1.939 . . . . 0.0 108.252 -177.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.526 ' O ' ' OE1' ' A' ' 68' ' ' GLU . 24.0 p-10 -86.41 1.5 51.05 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 -178.449 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 82.84 1.51 90.6 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 178.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.526 ' OE1' ' O ' ' A' ' 66' ' ' ASP . 52.7 mp0 -120.11 155.87 32.15 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-O 121.507 0.67 . . . . 0.0 112.243 179.629 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 48.7 t -108.26 132.05 57.1 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.485 0 N-CA-C 107.545 -1.279 . . . . 0.0 107.545 176.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.55 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 52.1 t0 -101.89 159.99 14.87 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.125 0.488 . . . . 0.0 111.451 -178.132 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.55 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 1.0 OUTLIER -50.16 -43.79 52.34 Favored 'General case' 0 C--O 1.217 -0.611 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.234 -178.584 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.407 ' HG2' HG21 ' B' ' 83' ' ' VAL . 94.0 mt-30 -61.76 -40.5 95.35 Favored 'General case' 0 C--O 1.246 0.874 0 C-N-CA 119.601 -0.84 . . . . 0.0 110.711 178.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.451 ' O ' HG22 ' A' ' 76' ' ' VAL . 86.2 mt-10 -64.72 -41.92 95.62 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-O 122.207 1.003 . . . . 0.0 109.779 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -63.49 -40.82 98.09 Favored 'General case' 0 C--O 1.24 0.587 0 CA-C-N 114.671 -1.15 . . . . 0.0 110.02 178.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.615 HG13 ' HB1' ' B' ' 79' ' ' ALA . 0.5 OUTLIER -60.72 -48.2 89.75 Favored 'Isoleucine or valine' 0 C--O 1.247 0.929 0 CA-C-N 113.72 -1.582 . . . . 0.0 109.974 -179.072 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.451 HG22 ' O ' ' A' ' 73' ' ' GLU . 14.6 m -67.48 -34.49 68.85 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 C-N-CA 117.811 -1.556 . . . . 0.0 109.26 178.625 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.472 HD22 HD11 ' A' ' 61' ' ' LEU . 51.6 tp -56.14 -52.98 62.4 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 119.164 -1.014 . . . . 0.0 112.286 178.344 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 34.3 m -69.84 -35.74 66.36 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.242 0 C-N-CA 118.737 -1.185 . . . . 0.0 111.868 -178.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.658 ' HB2' ' HB2' ' B' ' 79' ' ' ALA . . . -68.67 -47.96 65.18 Favored 'General case' 0 C--O 1.248 1.016 0 C-N-CA 119.05 -1.06 . . . . 0.0 111.715 -179.459 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.33 -40.14 96.5 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 179.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.6 mp -65.37 -34.22 77.8 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 119.258 -0.977 . . . . 0.0 109.694 176.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 39.5 m -62.86 -50.2 71.87 Favored 'General case' 0 C--O 1.243 0.752 0 C-N-CA 119.793 -0.763 . . . . 0.0 111.275 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.41 HG21 ' HG2' ' B' ' 72' ' ' GLN . 13.7 p -63.9 -39.02 83.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 119.15 -1.02 . . . . 0.0 110.703 178.719 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.578 ' O ' ' CD1' ' A' ' 88' ' ' PHE . . . -64.93 -31.74 73.12 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 121.17 0.51 . . . . 0.0 109.838 178.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 18.1 t -67.53 -54.08 23.1 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.7 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 35.4 t30 -56.56 -41.78 77.47 Favored 'General case' 0 C--O 1.24 0.604 0 C-N-CA 118.633 -1.227 . . . . 0.0 109.089 179.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -59.77 -38.24 81.28 Favored 'General case' 0 C--O 1.22 -0.455 0 C-N-CA 120.174 -0.61 . . . . 0.0 109.398 178.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.578 ' CD1' ' O ' ' A' ' 84' ' ' ALA . 4.7 m-30 -64.46 -41.34 96.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -66.46 -55.32 16.22 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 120.13 -0.628 . . . . 0.0 111.542 -179.328 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.607 ' CD2' ' OH ' ' B' ' 26' ' ' TYR . 23.7 t-105 -64.84 -40.11 94.64 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.321 0.582 . . . . 0.0 112.313 179.411 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.54 ' O ' ' O ' ' A' ' 88' ' ' PHE . 1.3 tm-20 . . . . . 0 C--N 1.32 -0.715 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.121 -177.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 . . . . . 0 C--O 1.236 0.35 0 N-CA-C 112.74 0.644 . . . . 0.0 112.74 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.712 HD23 ' O ' ' B' ' 4' ' ' LEU . 5.0 tt -63.68 -42.05 98.09 Favored 'General case' 0 C--O 1.243 0.718 0 C-N-CA 119.316 -0.954 . . . . 0.0 109.087 -178.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . 0.458 ' OE1' ' C ' ' B' ' 5' ' ' GLU . 8.6 tm-20 -63.72 -39.17 93.64 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 114.808 -1.087 . . . . 0.0 109.092 179.245 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 46.3 m -60.25 -40.16 89.31 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.089 178.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.41 -44.11 95.57 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.114 179.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 98.7 mtp -59.33 -41.16 88.46 Favored 'General case' 0 C--O 1.249 1.055 0 CA-C-O 121.852 0.834 . . . . 0.0 109.393 178.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -64.77 -36.59 84.8 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.008 178.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 49.2 m -63.58 -43.7 96.23 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 119.774 -0.77 . . . . 0.0 110.41 179.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 42.5 mt -61.76 -42.63 99.23 Favored 'General case' 0 C--O 1.24 0.562 0 C-N-CA 119.191 -1.004 . . . . 0.0 108.815 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.4 mt -62.1 -45.59 98.39 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.135 0 C-N-CA 119.81 -0.756 . . . . 0.0 111.651 178.633 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -61.9 -41.6 98.09 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -178.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 13.1 m -73.88 -41.16 53.59 Favored 'Isoleucine or valine' 0 C--O 1.256 1.397 0 C-N-CA 119.384 -0.926 . . . . 0.0 111.396 -179.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -60.53 -47.9 84.15 Favored 'General case' 0 CA--C 1.512 -0.496 0 C-N-CA 119.259 -0.976 . . . . 0.0 109.779 177.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -63.93 -34.93 79.09 Favored 'General case' 0 CA--C 1.501 -0.91 0 CA-C-N 115.287 -0.87 . . . . 0.0 109.882 178.033 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.528 ' O ' ' HB2' ' B' ' 21' ' ' LYS . . . -57.7 -51.84 67.88 Favored 'General case' 0 N--CA 1.435 -1.209 0 C-N-CA 118.474 -1.29 . . . . 0.0 109.561 -178.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.495 ' HB2' HD12 ' B' ' 36' ' ' LEU . 36.1 m-70 -79.04 -52.28 8.43 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 114.615 1.339 . . . . 0.0 114.615 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.453 ' OG ' ' O ' ' B' ' 25' ' ' LYS . 23.0 t -58.0 -40.84 81.75 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 118.789 -1.164 . . . . 0.0 108.979 -179.235 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.16 -44.22 67.59 Favored Glycine 0 C--N 1.342 0.904 0 CA-C-N 115.372 -0.831 . . . . 0.0 112.085 178.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . 0.528 ' HB2' ' O ' ' B' ' 17' ' ' ALA . 6.2 ttpm? -59.34 -42.26 91.09 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 120.199 -0.6 . . . . 0.0 111.993 -179.248 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.446 ' C ' ' OE2' ' B' ' 32' ' ' GLU . 97.3 mt-10 -129.31 152.22 49.11 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.96 -148.7 27.51 Favored Glycine 0 CA--C 1.523 0.585 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.367 177.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -71.19 139.72 50.24 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 179.316 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.453 ' O ' ' OG ' ' B' ' 19' ' ' SER . 7.5 mtmp? -61.42 -32.5 72.46 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.766 -178.193 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.607 ' OH ' ' CD2' ' A' ' 90' ' ' TRP . 99.0 m-85 -106.33 19.6 20.26 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.11 0.782 . . . . 0.0 113.11 -177.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 26.9 tptt -138.74 137.25 36.57 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 119.197 -1.001 . . . . 0.0 108.643 178.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 13.7 tp -110.18 130.21 55.58 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 120.435 -0.506 . . . . 0.0 109.759 -177.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 27.7 t -100.53 162.69 12.76 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.872 -178.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 20.3 ttpt -52.19 -47.36 65.59 Favored 'General case' 0 C--O 1.24 0.585 0 CA-C-O 121.278 0.561 . . . . 0.0 111.452 -178.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.609 ' HG3' ' N ' ' B' ' 32' ' ' GLU . 25.4 pttm -60.12 -48.41 81.83 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.932 -178.714 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.609 ' N ' ' HG3' ' B' ' 31' ' ' LYS . 93.9 mt-10 -63.56 -51.34 65.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.253 -178.174 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.9 pp -60.33 -36.48 78.06 Favored 'General case' 0 CA--C 1.5 -0.966 0 C-N-CA 119.21 -0.996 . . . . 0.0 110.703 -178.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.769 ' NZ ' HE21 ' B' ' 38' ' ' GLN . 10.9 tptp -56.13 -36.65 68.47 Favored 'General case' 0 N--CA 1.435 -1.193 0 C-N-CA 117.92 -1.512 . . . . 0.0 108.102 178.299 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.831 ' O ' HG23 ' B' ' 39' ' ' THR . 96.8 mt-10 -74.99 -40.38 60.73 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 179.484 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.739 HD23 ' O ' ' B' ' 36' ' ' LEU . 4.0 tt -65.55 -45.32 83.81 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 120.108 -0.637 . . . . 0.0 111.084 -177.458 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.546 ' O ' ' O ' ' B' ' 41' ' ' LEU . 1.3 mm? -64.34 -44.0 92.85 Favored 'General case' 0 C--N 1.34 0.195 0 C-N-CA 119.153 -1.019 . . . . 0.0 111.165 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.769 HE21 ' NZ ' ' B' ' 34' ' ' LYS . 97.3 mt-30 -63.96 -39.46 94.18 Favored 'General case' 0 C--N 1.333 -0.138 0 C-N-CA 120.508 -0.477 . . . . 0.0 111.839 179.675 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.831 HG23 ' O ' ' B' ' 35' ' ' GLU . 61.8 p -72.39 -33.03 66.9 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.778 -179.625 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -100.87 -59.05 1.77 Allowed 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -179.059 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.546 ' O ' ' O ' ' B' ' 37' ' ' LEU . 56.4 mt -98.61 140.81 32.27 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.181 0.515 . . . . 0.0 111.498 -179.389 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -110.67 -60.69 1.78 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.648 179.495 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.51 -39.48 93.16 Favored Glycine 0 CA--C 1.532 1.114 0 CA-C-N 115.828 -0.623 . . . . 0.0 114.556 -177.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -62.56 -53.81 49.08 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 118.172 0.986 . . . . 0.0 112.796 -177.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -73.9 -38.2 64.42 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 120.36 -0.536 . . . . 0.0 111.97 178.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -59.25 -30.58 68.38 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.279 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.0 -31.87 63.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.768 -177.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -96.76 116.38 29.05 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 119.509 -0.876 . . . . 0.0 109.471 179.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -63.81 -37.27 86.75 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 114.177 1.176 . . . . 0.0 114.177 -178.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -71.63 142.49 49.94 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 -177.16 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . 0.552 ' O ' HG12 ' B' ' 54' ' ' VAL . 5.0 m -72.04 -29.13 31.72 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.16 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 177.15 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -58.86 -25.08 62.97 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 114.216 -1.357 . . . . 0.0 108.968 177.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.5 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -52.13 -36.83 52.44 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 114.679 -1.146 . . . . 0.0 110.72 -178.1 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.591 HG13 ' N ' ' B' ' 55' ' ' ASP . 7.4 p -60.32 -43.68 94.18 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 C-N-CA 119.208 -0.997 . . . . 0.0 109.952 178.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.591 ' N ' HG13 ' B' ' 54' ' ' VAL . 91.7 m-20 -63.03 -43.95 97.25 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.439 179.575 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 57.2 mtmt -60.9 -38.26 85.11 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 119.958 -0.697 . . . . 0.0 110.394 179.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.5 HG23 ' O ' ' B' ' 53' ' ' ALA . 79.5 t -64.65 -45.73 94.5 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 C-N-CA 120.201 -0.6 . . . . 0.0 110.644 179.262 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -70.97 -34.76 71.74 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 113.944 1.09 . . . . 0.0 113.944 -179.101 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 13.3 mtmt -59.39 -41.11 88.64 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 119.28 -0.968 . . . . 0.0 111.894 -178.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -64.19 -40.43 96.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.481 0.658 . . . . 0.0 110.379 179.154 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.477 HD11 HD22 ' B' ' 77' ' ' LEU . 80.4 mt -68.61 -32.99 73.27 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.892 -1.049 . . . . 0.0 112.634 -179.724 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.479 ' OD1' ' OD1' ' B' ' 66' ' ' ASP . 50.7 t0 -73.04 86.1 1.33 Allowed 'General case' 0 N--CA 1.446 -0.653 0 C-N-CA 118.854 -1.138 . . . . 0.0 111.05 -177.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -63.23 -47.27 83.19 Favored 'General case' 0 CA--C 1.503 -0.83 0 CA-C-O 122.53 1.157 . . . . 0.0 110.991 177.024 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -59.17 -35.61 73.84 Favored 'General case' 0 C--N 1.3 -1.567 0 CA-C-N 112.819 -1.992 . . . . 0.0 111.348 -179.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.43 18.58 70.87 Favored Glycine 0 CA--C 1.521 0.417 0 N-CA-C 108.322 -1.911 . . . . 0.0 108.322 -177.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.518 ' O ' ' OE1' ' B' ' 68' ' ' GLU . 23.9 p-10 -86.31 1.37 51.26 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 114.956 -0.622 . . . . 0.0 112.665 -178.456 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 82.88 1.54 90.62 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 178.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.518 ' OE1' ' O ' ' B' ' 66' ' ' ASP . 52.6 mp0 -120.17 155.86 32.26 Favored 'General case' 0 C--O 1.239 0.548 0 CA-C-O 121.635 0.731 . . . . 0.0 112.202 179.605 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 48.6 t -108.17 132.02 57.05 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 176.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.548 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 50.9 t0 -101.3 160.01 14.78 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.073 0.463 . . . . 0.0 111.421 -178.08 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.548 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 1.0 OUTLIER -50.42 -43.8 54.97 Favored 'General case' 0 C--O 1.218 -0.604 0 CA-C-N 115.538 -0.756 . . . . 0.0 109.172 -178.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.41 ' HG2' HG21 ' A' ' 83' ' ' VAL . 93.9 mt-30 -61.74 -40.57 95.55 Favored 'General case' 0 C--O 1.246 0.898 0 C-N-CA 119.663 -0.815 . . . . 0.0 110.709 178.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.443 ' O ' HG22 ' B' ' 76' ' ' VAL . 86.3 mt-10 -64.7 -41.77 95.79 Favored 'General case' 0 C--O 1.24 0.57 0 CA-C-O 122.172 0.987 . . . . 0.0 109.875 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -63.48 -40.91 98.35 Favored 'General case' 0 C--O 1.24 0.593 0 CA-C-N 114.686 -1.143 . . . . 0.0 110.013 178.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.616 HG13 ' HB1' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -60.72 -48.27 89.49 Favored 'Isoleucine or valine' 0 C--O 1.247 0.951 0 CA-C-N 113.736 -1.575 . . . . 0.0 109.921 -179.01 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.443 HG22 ' O ' ' B' ' 73' ' ' GLU . 14.6 m -67.49 -34.4 68.27 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.497 0 C-N-CA 117.855 -1.538 . . . . 0.0 109.262 178.646 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.477 HD22 HD11 ' B' ' 61' ' ' LEU . 51.5 tp -56.12 -53.02 62.08 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 119.237 -0.985 . . . . 0.0 112.263 178.293 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 34.3 m -69.94 -35.67 65.56 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.215 0 C-N-CA 118.681 -1.208 . . . . 0.0 111.851 -178.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.658 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . . . -68.63 -48.03 65.12 Favored 'General case' 0 C--O 1.248 1.019 0 C-N-CA 119.068 -1.053 . . . . 0.0 111.701 -179.512 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.22 -40.2 96.8 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 179.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 5.5 mp -65.38 -34.18 77.7 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 119.219 -0.992 . . . . 0.0 109.741 176.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 39.6 m -62.84 -50.13 72.16 Favored 'General case' 0 C--O 1.244 0.814 0 C-N-CA 119.803 -0.759 . . . . 0.0 111.242 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.407 HG21 ' HG2' ' A' ' 72' ' ' GLN . 13.7 p -63.98 -39.11 84.26 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 119.133 -1.027 . . . . 0.0 110.626 178.744 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.585 ' O ' ' CD1' ' B' ' 88' ' ' PHE . . . -64.89 -31.7 73.05 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-O 121.21 0.528 . . . . 0.0 109.84 178.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 18.1 t -67.53 -54.06 23.16 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.691 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -56.59 -41.8 77.6 Favored 'General case' 0 C--O 1.24 0.585 0 C-N-CA 118.588 -1.245 . . . . 0.0 109.124 179.336 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -59.76 -38.2 81.12 Favored 'General case' 0 C--O 1.22 -0.499 0 C-N-CA 120.187 -0.605 . . . . 0.0 109.438 178.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.585 ' CD1' ' O ' ' B' ' 84' ' ' ALA . 4.7 m-30 -64.51 -41.33 96.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -66.4 -55.39 16.04 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.183 -0.607 . . . . 0.0 111.609 -179.385 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 90' ' ' TRP . . . . . 0.591 ' CD2' ' OH ' ' A' ' 26' ' ' TYR . 23.8 t-105 -64.77 -40.14 94.79 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.261 0.553 . . . . 0.0 112.258 179.369 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . 0.53 ' O ' ' O ' ' B' ' 88' ' ' PHE . 1.3 tm-20 . . . . . 0 C--N 1.32 -0.711 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.161 -177.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 . . . . . 0 C--O 1.234 0.268 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.637 HD23 ' O ' ' A' ' 4' ' ' LEU . 5.4 tt -62.37 -41.82 98.92 Favored 'General case' 0 C--O 1.242 0.659 0 CA-C-O 121.873 0.844 . . . . 0.0 108.755 -179.547 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.453 ' C ' ' OE1' ' A' ' 5' ' ' GLU . 7.9 tm-20 -63.77 -40.27 96.27 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 114.742 -1.117 . . . . 0.0 109.515 179.581 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 43.7 m -60.26 -40.12 89.21 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 178.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.38 -44.43 94.76 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.344 179.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 96.0 mtp -59.49 -41.02 88.89 Favored 'General case' 0 C--O 1.25 1.095 0 CA-C-O 121.909 0.862 . . . . 0.0 109.507 179.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.76 -35.66 81.8 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.091 -0.958 . . . . 0.0 109.991 178.053 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 54.1 m -64.28 -43.45 94.75 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 119.858 -0.737 . . . . 0.0 110.255 179.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 36.5 mt -61.73 -42.56 99.12 Favored 'General case' 0 C--O 1.241 0.606 0 C-N-CA 119.188 -1.005 . . . . 0.0 108.805 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.6 mt -62.2 -45.24 99.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 C-N-CA 119.709 -0.797 . . . . 0.0 111.576 178.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -61.93 -41.58 98.11 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.786 0.662 . . . . 0.0 112.786 -178.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 16.0 m -73.84 -41.37 53.87 Favored 'Isoleucine or valine' 0 C--O 1.255 1.377 0 C-N-CA 119.241 -0.984 . . . . 0.0 111.56 -179.333 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -59.91 -47.8 84.3 Favored 'General case' 0 CA--C 1.511 -0.522 0 C-N-CA 119.221 -0.992 . . . . 0.0 109.751 177.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -64.03 -34.71 78.63 Favored 'General case' 0 CA--C 1.502 -0.894 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.908 178.068 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.535 ' O ' ' HB2' ' A' ' 21' ' ' LYS . . . -57.59 -52.03 67.06 Favored 'General case' 0 N--CA 1.435 -1.182 0 C-N-CA 118.527 -1.269 . . . . 0.0 109.564 -178.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.488 ' CD2' ' HG ' ' A' ' 36' ' ' LEU . 38.0 m-70 -79.43 -51.78 8.92 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.468 ' OG ' ' O ' ' A' ' 25' ' ' LYS . 24.4 t -58.02 -40.84 81.84 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 118.823 -1.151 . . . . 0.0 108.927 -179.339 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.77 -44.65 68.81 Favored Glycine 0 C--N 1.343 0.932 0 CA-C-N 115.254 -0.885 . . . . 0.0 112.151 178.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.535 ' HB2' ' O ' ' A' ' 17' ' ' ALA . 6.3 ttpm? -59.52 -42.4 92.19 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.18 -0.608 . . . . 0.0 112.223 -179.138 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.445 ' C ' ' OE2' ' A' ' 32' ' ' GLU . 97.3 mt-10 -129.31 151.64 49.75 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.04 -148.31 32.73 Favored Glycine 0 CA--C 1.524 0.629 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.285 177.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -70.85 139.21 50.8 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 179.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.468 ' O ' ' OG ' ' A' ' 19' ' ' SER . 31.8 mtmt -61.62 -32.92 73.08 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 -177.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.596 ' OH ' ' CD2' ' B' ' 90' ' ' TRP . 95.9 m-85 -107.12 20.18 19.36 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -177.392 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.9 tptt -138.89 137.47 36.55 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 178.548 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.7 tp -111.08 126.97 55.38 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 -177.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 97.7 p -96.84 166.91 11.4 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.699 -0.228 . . . . 0.0 110.781 -179.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.7 ttpt -54.44 -47.97 72.23 Favored 'General case' 0 C--O 1.242 0.66 0 CA-C-O 121.012 0.434 . . . . 0.0 112.043 -177.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.581 ' CG ' ' N ' ' A' ' 32' ' ' GLU . 26.0 pttm -60.51 -48.53 81.38 Favored 'General case' 0 N--CA 1.44 -0.93 0 C-N-CA 119.714 -0.794 . . . . 0.0 109.737 -178.475 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.581 ' N ' ' CG ' ' A' ' 31' ' ' LYS . 95.6 mt-10 -62.54 -50.25 72.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.516 -0.765 . . . . 0.0 112.529 -178.443 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.454 HD22 HG21 ' A' ' 69' ' ' VAL . 1.6 pp -60.86 -36.09 78.27 Favored 'General case' 0 CA--C 1.501 -0.941 0 C-N-CA 118.771 -1.172 . . . . 0.0 110.142 -179.422 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.513 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 10.4 tptp -56.09 -36.84 68.58 Favored 'General case' 0 N--CA 1.435 -1.186 0 C-N-CA 118.244 -1.383 . . . . 0.0 108.13 178.321 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.848 ' O ' HG23 ' A' ' 39' ' ' THR . 97.0 mt-10 -74.6 -40.88 61.32 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 113.076 0.769 . . . . 0.0 113.076 179.719 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.75 HD23 ' O ' ' A' ' 36' ' ' LEU . 3.9 tt -65.38 -44.9 86.08 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 120.044 -0.663 . . . . 0.0 110.99 -177.316 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.556 ' O ' ' O ' ' A' ' 41' ' ' LEU . 1.4 mm? -65.02 -44.67 88.41 Favored 'General case' 0 C--N 1.342 0.243 0 C-N-CA 119.083 -1.047 . . . . 0.0 111.513 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.513 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 27.3 mt-30 -63.73 -38.98 93.13 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.381 -0.528 . . . . 0.0 111.628 179.688 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.848 HG23 ' O ' ' A' ' 35' ' ' GLU . 63.4 p -72.11 -32.91 67.41 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.609 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -101.34 -59.52 1.69 Allowed 'General case' 0 N--CA 1.463 0.189 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 -178.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.556 ' O ' ' O ' ' A' ' 37' ' ' LEU . 53.6 mt -99.39 142.23 31.14 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.323 0.582 . . . . 0.0 111.35 -178.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 70.4 m -108.49 -77.74 0.6 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.537 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.454 ' O ' ' HB2' ' A' ' 47' ' ' ALA . . . -56.8 -36.42 72.43 Favored Glycine 0 CA--C 1.531 1.093 0 CA-C-N 115.471 -0.786 . . . . 0.0 113.92 -178.094 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -61.51 -57.01 13.83 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 118.068 0.934 . . . . 0.0 112.755 -177.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.577 HD13 ' O ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -71.12 -39.83 71.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.597 0.713 . . . . 0.0 109.58 -179.736 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -63.32 -29.35 70.68 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 114.684 -1.144 . . . . 0.0 112.706 179.233 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.454 ' HB2' ' O ' ' A' ' 43' ' ' GLY . . . -55.1 -29.82 58.44 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -176.513 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 95.2 mm-40 -60.55 -36.81 79.35 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 119.706 -0.798 . . . . 0.0 109.355 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.524 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 94.7 mttt 60.92 38.55 17.55 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.422 -0.808 . . . . 0.0 113.079 178.582 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.524 ' OD1' ' O ' ' A' ' 49' ' ' LYS . 91.0 m-20 -141.4 149.91 41.69 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.319 178.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.2 m -72.87 -31.51 36.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.487 179.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -87.07 2.72 48.8 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.594 179.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.462 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -58.61 -38.23 77.56 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.443 -0.503 . . . . 0.0 110.711 -178.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.609 HG13 ' N ' ' A' ' 55' ' ' ASP . 7.2 p -60.17 -44.3 95.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 C-N-CA 119.721 -0.792 . . . . 0.0 110.276 179.602 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.609 ' N ' HG13 ' A' ' 54' ' ' VAL . 92.2 m-20 -62.61 -43.92 97.59 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.297 179.376 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.96 -40.43 95.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.882 179.381 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 53' ' ' ALA . 69.4 t -65.84 -44.09 92.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.946 -0.57 . . . . 0.0 112.143 -179.253 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -69.05 -33.49 73.66 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 -178.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.7 mtmm -60.0 -41.32 91.81 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 113.283 0.845 . . . . 0.0 113.283 -178.195 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -72.22 -36.69 69.22 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 119.556 -0.858 . . . . 0.0 110.685 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.473 ' O ' ' CD ' ' A' ' 73' ' ' GLU . 88.7 mt -67.51 -33.86 75.95 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.86 179.585 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.457 ' OD1' ' OD1' ' A' ' 66' ' ' ASP . 51.8 t0 -72.43 86.72 1.15 Allowed 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 119.146 -1.022 . . . . 0.0 111.095 -178.048 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -63.18 -47.23 83.49 Favored 'General case' 0 CA--C 1.506 -0.744 0 CA-C-O 122.433 1.111 . . . . 0.0 110.878 176.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -59.36 -35.52 74.04 Favored 'General case' 0 C--N 1.3 -1.575 0 CA-C-N 112.929 -1.941 . . . . 0.0 111.31 -179.215 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.57 18.64 70.34 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 108.494 -1.842 . . . . 0.0 108.494 -178.047 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.514 ' O ' ' OE1' ' A' ' 68' ' ' GLU . 23.2 p-10 -87.12 2.04 51.08 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -178.44 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 83.93 1.56 89.76 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 178.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.514 ' OE1' ' O ' ' A' ' 66' ' ' ASP . 51.3 mp0 -120.64 156.75 31.04 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-O 121.498 0.666 . . . . 0.0 112.137 179.719 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.454 HG21 HD22 ' A' ' 33' ' ' LEU . 49.7 t -105.69 131.7 54.5 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 N-CA-C 107.178 -1.415 . . . . 0.0 107.178 176.707 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.543 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 51.3 t0 -101.55 160.04 14.78 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.146 0.498 . . . . 0.0 111.341 -178.256 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.543 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 1.0 OUTLIER -50.09 -43.34 51.39 Favored 'General case' 0 C--O 1.215 -0.723 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.002 -178.471 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.414 ' HG2' HG21 ' B' ' 83' ' ' VAL . 94.3 mt-30 -62.29 -40.94 97.91 Favored 'General case' 0 C--O 1.245 0.832 0 C-N-CA 119.849 -0.74 . . . . 0.0 110.999 178.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.473 ' CD ' ' O ' ' A' ' 61' ' ' LEU . 87.9 mt-10 -64.63 -41.95 95.81 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 122.304 1.05 . . . . 0.0 109.602 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -63.46 -40.72 97.87 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-N 114.409 -1.269 . . . . 0.0 109.928 178.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.645 HG13 ' HB1' ' B' ' 79' ' ' ALA . 0.5 OUTLIER -60.44 -48.33 88.87 Favored 'Isoleucine or valine' 0 C--O 1.248 0.993 0 CA-C-N 113.842 -1.527 . . . . 0.0 109.871 -178.943 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.47 HG22 ' O ' ' A' ' 73' ' ' GLU . 15.9 m -67.38 -34.59 69.74 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.585 0 C-N-CA 117.871 -1.532 . . . . 0.0 109.244 178.644 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 50.2 tp -56.38 -51.71 67.32 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 119.095 -1.042 . . . . 0.0 112.298 178.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 34.6 m -70.3 -34.97 60.67 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.358 0 C-N-CA 118.734 -1.186 . . . . 0.0 111.62 -178.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.715 ' HB2' ' HB2' ' B' ' 79' ' ' ALA . . . -68.26 -47.77 66.85 Favored 'General case' 0 C--O 1.251 1.14 0 C-N-CA 118.893 -1.123 . . . . 0.0 111.539 -179.663 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.51 -39.72 95.17 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.2 179.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.8 mp -65.1 -34.13 77.66 Favored 'General case' 0 C--O 1.22 -0.492 0 C-N-CA 119.239 -0.984 . . . . 0.0 109.706 176.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 31.7 m -63.14 -50.25 71.18 Favored 'General case' 0 C--O 1.245 0.847 0 C-N-CA 119.83 -0.748 . . . . 0.0 111.154 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.419 HG21 ' HG2' ' B' ' 72' ' ' GLN . 12.8 p -64.05 -39.66 86.28 Favored 'Isoleucine or valine' 0 C--O 1.239 0.537 0 C-N-CA 118.935 -1.106 . . . . 0.0 111.045 179.182 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.459 ' O ' ' CD2' ' A' ' 88' ' ' PHE . . . -64.91 -34.49 78.51 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 120.386 -0.526 . . . . 0.0 109.725 178.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 45.9 t -62.89 -54.67 35.09 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.643 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 36.8 t30 -56.24 -40.35 74.0 Favored 'General case' 0 C--O 1.238 0.496 0 C-N-CA 118.582 -1.247 . . . . 0.0 108.77 178.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.673 ' O ' ' HB2' ' A' ' 91' ' ' GLU . 86.7 m-20 -59.64 -42.17 92.16 Favored 'General case' 0 C--O 1.203 -1.388 0 C-N-CA 120.227 -0.589 . . . . 0.0 110.424 178.717 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.529 ' O ' ' O ' ' A' ' 91' ' ' GLU . 76.0 m-85 -67.03 -35.09 79.12 Favored 'General case' 0 C--N 1.31 -1.142 0 C-N-CA 117.274 -1.77 . . . . 0.0 110.592 178.709 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -64.25 -61.97 1.91 Allowed 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 119.682 -0.807 . . . . 0.0 111.715 -178.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.596 ' CG ' ' OH ' ' B' ' 26' ' ' TYR . 18.7 t-105 -70.09 -43.48 70.99 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 121.64 0.733 . . . . 0.0 111.483 178.778 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.673 ' HB2' ' O ' ' A' ' 87' ' ' ASN . 69.6 mm-40 . . . . . 0 C--N 1.321 -0.636 0 CA-C-N 114.48 -1.236 . . . . 0.0 111.609 -178.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 . . . . . 0 C--O 1.234 0.27 0 N-CA-C 111.753 0.279 . . . . 0.0 111.753 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.628 HD23 ' O ' ' B' ' 4' ' ' LEU . 5.4 tt -62.4 -41.77 98.91 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.911 0.862 . . . . 0.0 108.714 -179.514 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . 0.457 ' OE1' ' C ' ' B' ' 5' ' ' GLU . 7.9 tm-20 -63.82 -40.37 96.45 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 114.792 -1.095 . . . . 0.0 109.456 179.561 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 43.3 m -60.25 -39.91 88.4 Favored 'General case' 0 CA--C 1.515 -0.397 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 178.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.68 -44.25 94.28 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.282 179.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 96.0 mtp -59.73 -40.96 89.79 Favored 'General case' 0 C--O 1.25 1.112 0 CA-C-O 121.822 0.82 . . . . 0.0 109.451 179.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.7 -36.37 84.06 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.874 178.095 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 52.2 m -63.47 -43.67 96.65 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 119.874 -0.73 . . . . 0.0 110.419 179.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 41.8 mt -61.7 -42.5 99.02 Favored 'General case' 0 C--O 1.24 0.56 0 C-N-CA 119.185 -1.006 . . . . 0.0 108.816 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.7 mt -62.11 -45.41 98.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.489 178.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -61.93 -41.48 97.99 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -178.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 15.9 m -73.89 -41.41 53.53 Favored 'Isoleucine or valine' 0 C--O 1.256 1.412 0 C-N-CA 119.25 -0.98 . . . . 0.0 111.494 -179.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -59.87 -47.88 83.95 Favored 'General case' 0 CA--C 1.511 -0.521 0 C-N-CA 119.308 -0.957 . . . . 0.0 109.693 177.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -63.98 -34.71 78.61 Favored 'General case' 0 CA--C 1.502 -0.887 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.934 178.086 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.527 ' O ' ' HB2' ' B' ' 21' ' ' LYS . . . -57.58 -52.06 66.93 Favored 'General case' 0 N--CA 1.435 -1.211 0 C-N-CA 118.521 -1.271 . . . . 0.0 109.615 -178.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.492 ' HB2' HD12 ' B' ' 36' ' ' LEU . 37.9 m-70 -79.22 -51.94 8.81 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 114.584 1.327 . . . . 0.0 114.584 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.457 ' OG ' ' O ' ' B' ' 25' ' ' LYS . 24.4 t -58.05 -40.87 82.02 Favored 'General case' 0 C--N 1.341 0.198 0 C-N-CA 118.814 -1.155 . . . . 0.0 108.971 -179.271 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.91 -44.42 68.42 Favored Glycine 0 C--N 1.343 0.969 0 CA-C-N 115.22 -0.9 . . . . 0.0 112.118 178.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . 0.527 ' HB2' ' O ' ' B' ' 17' ' ' ALA . 6.3 ttpm? -59.59 -42.45 92.56 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.213 -0.595 . . . . 0.0 112.23 -179.194 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.45 ' C ' ' OE2' ' B' ' 32' ' ' GLU . 97.3 mt-10 -129.27 151.64 49.71 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.93 -148.2 32.48 Favored Glycine 0 N--CA 1.465 0.588 0 CA-C-N 115.762 -0.654 . . . . 0.0 112.371 177.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -70.89 139.2 50.7 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 179.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.457 ' O ' ' OG ' ' B' ' 19' ' ' SER . 31.8 mtmt -61.52 -32.94 73.0 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 -177.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.596 ' OH ' ' CG ' ' A' ' 90' ' ' TRP . 96.0 m-85 -107.12 20.19 19.35 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 -177.346 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 33.3 tptt -138.8 137.52 36.73 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 178.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 13.6 tp -111.06 126.84 55.24 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 -177.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 97.7 p -96.8 166.91 11.41 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.75 -0.204 . . . . 0.0 110.798 -179.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 20.6 ttpt -54.37 -48.04 71.95 Favored 'General case' 0 C--O 1.241 0.646 0 CA-C-O 121.124 0.488 . . . . 0.0 112.114 -177.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.603 ' HG3' ' N ' ' B' ' 32' ' ' GLU . 26.0 pttm -60.47 -48.49 81.51 Favored 'General case' 0 N--CA 1.441 -0.88 0 C-N-CA 119.743 -0.783 . . . . 0.0 109.67 -178.47 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.603 ' N ' ' HG3' ' B' ' 31' ' ' LYS . 95.5 mt-10 -62.65 -50.31 71.7 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.412 -178.367 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.456 HD22 HG21 ' B' ' 69' ' ' VAL . 1.6 pp -60.82 -36.11 78.22 Favored 'General case' 0 CA--C 1.5 -0.951 0 C-N-CA 118.798 -1.161 . . . . 0.0 110.138 -179.392 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.503 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 10.4 tptp -56.08 -36.78 68.48 Favored 'General case' 0 N--CA 1.435 -1.189 0 C-N-CA 118.244 -1.383 . . . . 0.0 108.136 178.348 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.848 ' O ' HG23 ' B' ' 39' ' ' THR . 97.1 mt-10 -74.69 -40.92 61.1 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 179.737 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.738 HD23 ' O ' ' B' ' 36' ' ' LEU . 4.0 tt -65.36 -44.81 86.45 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 120.076 -0.65 . . . . 0.0 111.073 -177.351 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.547 ' O ' ' O ' ' B' ' 41' ' ' LEU . 1.4 mm? -65.11 -44.54 88.43 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 119.043 -1.063 . . . . 0.0 111.509 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.503 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 27.3 mt-30 -63.74 -39.07 93.4 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.354 -0.538 . . . . 0.0 111.577 179.673 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.848 HG23 ' O ' ' B' ' 35' ' ' GLU . 63.4 p -72.1 -32.9 67.43 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.644 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -101.23 -59.62 1.67 Allowed 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 -178.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.547 ' O ' ' O ' ' B' ' 37' ' ' LEU . 53.7 mt -99.28 142.25 31.01 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 121.295 0.569 . . . . 0.0 111.331 -178.76 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 70.3 m -108.58 -77.72 0.6 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.572 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . 0.463 ' O ' ' HB2' ' B' ' 47' ' ' ALA . . . -56.8 -36.4 72.32 Favored Glycine 0 CA--C 1.531 1.044 0 CA-C-N 115.527 -0.76 . . . . 0.0 114.008 -178.166 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -61.55 -57.02 13.78 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 117.997 0.899 . . . . 0.0 112.737 -177.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.572 HD13 ' O ' ' B' ' 45' ' ' LEU . 0.2 OUTLIER -71.11 -39.79 71.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.59 0.709 . . . . 0.0 109.57 -179.778 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -63.32 -29.48 70.79 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 114.754 -1.112 . . . . 0.0 112.66 179.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . 0.463 ' HB2' ' O ' ' B' ' 43' ' ' GLY . . . -54.99 -29.95 58.28 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -176.49 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 95.1 mm-40 -60.4 -36.87 79.13 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 119.748 -0.781 . . . . 0.0 109.383 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.534 ' O ' ' OD1' ' B' ' 50' ' ' ASP . 94.7 mttt 60.95 38.55 17.45 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 115.444 -0.798 . . . . 0.0 113.049 178.593 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . 0.534 ' OD1' ' O ' ' B' ' 49' ' ' LYS . 90.9 m-20 -141.4 149.92 41.7 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.32 178.034 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 6.2 m -72.88 -31.53 36.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.481 179.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -87.12 2.76 48.77 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.588 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.459 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -58.63 -38.27 77.71 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.762 -178.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.604 HG13 ' N ' ' B' ' 55' ' ' ASP . 7.2 p -60.15 -44.24 94.78 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 C-N-CA 119.803 -0.759 . . . . 0.0 110.286 179.55 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.604 ' N ' HG13 ' B' ' 54' ' ' VAL . 92.2 m-20 -62.66 -43.92 97.58 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.3 179.371 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.97 -40.39 95.43 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.944 179.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.459 HG23 ' O ' ' B' ' 53' ' ' ALA . 69.8 t -65.77 -44.15 93.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.881 -0.6 . . . . 0.0 112.159 -179.274 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -69.01 -33.45 73.66 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 -178.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 16.7 mtmm -60.09 -41.23 92.07 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 113.239 0.829 . . . . 0.0 113.239 -178.171 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -72.3 -36.61 68.98 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 119.618 -0.833 . . . . 0.0 110.663 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.474 ' O ' ' CD ' ' B' ' 73' ' ' GLU . 88.8 mt -67.66 -33.67 75.41 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.914 179.609 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.455 ' OD1' ' OD1' ' B' ' 66' ' ' ASP . 51.7 t0 -72.49 86.69 1.17 Allowed 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 119.158 -1.017 . . . . 0.0 111.161 -178.132 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -63.15 -47.22 83.64 Favored 'General case' 0 CA--C 1.506 -0.741 0 CA-C-O 122.407 1.098 . . . . 0.0 110.905 176.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -59.37 -35.52 74.06 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-N 112.835 -1.984 . . . . 0.0 111.335 -179.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.55 18.63 70.44 Favored Glycine 0 CA--C 1.52 0.374 0 N-CA-C 108.549 -1.82 . . . . 0.0 108.549 -177.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.523 ' O ' ' OE1' ' B' ' 68' ' ' GLU . 23.3 p-10 -87.09 2.08 50.9 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 -178.4 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 83.88 1.61 89.8 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 178.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.523 ' OE1' ' O ' ' B' ' 66' ' ' ASP . 51.2 mp0 -120.68 156.67 31.26 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-O 121.528 0.68 . . . . 0.0 112.191 179.703 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.456 HG21 HD22 ' B' ' 33' ' ' LEU . 49.0 t -105.53 131.63 54.44 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 N-CA-C 107.308 -1.367 . . . . 0.0 107.308 176.686 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.544 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 50.2 t0 -101.06 159.94 14.8 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.117 0.484 . . . . 0.0 111.277 -178.177 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.544 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 1.0 OUTLIER -50.21 -43.44 52.74 Favored 'General case' 0 C--O 1.215 -0.744 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 -178.873 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.419 ' HG2' HG21 ' A' ' 83' ' ' VAL . 94.2 mt-30 -62.11 -41.04 97.83 Favored 'General case' 0 C--O 1.245 0.835 0 C-N-CA 119.908 -0.717 . . . . 0.0 110.98 178.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.474 ' CD ' ' O ' ' B' ' 61' ' ' LEU . 87.9 mt-10 -64.63 -41.91 95.85 Favored 'General case' 0 C--O 1.241 0.623 0 CA-C-O 122.302 1.049 . . . . 0.0 109.628 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -63.5 -40.64 97.61 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-N 114.374 -1.285 . . . . 0.0 110.034 178.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.644 HG13 ' HB1' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -60.45 -48.37 88.69 Favored 'Isoleucine or valine' 0 C--O 1.248 0.992 0 CA-C-N 113.813 -1.54 . . . . 0.0 109.885 -178.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.46 HG22 ' O ' ' B' ' 73' ' ' GLU . 15.8 m -67.37 -34.53 69.45 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.512 0 C-N-CA 117.798 -1.561 . . . . 0.0 109.218 178.665 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 49.6 tp -56.49 -51.67 67.63 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 119.105 -1.038 . . . . 0.0 112.268 178.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 34.6 m -70.31 -34.93 60.47 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.344 0 C-N-CA 118.69 -1.204 . . . . 0.0 111.701 -178.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.715 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . . . -68.1 -47.98 66.72 Favored 'General case' 0 C--O 1.25 1.116 0 C-N-CA 118.969 -1.093 . . . . 0.0 111.53 -179.737 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.39 -39.82 95.56 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.199 179.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 5.7 mp -65.02 -34.29 78.08 Favored 'General case' 0 C--O 1.219 -0.505 0 C-N-CA 119.166 -1.014 . . . . 0.0 109.687 176.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 31.4 m -62.91 -50.27 71.53 Favored 'General case' 0 C--O 1.246 0.89 0 C-N-CA 119.795 -0.762 . . . . 0.0 111.176 179.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.414 HG21 ' HG2' ' A' ' 72' ' ' GLN . 12.8 p -64.09 -39.65 86.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 C-N-CA 118.91 -1.116 . . . . 0.0 111.015 179.226 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.46 ' O ' ' CD2' ' B' ' 88' ' ' PHE . . . -64.88 -34.41 78.32 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 120.282 -0.567 . . . . 0.0 109.79 178.781 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 46.1 t -62.85 -54.85 32.5 Favored 'General case' 0 CA--C 1.509 -0.621 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.574 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 36.9 t30 -56.14 -40.38 73.73 Favored 'General case' 0 C--O 1.239 0.518 0 C-N-CA 118.57 -1.252 . . . . 0.0 108.834 179.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . 0.654 ' O ' ' HB2' ' B' ' 91' ' ' GLU . 86.4 m-20 -59.63 -42.16 92.1 Favored 'General case' 0 C--O 1.202 -1.425 0 C-N-CA 120.183 -0.607 . . . . 0.0 110.486 178.702 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.533 ' O ' ' O ' ' B' ' 91' ' ' GLU . 75.9 m-85 -67.06 -35.07 79.05 Favored 'General case' 0 C--N 1.31 -1.129 0 C-N-CA 117.217 -1.793 . . . . 0.0 110.588 178.704 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -64.17 -62.03 1.88 Allowed 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 119.689 -0.805 . . . . 0.0 111.78 -178.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 90' ' ' TRP . . . . . 0.596 ' CD2' ' OH ' ' A' ' 26' ' ' TYR . 18.8 t-105 -69.98 -43.52 71.28 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.765 0.793 . . . . 0.0 111.544 178.705 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . 0.654 ' HB2' ' O ' ' B' ' 87' ' ' ASN . 69.6 mm-40 . . . . . 0 C--N 1.322 -0.589 0 CA-C-N 114.42 -1.264 . . . . 0.0 111.637 -178.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.498 ' N ' ' OE1' ' B' ' 40' ' ' GLU . 97.8 mt-10 . . . . . 0 C--O 1.234 0.284 0 CA-C-O 120.573 0.225 . . . . 0.0 111.167 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.742 HD23 ' O ' ' A' ' 4' ' ' LEU . 4.5 tt -61.34 -39.7 91.55 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.456 ' C ' ' OE1' ' A' ' 5' ' ' GLU . 8.0 tm-20 -62.45 -40.51 96.84 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 114.96 -1.018 . . . . 0.0 109.318 179.062 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.8 m -60.08 -39.65 86.82 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 178.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.83 -43.46 98.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.078 -0.964 . . . . 0.0 109.851 179.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 98.0 mtp -59.59 -41.28 89.91 Favored 'General case' 0 C--O 1.249 1.061 0 CA-C-O 121.971 0.891 . . . . 0.0 109.365 179.098 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -64.81 -36.04 83.05 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.191 178.246 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 48.6 m -64.47 -43.3 94.65 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 119.875 -0.73 . . . . 0.0 110.206 179.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 37.9 mt -61.71 -42.82 99.45 Favored 'General case' 0 C--O 1.242 0.664 0 C-N-CA 119.125 -1.03 . . . . 0.0 108.959 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 98.4 mt -62.09 -46.05 97.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 C-N-CA 119.733 -0.787 . . . . 0.0 111.427 178.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -61.71 -41.4 97.56 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 -179.016 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.402 HG21 HD12 ' B' ' 4' ' ' LEU . 14.4 m -73.48 -41.17 56.39 Favored 'Isoleucine or valine' 0 C--O 1.251 1.176 0 C-N-CA 119.326 -0.95 . . . . 0.0 111.583 -179.257 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -60.04 -47.92 83.86 Favored 'General case' 0 CA--C 1.512 -0.514 0 C-N-CA 118.912 -1.115 . . . . 0.0 109.837 177.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -63.25 -35.95 82.03 Favored 'General case' 0 CA--C 1.502 -0.893 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.006 178.246 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.582 ' O ' ' HB2' ' A' ' 21' ' ' LYS . . . -57.27 -51.44 69.34 Favored 'General case' 0 N--CA 1.437 -1.116 0 C-N-CA 118.86 -1.136 . . . . 0.0 109.768 -178.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.479 ' HB2' HD12 ' A' ' 36' ' ' LEU . 45.4 m80 -78.96 -52.97 7.53 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 114.618 1.34 . . . . 0.0 114.618 -179.69 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.482 ' OG ' ' O ' ' A' ' 25' ' ' LYS . 21.3 t -57.97 -42.97 86.18 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 118.392 -1.323 . . . . 0.0 108.909 -178.778 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.91 -45.96 78.41 Favored Glycine 0 C--N 1.345 1.074 0 O-C-N 124.259 0.975 . . . . 0.0 112.414 178.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.582 ' HB2' ' O ' ' A' ' 17' ' ' ALA . 6.4 ttpm? -59.97 -41.79 92.75 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 -178.717 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.476 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 77.4 mm-40 -128.75 149.4 50.72 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 -179.464 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.82 -132.8 52.39 Favored Glycine 0 CA--C 1.523 0.548 0 CA-C-N 114.986 -1.006 . . . . 0.0 113.442 176.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -80.17 125.43 29.82 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-N 114.643 -0.778 . . . . 0.0 109.818 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.482 ' O ' ' OG ' ' A' ' 19' ' ' SER . 33.0 mtmt -58.0 -32.16 67.64 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.346 -0.843 . . . . 0.0 113.087 -177.275 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.608 ' OH ' ' CE2' ' B' ' 90' ' ' TRP . 83.9 m-85 -105.53 18.01 22.92 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 -177.272 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.2 tptt -142.21 139.72 32.09 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 119.719 -0.792 . . . . 0.0 109.254 178.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.7 tp -106.82 128.82 54.59 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 -178.048 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 96.6 p -102.36 166.43 10.56 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.559 -0.292 . . . . 0.0 111.088 -178.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.3 ttpt -53.84 -48.27 70.13 Favored 'General case' 0 C--O 1.24 0.567 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -177.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.594 ' CG ' ' N ' ' A' ' 32' ' ' GLU . 56.1 pttt -60.38 -48.28 82.42 Favored 'General case' 0 N--CA 1.441 -0.908 0 C-N-CA 119.827 -0.749 . . . . 0.0 109.615 -178.321 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.594 ' N ' ' CG ' ' A' ' 31' ' ' LYS . 95.3 mt-10 -63.08 -50.4 70.72 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.34 -0.845 . . . . 0.0 112.487 -178.294 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.1 -36.05 78.65 Favored 'General case' 0 CA--C 1.5 -0.98 0 C-N-CA 118.465 -1.294 . . . . 0.0 110.138 -179.558 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.756 ' NZ ' HE21 ' A' ' 38' ' ' GLN . 13.2 tptp -56.02 -36.46 67.98 Favored 'General case' 0 N--CA 1.433 -1.308 0 C-N-CA 118.174 -1.41 . . . . 0.0 108.149 178.569 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.889 ' O ' HG23 ' A' ' 39' ' ' THR . 97.3 mt-10 -74.54 -41.18 61.04 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 179.236 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.74 HD23 ' O ' ' A' ' 36' ' ' LEU . 4.2 tt -65.96 -44.97 83.43 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 119.875 -0.73 . . . . 0.0 111.392 -176.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.569 ' O ' ' O ' ' A' ' 41' ' ' LEU . 1.2 mm? -64.41 -43.12 95.4 Favored 'General case' 0 C--O 1.226 -0.175 0 C-N-CA 118.729 -1.189 . . . . 0.0 110.836 179.666 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.756 HE21 ' NZ ' ' A' ' 34' ' ' LYS . 97.5 mt-30 -62.94 -38.87 92.77 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 120.315 -0.554 . . . . 0.0 111.28 179.27 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.889 HG23 ' O ' ' A' ' 35' ' ' GLU . 57.9 p -71.05 -33.44 70.28 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.507 -0.477 . . . . 0.0 111.556 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.498 ' OE1' ' N ' ' B' ' 3' ' ' GLU . 78.3 mm-40 -102.12 -59.46 1.7 Allowed 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 -179.051 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.569 ' O ' ' O ' ' A' ' 37' ' ' LEU . 42.3 mt -99.22 141.71 31.65 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.363 0.601 . . . . 0.0 111.5 -178.572 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.47 ' OG ' ' N ' ' A' ' 43' ' ' GLY . 27.3 p -114.61 -61.43 1.75 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.491 179.474 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.47 ' N ' ' OG ' ' A' ' 42' ' ' SER . . . -58.86 -39.27 93.72 Favored Glycine 0 CA--C 1.532 1.128 0 CA-C-N 115.86 -0.609 . . . . 0.0 114.017 -178.235 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -61.72 -51.95 66.27 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 117.925 0.862 . . . . 0.0 112.284 -178.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -73.32 -40.8 64.18 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 120.157 -0.617 . . . . 0.0 111.034 178.368 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -61.59 -33.56 74.1 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.581 -0.736 . . . . 0.0 112.026 -179.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.53 -34.91 71.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.278 -0.419 . . . . 0.0 112.038 -177.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.497 ' C ' ' H ' ' A' ' 50' ' ' ASP . 93.9 mm-40 -61.63 -34.37 75.55 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.184 -0.607 . . . . 0.0 109.748 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 49.2 tttp 66.91 -31.11 0.16 Allowed 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.925 179.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.497 ' H ' ' C ' ' A' ' 48' ' ' GLN . 88.2 m-20 -70.76 142.65 51.39 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.345 -0.542 . . . . 0.0 111.199 -179.767 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.7 m -72.86 -29.63 30.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.671 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -86.48 5.12 36.77 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.323 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.529 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -57.76 -38.6 75.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.905 -178.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.601 HG13 ' N ' ' A' ' 55' ' ' ASP . 7.2 p -59.72 -43.94 92.61 Favored 'Isoleucine or valine' 0 C--O 1.239 0.549 0 C-N-CA 119.848 -0.741 . . . . 0.0 109.97 179.242 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.601 ' N ' HG13 ' A' ' 54' ' ' VAL . 91.5 m-20 -61.66 -43.05 99.6 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.909 179.116 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -61.7 -38.9 89.56 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.301 178.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 53' ' ' ALA . 79.0 t -64.88 -44.47 96.23 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.752 -179.416 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.531 ' CE ' ' O ' ' A' ' 67' ' ' GLY . 0.0 OUTLIER -68.38 -33.11 73.66 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 -178.868 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.62 ' HZ3' ' CB ' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -59.38 -41.6 89.75 Favored 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 -177.597 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -73.3 -37.03 66.36 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 119.681 -0.807 . . . . 0.0 110.987 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.437 ' O ' ' CD ' ' A' ' 73' ' ' GLU . 87.2 mt -67.79 -33.98 75.89 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-N 115.929 -0.578 . . . . 0.0 112.466 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.5 ' OD1' ' OD1' ' A' ' 66' ' ' ASP . 43.8 t0 -75.79 91.82 2.99 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 118.73 -1.188 . . . . 0.0 111.958 -177.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 -65.8 -46.29 79.23 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 122.702 1.239 . . . . 0.0 110.914 176.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 31.4 m120 -59.18 -34.87 72.63 Favored 'General case' 0 C--N 1.299 -1.616 0 CA-C-N 112.263 -2.244 . . . . 0.0 113.036 -178.08 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.443 ' C ' ' OD2' ' A' ' 62' ' ' ASP . . . 89.42 4.21 74.05 Favored Glycine 0 CA--C 1.529 0.934 0 N-CA-C 108.107 -1.997 . . . . 0.0 108.107 -176.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.65 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 49.3 p30 -61.8 -32.13 72.4 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 114.034 -1.083 . . . . 0.0 112.933 -179.669 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.65 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 98.91 -4.1 59.0 Favored Glycine 0 CA--C 1.521 0.456 0 N-CA-C 109.133 -1.587 . . . . 0.0 109.133 -178.407 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.49 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 54.2 mp0 -112.9 156.48 22.89 Favored 'General case' 0 C--O 1.242 0.683 0 CA-C-N 114.468 -0.866 . . . . 0.0 111.057 178.478 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 53.1 t -104.27 132.37 50.98 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 CA-C-N 115.018 -0.992 . . . . 0.0 108.711 177.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -99.18 159.28 15.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.066 0.46 . . . . 0.0 111.121 -178.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -50.6 -44.34 56.95 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.693 -178.203 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.407 ' HG2' HG21 ' B' ' 83' ' ' VAL . 94.1 mt-30 -61.73 -40.48 95.22 Favored 'General case' 0 C--O 1.244 0.778 0 C-N-CA 119.742 -0.783 . . . . 0.0 110.836 178.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.437 ' CD ' ' O ' ' A' ' 61' ' ' LEU . 92.5 mt-10 -65.03 -41.5 95.19 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-O 122.125 0.964 . . . . 0.0 109.903 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.527 ' OH ' ' CD1' ' B' ' 4' ' ' LEU . 59.3 t80 -63.65 -40.87 97.94 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 114.588 -1.187 . . . . 0.0 109.902 178.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.601 HG13 ' HB1' ' B' ' 79' ' ' ALA . 0.5 OUTLIER -61.4 -48.64 87.94 Favored 'Isoleucine or valine' 0 C--O 1.247 0.946 0 CA-C-N 113.77 -1.559 . . . . 0.0 110.258 -179.179 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.408 HG22 ' O ' ' A' ' 73' ' ' GLU . 13.4 m -67.51 -34.42 68.29 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 C-N-CA 118.117 -1.433 . . . . 0.0 109.277 178.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 53.9 tp -56.7 -53.04 62.29 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 119.365 -0.934 . . . . 0.0 112.291 178.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.486 HG11 HD11 ' B' ' 4' ' ' LEU . 31.9 m -70.24 -35.82 64.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 118.777 -1.169 . . . . 0.0 111.916 -178.754 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.651 ' HB2' ' HB2' ' B' ' 79' ' ' ALA . . . -68.86 -48.36 63.64 Favored 'General case' 0 C--O 1.249 1.079 0 C-N-CA 119.077 -1.049 . . . . 0.0 111.728 -179.503 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.07 -40.22 97.02 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 179.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.6 mp -65.39 -33.96 77.19 Favored 'General case' 0 C--O 1.218 -0.569 0 C-N-CA 119.292 -0.963 . . . . 0.0 109.767 176.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 39.2 m -63.05 -49.86 72.89 Favored 'General case' 0 C--O 1.245 0.829 0 C-N-CA 119.605 -0.838 . . . . 0.0 111.306 179.719 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.419 HG21 ' HG2' ' B' ' 72' ' ' GLN . 13.3 p -64.12 -39.21 84.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 118.946 -1.102 . . . . 0.0 110.69 178.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.45 -29.9 70.63 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 121.052 0.454 . . . . 0.0 109.818 178.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 47.6 t -68.38 -54.49 16.91 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.506 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -56.13 -41.26 75.06 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 118.666 -1.214 . . . . 0.0 108.703 178.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -59.73 -38.0 80.47 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.961 178.061 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.528 ' O ' ' O ' ' A' ' 91' ' ' GLU . 67.6 t80 -63.71 -46.27 86.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.282 179.776 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -65.63 -54.25 30.24 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.412 -0.515 . . . . 0.0 112.099 -178.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.61 ' CE2' ' OH ' ' B' ' 26' ' ' TYR . 23.9 t-105 -65.07 -41.27 95.22 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-O 121.218 0.532 . . . . 0.0 112.369 179.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.528 ' O ' ' O ' ' A' ' 88' ' ' PHE . 1.3 tm-20 . . . . . 0 C--N 1.323 -0.58 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.961 -177.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . 0.498 ' N ' ' OE1' ' A' ' 40' ' ' GLU . 97.7 mt-10 . . . . . 0 C--O 1.234 0.261 0 CA-C-O 120.546 0.213 . . . . 0.0 111.153 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.725 HD23 ' O ' ' B' ' 4' ' ' LEU . 4.5 tt -61.32 -39.72 91.54 Favored 'General case' 0 C--O 1.238 0.467 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . 0.457 ' OE1' ' C ' ' B' ' 5' ' ' GLU . 8.0 tm-20 -62.41 -40.52 96.79 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 114.935 -1.03 . . . . 0.0 109.314 179.09 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 45.2 m -60.11 -39.58 86.68 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 178.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' B' ' 4' ' ' LEU . . . -62.83 -43.4 98.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.92 179.373 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 97.8 mtp -59.64 -41.34 90.3 Favored 'General case' 0 C--O 1.248 0.996 0 CA-C-O 121.906 0.86 . . . . 0.0 109.432 179.016 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -64.69 -36.78 85.38 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.128 178.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 45.5 m -63.63 -43.52 96.59 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 119.817 -0.753 . . . . 0.0 110.386 179.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 43.8 mt -61.9 -42.66 99.34 Favored 'General case' 0 C--O 1.242 0.673 0 C-N-CA 119.16 -1.016 . . . . 0.0 108.834 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 98.4 mt -61.97 -46.14 97.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 C-N-CA 119.697 -0.801 . . . . 0.0 111.465 178.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -61.65 -41.51 97.62 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 -178.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 14.3 m -73.41 -41.19 56.91 Favored 'Isoleucine or valine' 0 C--O 1.252 1.187 0 C-N-CA 119.217 -0.993 . . . . 0.0 111.6 -179.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 92.6 t80 -59.94 -47.99 83.53 Favored 'General case' 0 CA--C 1.51 -0.562 0 C-N-CA 118.974 -1.09 . . . . 0.0 109.848 177.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -63.31 -35.86 81.76 Favored 'General case' 0 CA--C 1.502 -0.887 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.97 178.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.587 ' O ' ' HB2' ' B' ' 21' ' ' LYS . . . -57.26 -51.45 69.3 Favored 'General case' 0 N--CA 1.435 -1.198 0 C-N-CA 118.902 -1.119 . . . . 0.0 109.865 -178.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.481 ' HB2' HD12 ' B' ' 36' ' ' LEU . 45.0 m80 -78.77 -53.17 7.4 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 114.595 1.332 . . . . 0.0 114.595 -179.728 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.486 ' OG ' ' O ' ' B' ' 25' ' ' LYS . 21.1 t -57.96 -42.94 86.02 Favored 'General case' 0 CA--C 1.52 -0.197 0 C-N-CA 118.477 -1.289 . . . . 0.0 108.982 -178.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.07 -45.87 78.12 Favored Glycine 0 C--N 1.346 1.088 0 O-C-N 124.23 0.956 . . . . 0.0 112.426 178.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . 0.587 ' HB2' ' O ' ' B' ' 17' ' ' ALA . 6.4 ttpm? -60.04 -41.65 92.74 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 -178.775 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.488 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 77.3 mm-40 -128.82 149.49 50.72 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 113.747 1.017 . . . . 0.0 113.747 -179.52 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.7 -132.8 52.14 Favored Glycine 0 CA--C 1.524 0.621 0 CA-C-N 114.952 -1.022 . . . . 0.0 113.346 176.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -80.12 125.43 29.8 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 114.629 -0.786 . . . . 0.0 109.862 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.486 ' O ' ' OG ' ' B' ' 19' ' ' SER . 32.9 mtmt -58.07 -32.06 67.67 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.354 -0.839 . . . . 0.0 113.095 -177.222 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.61 ' OH ' ' CE2' ' A' ' 90' ' ' TRP . 84.0 m-85 -105.52 17.97 22.98 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.921 0.712 . . . . 0.0 112.921 -177.323 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 39.7 tptt -142.1 139.87 32.33 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 119.687 -0.805 . . . . 0.0 109.339 178.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 17.5 tp -106.95 128.88 54.72 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 -178.094 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 96.4 p -102.45 166.44 10.54 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.064 -178.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 22.3 ttpt -53.82 -48.38 69.96 Favored 'General case' 0 C--O 1.24 0.557 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -177.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.6 ' HG3' ' N ' ' B' ' 32' ' ' GLU . 56.0 pttt -60.37 -48.17 82.92 Favored 'General case' 0 N--CA 1.44 -0.929 0 C-N-CA 119.706 -0.798 . . . . 0.0 109.706 -178.354 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.6 ' N ' ' HG3' ' B' ' 31' ' ' LYS . 95.2 mt-10 -63.05 -50.41 70.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.321 -0.854 . . . . 0.0 112.476 -178.374 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.06 -36.09 78.67 Favored 'General case' 0 CA--C 1.499 -1.007 0 C-N-CA 118.448 -1.301 . . . . 0.0 110.142 -179.522 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.767 ' NZ ' HE21 ' B' ' 38' ' ' GLN . 13.2 tptp -56.0 -36.45 67.93 Favored 'General case' 0 N--CA 1.434 -1.25 0 C-N-CA 118.208 -1.397 . . . . 0.0 108.085 178.626 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.889 ' O ' HG23 ' B' ' 39' ' ' THR . 97.4 mt-10 -74.59 -41.18 60.93 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 179.336 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.743 HD23 ' O ' ' B' ' 36' ' ' LEU . 4.2 tt -65.91 -44.96 83.67 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 119.866 -0.733 . . . . 0.0 111.475 -176.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.57 ' O ' ' O ' ' B' ' 41' ' ' LEU . 1.2 mm? -64.46 -43.1 95.28 Favored 'General case' 0 CA--C 1.52 -0.196 0 C-N-CA 118.728 -1.189 . . . . 0.0 110.752 179.63 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.767 HE21 ' NZ ' ' B' ' 34' ' ' LYS . 97.6 mt-30 -63.02 -38.83 92.76 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.357 -0.537 . . . . 0.0 111.206 179.373 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.889 HG23 ' O ' ' B' ' 35' ' ' GLU . 58.8 p -71.06 -33.4 70.23 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.533 -0.467 . . . . 0.0 111.633 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.498 ' OE1' ' N ' ' A' ' 3' ' ' GLU . 78.4 mm-40 -102.21 -59.37 1.71 Allowed 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 -179.07 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.57 ' O ' ' O ' ' B' ' 37' ' ' LEU . 42.6 mt -99.2 141.61 31.75 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.253 0.549 . . . . 0.0 111.594 -178.615 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.473 ' OG ' ' N ' ' B' ' 43' ' ' GLY . 27.5 p -114.57 -61.36 1.76 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.496 179.504 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . 0.473 ' N ' ' OG ' ' B' ' 42' ' ' SER . . . -58.91 -39.34 93.91 Favored Glycine 0 CA--C 1.531 1.079 0 CA-C-N 115.872 -0.604 . . . . 0.0 113.983 -178.213 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -61.66 -51.95 66.33 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 117.976 0.888 . . . . 0.0 112.337 -178.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -73.27 -40.85 64.26 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 120.155 -0.618 . . . . 0.0 111.042 178.314 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -61.51 -33.59 74.07 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.622 -0.717 . . . . 0.0 112.088 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.48 -34.95 71.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 112.05 -177.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.498 ' C ' ' H ' ' B' ' 50' ' ' ASP . 93.9 mm-40 -61.69 -34.32 75.54 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.133 -0.627 . . . . 0.0 109.744 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 49.2 tttp 66.84 -31.03 0.16 Allowed 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.93 179.612 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . 0.498 ' H ' ' C ' ' B' ' 48' ' ' GLN . 87.8 m-20 -70.75 142.51 51.41 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.406 -0.518 . . . . 0.0 111.223 -179.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 4.7 m -72.75 -29.66 30.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.629 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -86.5 5.13 36.84 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.276 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.53 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -57.71 -38.77 75.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.86 -178.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.616 HG13 ' N ' ' B' ' 55' ' ' ASP . 7.0 p -59.65 -43.87 92.22 Favored 'Isoleucine or valine' 0 C--O 1.239 0.538 0 C-N-CA 119.808 -0.757 . . . . 0.0 109.994 179.277 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.616 ' N ' HG13 ' B' ' 54' ' ' VAL . 91.6 m-20 -61.71 -42.98 99.67 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.873 179.131 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -61.68 -38.99 89.84 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.349 178.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.53 HG23 ' O ' ' B' ' 53' ' ' ALA . 79.0 t -64.9 -44.33 96.21 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.832 -179.46 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.53 ' CE ' ' O ' ' B' ' 67' ' ' GLY . 0.0 OUTLIER -68.45 -33.07 73.54 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 113.742 1.016 . . . . 0.0 113.742 -178.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . 0.606 ' CB ' ' NZ ' ' B' ' 59' ' ' LYS . 0.1 OUTLIER -59.34 -41.7 89.8 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -177.645 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -73.22 -37.02 66.57 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 119.716 -0.794 . . . . 0.0 111.061 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.438 ' O ' ' CD ' ' B' ' 73' ' ' GLU . 87.0 mt -67.72 -34.09 76.16 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 115.897 -0.592 . . . . 0.0 112.446 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.495 ' OD1' ' OD1' ' B' ' 66' ' ' ASP . 43.9 t0 -75.7 91.75 2.93 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 118.734 -1.186 . . . . 0.0 112.041 -177.618 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -65.67 -46.35 79.42 Favored 'General case' 0 CA--C 1.509 -0.634 0 CA-C-O 122.82 1.295 . . . . 0.0 110.99 176.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 31.4 m120 -59.18 -34.88 72.65 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-N 112.182 -2.281 . . . . 0.0 113.006 -178.049 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.443 ' C ' ' OD2' ' B' ' 62' ' ' ASP . . . 89.45 4.18 73.98 Favored Glycine 0 CA--C 1.528 0.89 0 N-CA-C 108.18 -1.968 . . . . 0.0 108.18 -176.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.647 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 49.7 p30 -61.73 -32.13 72.34 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 113.958 -1.121 . . . . 0.0 112.919 -179.675 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.647 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 98.85 -4.02 59.08 Favored Glycine 0 CA--C 1.521 0.417 0 N-CA-C 109.185 -1.566 . . . . 0.0 109.185 -178.332 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.521 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 54.2 mp0 -112.98 156.52 22.89 Favored 'General case' 0 C--O 1.243 0.717 0 CA-C-N 114.458 -0.871 . . . . 0.0 111.164 178.456 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 54.2 t -104.36 132.53 50.74 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 CA-C-N 115.08 -0.964 . . . . 0.0 108.626 178.081 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -98.9 159.2 15.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.072 0.463 . . . . 0.0 111.024 -178.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -50.71 -44.33 58.02 Favored 'General case' 0 C--O 1.22 -0.485 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.633 -178.473 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.419 ' HG2' HG21 ' A' ' 83' ' ' VAL . 94.1 mt-30 -61.73 -40.51 95.31 Favored 'General case' 0 C--O 1.244 0.791 0 C-N-CA 119.784 -0.766 . . . . 0.0 110.824 178.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.438 ' CD ' ' O ' ' B' ' 61' ' ' LEU . 92.7 mt-10 -64.99 -41.53 95.31 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-O 122.164 0.983 . . . . 0.0 109.931 179.791 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . 0.525 ' OH ' ' CD1' ' A' ' 4' ' ' LEU . 59.1 t80 -63.56 -40.98 98.37 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-N 114.518 -1.219 . . . . 0.0 109.913 178.734 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.613 HG13 ' HB1' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -61.47 -48.59 88.13 Favored 'Isoleucine or valine' 0 C--O 1.247 0.961 0 CA-C-N 113.708 -1.587 . . . . 0.0 110.27 -179.154 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.405 HG22 ' O ' ' B' ' 73' ' ' GLU . 13.3 m -67.49 -34.45 68.56 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 C-N-CA 118.093 -1.443 . . . . 0.0 109.241 178.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 54.0 tp -56.66 -52.99 62.79 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 119.415 -0.914 . . . . 0.0 112.293 178.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.487 HG11 HD11 ' A' ' 4' ' ' LEU . 31.9 m -70.34 -35.71 63.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 C-N-CA 118.832 -1.147 . . . . 0.0 111.945 -178.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.651 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . . . -68.96 -48.31 63.5 Favored 'General case' 0 C--O 1.249 1.053 0 C-N-CA 118.983 -1.087 . . . . 0.0 111.718 -179.537 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.09 -40.26 97.14 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 179.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 5.5 mp -65.34 -34.01 77.32 Favored 'General case' 0 C--O 1.218 -0.569 0 C-N-CA 119.237 -0.985 . . . . 0.0 109.77 176.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 39.3 m -62.98 -49.82 73.18 Favored 'General case' 0 C--O 1.244 0.771 0 C-N-CA 119.633 -0.827 . . . . 0.0 111.298 179.762 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.407 HG21 ' HG2' ' A' ' 72' ' ' GLN . 13.4 p -64.16 -39.23 84.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 C-N-CA 118.976 -1.09 . . . . 0.0 110.693 178.768 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.51 -29.74 70.42 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 121.116 0.484 . . . . 0.0 109.869 178.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 47.5 t -68.45 -54.49 16.67 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.554 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -56.16 -41.25 75.15 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 118.669 -1.213 . . . . 0.0 108.699 178.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -59.73 -37.98 80.45 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.955 178.112 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.518 ' O ' ' O ' ' B' ' 91' ' ' GLU . 67.7 t80 -63.81 -46.21 86.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.213 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -65.66 -54.27 29.83 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.431 -0.507 . . . . 0.0 112.028 -178.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 90' ' ' TRP . . . . . 0.608 ' CE2' ' OH ' ' A' ' 26' ' ' TYR . 23.8 t-105 -65.14 -41.19 95.0 Favored 'General case' 0 CA--C 1.52 -0.197 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . 0.518 ' O ' ' O ' ' B' ' 88' ' ' PHE . 1.3 tm-20 . . . . . 0 C--N 1.322 -0.611 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.914 -177.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 . . . . . 0 C--O 1.237 0.427 0 N-CA-C 113.472 0.916 . . . . 0.0 113.472 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.648 HD23 ' O ' ' A' ' 4' ' ' LEU . 2.1 tt -63.98 -42.43 97.24 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 118.069 -1.453 . . . . 0.0 107.89 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.602 ' OE2' HD22 ' B' ' 41' ' ' LEU . 72.0 mm-40 -66.15 -36.62 83.6 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.673 177.535 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 44.7 m -59.19 -42.07 90.02 Favored 'General case' 0 C--O 1.239 0.527 0 C-N-CA 119.475 -0.89 . . . . 0.0 108.925 179.241 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.31 -45.69 86.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.322 179.082 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 99.4 mtp -59.71 -41.02 89.9 Favored 'General case' 0 C--O 1.244 0.804 0 CA-C-O 121.453 0.644 . . . . 0.0 110.123 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -64.79 -36.62 84.9 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.731 177.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 55.3 m -63.64 -42.21 98.16 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 119.49 -0.884 . . . . 0.0 109.871 178.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 38.0 mt -59.55 -43.05 93.66 Favored 'General case' 0 C--O 1.24 0.566 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 98.3 mt -61.86 -45.49 98.58 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.12 0 CA-C-N 115.009 -0.996 . . . . 0.0 111.819 178.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -61.39 -41.34 96.95 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.551 0.575 . . . . 0.0 112.551 -178.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 16.0 m -72.81 -38.64 57.91 Favored 'Isoleucine or valine' 0 C--O 1.256 1.426 0 C-N-CA 118.701 -1.2 . . . . 0.0 110.107 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.588 ' O ' ' HD2' ' A' ' 18' ' ' HIS . 89.1 t80 -60.94 -42.7 98.73 Favored 'General case' 0 C--N 1.349 0.563 0 CA-C-O 122.119 0.961 . . . . 0.0 110.131 177.144 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -67.57 -33.84 75.84 Favored 'General case' 0 N--CA 1.435 -1.219 0 C-N-CA 119.65 -0.82 . . . . 0.0 109.199 177.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.557 ' O ' ' HB2' ' A' ' 21' ' ' LYS . . . -59.63 -51.13 71.15 Favored 'General case' 0 N--CA 1.437 -1.121 0 C-N-CA 118.795 -1.162 . . . . 0.0 111.079 -178.697 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.588 ' HD2' ' O ' ' A' ' 15' ' ' PHE . 0.5 OUTLIER -80.76 -49.11 11.57 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 117.127 -1.829 . . . . 0.0 113.753 179.864 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.564 ' H ' ' CD2' ' A' ' 18' ' ' HIS . 22.9 t -60.86 -41.0 95.06 Favored 'General case' 0 C--N 1.35 0.61 0 C-N-CA 118.318 -1.353 . . . . 0.0 109.542 -179.54 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.21 -45.18 62.56 Favored Glycine 0 C--N 1.343 0.937 0 O-C-N 123.976 0.798 . . . . 0.0 112.086 178.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.557 ' HB2' ' O ' ' A' ' 17' ' ' ALA . 6.1 ttpm? -59.43 -41.87 90.55 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.225 -0.59 . . . . 0.0 112.114 -179.399 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.439 ' C ' ' OE2' ' A' ' 32' ' ' GLU . 97.1 mt-10 -129.18 153.29 47.87 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 54.6 -146.05 26.97 Favored Glycine 0 N--CA 1.465 0.573 0 CA-C-N 115.551 -0.749 . . . . 0.0 112.461 177.577 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -71.07 138.04 49.45 Favored 'General case' 0 CA--C 1.52 -0.181 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 179.255 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.49 ' O ' ' OG ' ' A' ' 19' ' ' SER . 34.5 mtmt -61.26 -32.28 72.09 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 -178.269 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.617 ' OH ' ' CD2' ' B' ' 90' ' ' TRP . 97.6 m-85 -107.17 18.82 21.22 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 113.472 0.916 . . . . 0.0 113.472 -177.423 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.6 tptt -140.83 139.63 34.53 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 119.238 -0.985 . . . . 0.0 108.82 177.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.513 HD22 ' CE1' ' A' ' 18' ' ' HIS . 18.5 tp -112.46 132.02 55.27 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 111.979 0.362 . . . . 0.0 111.979 -176.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 91.7 p -102.76 164.71 11.47 Favored 'General case' 0 C--O 1.239 0.522 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 179.158 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.0 ttpt -53.51 -45.97 69.91 Favored 'General case' 0 C--O 1.243 0.72 0 CA-C-O 121.346 0.593 . . . . 0.0 111.941 -177.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.591 ' HG3' ' N ' ' A' ' 32' ' ' GLU . 55.1 pttt -59.29 -46.77 87.65 Favored 'General case' 0 N--CA 1.438 -1.067 0 C-N-CA 119.779 -0.769 . . . . 0.0 109.909 -178.651 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.591 ' N ' ' HG3' ' A' ' 31' ' ' LYS . 94.0 mt-10 -62.04 -49.23 76.85 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 119.619 -0.833 . . . . 0.0 111.815 -177.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.45 HD22 HG21 ' A' ' 69' ' ' VAL . 0.1 OUTLIER -58.48 -37.57 75.81 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 116.393 -2.123 . . . . 0.0 108.712 178.551 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.783 ' NZ ' HE21 ' A' ' 38' ' ' GLN . 13.2 tptp -53.66 -36.59 62.29 Favored 'General case' 0 N--CA 1.441 -0.924 0 C-N-CA 117.934 -1.506 . . . . 0.0 108.227 -178.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.896 ' O ' HG23 ' A' ' 39' ' ' THR . 97.1 mt-10 -73.02 -43.44 62.1 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 120.093 -0.643 . . . . 0.0 112.289 178.678 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.829 HD23 ' O ' ' A' ' 36' ' ' LEU . 5.5 tt -68.06 -47.76 67.45 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 118.764 -1.174 . . . . 0.0 112.125 -177.587 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.549 ' O ' ' O ' ' A' ' 41' ' ' LEU . 1.8 mm? -59.09 -42.46 90.52 Favored 'General case' 0 CA--C 1.518 -0.251 0 C-N-CA 118.287 -1.365 . . . . 0.0 109.998 -178.656 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.783 HE21 ' NZ ' ' A' ' 34' ' ' LYS . 97.8 mt-30 -64.53 -39.95 94.72 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.245 -0.582 . . . . 0.0 111.955 178.487 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.896 HG23 ' O ' ' A' ' 35' ' ' GLU . 60.0 p -70.32 -40.81 73.95 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 120.034 -0.666 . . . . 0.0 112.617 -178.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -92.12 -50.88 5.45 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.593 HD22 ' OE2' ' B' ' 5' ' ' GLU . 26.1 mt -103.47 141.77 35.41 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-O 121.289 0.566 . . . . 0.0 112.014 -177.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.1 m -113.35 -65.41 1.19 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.243 178.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.15 -38.02 92.54 Favored Glycine 0 CA--C 1.533 1.17 0 CA-C-N 115.457 -0.792 . . . . 0.0 114.121 -178.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -59.92 -53.03 62.62 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 118.154 0.977 . . . . 0.0 112.393 -177.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -74.16 -37.23 64.07 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 120.517 -0.473 . . . . 0.0 111.564 178.325 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -59.06 -29.6 67.43 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.503 -179.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.21 -29.84 58.77 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.728 -177.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.2 mm-40 -92.46 118.42 30.94 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 119.482 -0.887 . . . . 0.0 109.854 179.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -63.31 -36.53 83.98 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 113.758 1.021 . . . . 0.0 113.758 -179.028 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -70.38 142.34 52.1 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 -177.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.4 m -74.03 -27.34 22.1 Favored 'Isoleucine or valine' 0 C--O 1.231 0.1 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.323 178.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -78.73 0.07 28.24 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.488 179.423 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.457 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -56.91 -37.25 71.17 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.262 -0.881 . . . . 0.0 109.994 -179.383 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.605 HG13 ' N ' ' A' ' 55' ' ' ASP . 8.0 p -60.19 -43.04 92.33 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 C-N-CA 119.802 -0.759 . . . . 0.0 109.768 178.72 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.605 ' N ' HG13 ' A' ' 54' ' ' VAL . 22.0 t70 -61.51 -42.39 98.73 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 179.062 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -61.68 -39.49 91.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.762 179.198 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 53' ' ' ALA . 77.1 t -65.68 -45.23 92.63 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 CA-C-N 116.081 -0.508 . . . . 0.0 112.077 -179.47 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.5 ppp? -66.62 -33.38 75.52 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 -177.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 29.1 mmtm -59.31 -39.86 84.39 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 118.871 -1.132 . . . . 0.0 110.423 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -64.08 -38.9 92.75 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.476 178.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 63.5 mt -67.89 -35.84 79.19 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-N 115.481 -0.782 . . . . 0.0 112.303 -178.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.487 ' CG ' ' H ' ' A' ' 65' ' ' GLY . 44.1 t0 -72.09 73.83 0.92 Allowed 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 118.414 -1.314 . . . . 0.0 110.577 -178.138 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -63.24 -37.83 88.79 Favored 'General case' 0 CA--C 1.497 -1.077 0 N-CA-C 106.986 -1.487 . . . . 0.0 106.986 175.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.475 ' OD1' ' CG ' ' A' ' 66' ' ' ASP . 18.1 t-20 -58.05 -39.8 79.35 Favored 'General case' 0 N--CA 1.43 -1.461 0 CA-C-N 111.583 -2.553 . . . . 0.0 111.289 178.51 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.487 ' H ' ' CG ' ' A' ' 62' ' ' ASP . . . 79.9 18.9 71.48 Favored Glycine 0 CA--C 1.53 0.99 0 CA-C-N 116.252 -0.431 . . . . 0.0 112.881 178.069 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.512 ' O ' ' OE1' ' A' ' 68' ' ' GLU . 54.9 p30 -89.59 2.29 54.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 117.487 0.644 . . . . 0.0 112.666 -179.543 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 87.68 -2.8 86.22 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.221 -1.152 . . . . 0.0 110.221 179.242 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.512 ' OE1' ' O ' ' A' ' 66' ' ' ASP . 51.5 mp0 -120.5 158.94 26.2 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.842 -0.679 . . . . 0.0 111.338 179.52 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.45 HG21 HD22 ' A' ' 33' ' ' LEU . 48.7 t -104.71 130.14 56.14 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 N-CA-C 106.724 -1.584 . . . . 0.0 106.724 176.34 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -101.84 161.72 13.45 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.226 0.536 . . . . 0.0 111.584 -177.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -50.26 -43.8 53.41 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-N 115.401 -0.818 . . . . 0.0 108.984 -178.559 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -61.76 -40.14 94.07 Favored 'General case' 0 C--O 1.245 0.833 0 C-N-CA 119.83 -0.748 . . . . 0.0 110.686 178.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.477 ' O ' HG22 ' A' ' 76' ' ' VAL . 74.2 mt-10 -64.69 -42.44 95.32 Favored 'General case' 0 C--O 1.242 0.705 0 CA-C-O 122.263 1.03 . . . . 0.0 109.85 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -63.12 -41.32 99.32 Favored 'General case' 0 C--O 1.241 0.623 0 CA-C-N 114.653 -1.158 . . . . 0.0 110.321 178.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.607 HG13 ' HB1' ' B' ' 79' ' ' ALA . 0.5 OUTLIER -59.94 -47.96 89.64 Favored 'Isoleucine or valine' 0 C--O 1.248 1.01 0 CA-C-N 113.623 -1.626 . . . . 0.0 109.967 -179.163 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.477 HG22 ' O ' ' A' ' 73' ' ' GLU . 15.5 m -67.27 -34.86 71.8 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.573 0 C-N-CA 117.804 -1.559 . . . . 0.0 109.386 178.566 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.572 ' O ' HD13 ' A' ' 81' ' ' LEU . 34.8 tp -56.56 -51.81 67.17 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 118.793 -1.163 . . . . 0.0 111.992 178.276 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 35.5 m -68.84 -36.27 73.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 118.316 -1.354 . . . . 0.0 111.738 -178.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.67 ' HB2' ' HB2' ' B' ' 79' ' ' ALA . . . -68.4 -47.8 66.38 Favored 'General case' 0 C--O 1.248 1.006 0 C-N-CA 119.064 -1.054 . . . . 0.0 111.991 -179.369 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.25 -40.07 96.4 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 179.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.572 HD13 ' O ' ' A' ' 77' ' ' LEU . 9.2 mp -64.36 -34.93 79.3 Favored 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 119.231 -0.988 . . . . 0.0 109.684 176.652 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 36.6 m -63.18 -49.84 72.69 Favored 'General case' 0 C--O 1.246 0.88 0 C-N-CA 119.853 -0.739 . . . . 0.0 111.638 179.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.43 ' O ' ' OD1' ' A' ' 87' ' ' ASN . 14.5 p -63.1 -39.21 84.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 118.956 -1.097 . . . . 0.0 110.29 178.697 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.44 -30.72 71.54 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 121.035 0.445 . . . . 0.0 110.041 178.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 5.5 t -67.13 -54.23 23.23 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.35 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 35.0 t30 -56.07 -41.29 74.89 Favored 'General case' 0 C--O 1.239 0.513 0 C-N-CA 118.703 -1.199 . . . . 0.0 108.777 179.048 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.715 ' O ' ' HB2' ' A' ' 91' ' ' GLU . 25.3 m120 -59.95 -41.69 92.4 Favored 'General case' 0 C--O 1.203 -1.366 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.203 178.374 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.549 ' O ' ' O ' ' A' ' 91' ' ' GLU . 68.0 t80 -64.32 -41.6 96.74 Favored 'General case' 0 C--N 1.302 -1.486 0 C-N-CA 118.214 -1.394 . . . . 0.0 111.096 179.357 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -64.91 -59.83 3.75 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 119.907 -0.717 . . . . 0.0 112.272 -178.342 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.615 ' CD2' ' OH ' ' B' ' 26' ' ' TYR . 21.2 t-105 -68.09 -42.59 80.12 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 119.898 -0.721 . . . . 0.0 111.777 179.184 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.715 ' HB2' ' O ' ' A' ' 87' ' ' ASN . 60.4 mm-40 . . . . . 0 C--N 1.322 -0.621 0 CA-C-N 114.751 -1.113 . . . . 0.0 111.708 -179.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 . . . . . 0 C--O 1.238 0.461 0 N-CA-C 113.507 0.928 . . . . 0.0 113.507 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.643 HD23 ' O ' ' B' ' 4' ' ' LEU . 2.1 tt -63.98 -42.47 97.22 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 118.027 -1.469 . . . . 0.0 107.906 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . 0.593 ' OE2' HD22 ' A' ' 41' ' ' LEU . 72.1 mm-40 -66.01 -36.65 83.84 Favored 'General case' 0 C--O 1.22 -0.47 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.726 177.434 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 44.2 m -59.29 -41.83 89.86 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 119.469 -0.892 . . . . 0.0 108.888 179.301 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.55 -45.61 86.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.407 179.04 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 99.3 mtp -59.69 -41.02 89.79 Favored 'General case' 0 C--O 1.246 0.889 0 CA-C-O 121.429 0.633 . . . . 0.0 110.21 179.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -64.74 -37.32 87.2 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.619 178.01 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 54.0 m -62.84 -42.46 99.75 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 119.456 -0.898 . . . . 0.0 110.042 178.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 43.2 mt -59.48 -43.02 93.36 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 98.3 mt -61.71 -45.55 98.43 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.121 0 CA-C-N 115.006 -0.997 . . . . 0.0 111.796 178.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -61.35 -41.44 97.06 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 -178.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 16.0 m -72.83 -38.65 57.74 Favored 'Isoleucine or valine' 0 C--O 1.256 1.398 0 C-N-CA 118.723 -1.191 . . . . 0.0 110.112 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.599 ' O ' ' HD2' ' B' ' 18' ' ' HIS . 88.9 t80 -60.83 -42.79 98.41 Favored 'General case' 0 C--N 1.348 0.511 0 CA-C-O 122.192 0.996 . . . . 0.0 110.205 177.034 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -67.56 -33.84 75.86 Favored 'General case' 0 N--CA 1.435 -1.186 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.207 177.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.558 ' O ' ' HB2' ' B' ' 21' ' ' LYS . . . -59.7 -51.04 71.5 Favored 'General case' 0 N--CA 1.435 -1.184 0 C-N-CA 118.82 -1.152 . . . . 0.0 111.118 -178.707 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.599 ' HD2' ' O ' ' B' ' 15' ' ' PHE . 0.5 OUTLIER -80.77 -49.12 11.55 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 117.165 -1.814 . . . . 0.0 113.738 179.859 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.574 ' H ' ' CD2' ' B' ' 18' ' ' HIS . 23.2 t -60.89 -40.97 95.06 Favored 'General case' 0 C--N 1.349 0.586 0 C-N-CA 118.278 -1.369 . . . . 0.0 109.593 -179.552 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.26 -45.14 62.46 Favored Glycine 0 C--N 1.344 0.984 0 CA-C-N 115.524 -0.762 . . . . 0.0 112.037 178.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . 0.558 ' HB2' ' O ' ' B' ' 17' ' ' ALA . 6.1 ttpm? -59.39 -41.96 90.6 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.214 -0.594 . . . . 0.0 112.074 -179.388 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.44 ' C ' ' OE2' ' B' ' 32' ' ' GLU . 97.2 mt-10 -129.09 153.36 47.72 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 54.45 -145.88 26.6 Favored Glycine 0 N--CA 1.465 0.602 0 CA-C-N 115.607 -0.724 . . . . 0.0 112.458 177.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -71.12 138.06 49.37 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 179.375 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.495 ' O ' ' OG ' ' B' ' 19' ' ' SER . 34.6 mtmt -61.36 -32.28 72.18 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -178.296 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.615 ' OH ' ' CD2' ' A' ' 90' ' ' TRP . 97.7 m-85 -107.09 18.76 21.33 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 -177.505 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 31.6 tptt -140.74 139.77 34.72 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 119.238 -0.985 . . . . 0.0 108.991 177.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.512 HD22 ' CE1' ' B' ' 18' ' ' HIS . 18.4 tp -112.57 132.0 55.34 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -176.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 91.7 p -102.78 164.8 11.42 Favored 'General case' 0 C--O 1.238 0.485 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 179.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 20.0 ttpt -53.69 -45.83 70.51 Favored 'General case' 0 C--O 1.243 0.75 0 CA-C-O 121.258 0.552 . . . . 0.0 111.947 -176.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.593 ' HG3' ' N ' ' B' ' 32' ' ' GLU . 55.1 pttt -59.39 -46.74 87.83 Favored 'General case' 0 N--CA 1.439 -1.022 0 C-N-CA 119.737 -0.785 . . . . 0.0 109.848 -178.665 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.593 ' N ' ' HG3' ' B' ' 31' ' ' LYS . 94.0 mt-10 -61.98 -49.24 76.86 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 119.656 -0.818 . . . . 0.0 111.802 -177.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.434 HD22 HG21 ' B' ' 69' ' ' VAL . 0.1 OUTLIER -58.51 -37.57 75.87 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 116.464 -2.094 . . . . 0.0 108.662 178.564 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.802 ' HZ1' HE21 ' B' ' 38' ' ' GLN . 13.2 tptp -53.66 -36.62 62.32 Favored 'General case' 0 N--CA 1.441 -0.896 0 C-N-CA 117.944 -1.503 . . . . 0.0 108.227 -178.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.896 ' O ' HG23 ' B' ' 39' ' ' THR . 97.1 mt-10 -73.04 -43.39 62.08 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 120.062 -0.655 . . . . 0.0 112.28 178.692 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.835 HD23 ' O ' ' B' ' 36' ' ' LEU . 5.5 tt -68.15 -47.68 67.4 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 118.678 -1.209 . . . . 0.0 112.16 -177.567 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.55 ' O ' ' O ' ' B' ' 41' ' ' LEU . 1.8 mm? -58.97 -42.52 90.14 Favored 'General case' 0 CA--C 1.518 -0.254 0 C-N-CA 118.3 -1.36 . . . . 0.0 110.052 -178.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.802 HE21 ' HZ1' ' B' ' 34' ' ' LYS . 97.9 mt-30 -64.59 -40.0 94.74 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.274 -0.57 . . . . 0.0 111.9 178.581 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.896 HG23 ' O ' ' B' ' 35' ' ' GLU . 59.5 p -70.25 -40.75 74.24 Favored 'General case' 0 N--CA 1.462 0.163 0 C-N-CA 119.955 -0.698 . . . . 0.0 112.635 -178.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -92.17 -50.86 5.46 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.602 HD22 ' OE2' ' A' ' 5' ' ' GLU . 26.1 mt -103.41 141.68 35.55 Favored 'General case' 0 N--CA 1.461 0.09 0 CA-C-O 121.228 0.537 . . . . 0.0 112.079 -178.036 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.1 m -113.34 -65.33 1.2 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.217 178.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.12 -38.08 92.57 Favored Glycine 0 CA--C 1.533 1.191 0 CA-C-N 115.565 -0.743 . . . . 0.0 114.167 -178.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -59.91 -53.01 62.9 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 118.071 0.935 . . . . 0.0 112.379 -177.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -74.13 -37.31 64.12 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 120.578 -0.449 . . . . 0.0 111.538 178.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -59.07 -29.58 67.43 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.49 -179.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.21 -29.81 58.69 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.714 -177.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 89.2 mm-40 -92.5 118.41 30.95 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 119.589 -0.844 . . . . 0.0 109.768 179.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -63.4 -36.47 83.84 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 113.782 1.031 . . . . 0.0 113.782 -179.047 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -70.43 142.29 52.01 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.727 0.639 . . . . 0.0 112.727 -177.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 4.4 m -73.92 -27.38 22.4 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.373 178.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -78.68 -0.08 28.66 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.23 -0.895 . . . . 0.0 109.419 179.439 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.447 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -56.79 -37.3 70.93 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.07 -179.413 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.602 HG13 ' N ' ' B' ' 55' ' ' ASP . 7.9 p -60.1 -43.1 92.11 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.298 0 C-N-CA 119.828 -0.749 . . . . 0.0 109.816 178.675 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.602 ' N ' HG13 ' B' ' 54' ' ' VAL . 22.0 t70 -61.57 -42.35 98.72 Favored 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 179.106 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -61.69 -39.52 91.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.845 179.109 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.447 HG23 ' O ' ' B' ' 53' ' ' ALA . 76.6 t -65.63 -45.21 92.86 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 CA-C-N 116.068 -0.515 . . . . 0.0 112.137 -179.574 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 1.5 ppp? -66.59 -33.35 75.47 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 114.66 1.356 . . . . 0.0 114.66 -177.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 29.1 mmtm -59.4 -39.82 84.63 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 118.853 -1.139 . . . . 0.0 110.325 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -64.13 -38.82 92.45 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.116 0.484 . . . . 0.0 110.541 178.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 63.6 mt -67.91 -35.89 79.25 Favored 'General case' 0 CA--C 1.511 -0.552 0 CA-C-N 115.503 -0.772 . . . . 0.0 112.265 -178.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.493 ' CG ' ' H ' ' B' ' 65' ' ' GLY . 44.0 t0 -72.11 73.83 0.92 Allowed 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 118.386 -1.326 . . . . 0.0 110.616 -178.163 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -63.16 -37.83 88.76 Favored 'General case' 0 CA--C 1.498 -1.034 0 N-CA-C 107.027 -1.472 . . . . 0.0 107.027 175.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.479 ' OD1' ' OD2' ' B' ' 66' ' ' ASP . 18.1 t-20 -58.12 -39.76 79.51 Favored 'General case' 0 N--CA 1.43 -1.449 0 CA-C-N 111.555 -2.566 . . . . 0.0 111.234 178.532 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.493 ' H ' ' CG ' ' B' ' 62' ' ' ASP . . . 79.93 18.84 71.55 Favored Glycine 0 CA--C 1.53 0.996 0 C-N-CA 121.39 -0.433 . . . . 0.0 112.891 178.101 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.518 ' O ' ' OE1' ' B' ' 68' ' ' GLU . 54.7 p30 -89.59 2.39 54.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 117.499 0.649 . . . . 0.0 112.717 -179.559 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 87.62 -2.8 86.31 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.145 -1.182 . . . . 0.0 110.145 179.185 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.518 ' OE1' ' O ' ' B' ' 66' ' ' ASP . 51.7 mp0 -120.52 159.0 26.07 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.922 -0.639 . . . . 0.0 111.26 179.519 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.434 HG21 HD22 ' B' ' 33' ' ' LEU . 48.7 t -104.71 130.14 56.12 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.657 0 N-CA-C 106.791 -1.559 . . . . 0.0 106.791 176.316 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -101.37 161.63 13.49 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.126 0.488 . . . . 0.0 111.575 -177.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -50.4 -43.78 54.75 Favored 'General case' 0 C--O 1.219 -0.506 0 CA-C-N 115.484 -0.78 . . . . 0.0 108.937 -178.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -61.85 -40.07 94.05 Favored 'General case' 0 C--O 1.244 0.815 0 C-N-CA 119.708 -0.797 . . . . 0.0 110.684 178.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.472 ' O ' HG22 ' B' ' 76' ' ' VAL . 74.3 mt-10 -64.65 -42.42 95.43 Favored 'General case' 0 C--O 1.242 0.684 0 CA-C-O 122.181 0.991 . . . . 0.0 109.843 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -63.09 -41.39 99.38 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-N 114.677 -1.147 . . . . 0.0 110.288 178.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.62 HG13 ' HB1' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -59.95 -47.94 89.73 Favored 'Isoleucine or valine' 0 C--O 1.248 1.013 0 CA-C-N 113.645 -1.616 . . . . 0.0 109.886 -179.07 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.472 HG22 ' O ' ' B' ' 73' ' ' GLU . 15.8 m -67.34 -34.79 71.15 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.556 0 C-N-CA 117.836 -1.546 . . . . 0.0 109.357 178.647 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.576 ' O ' HD13 ' B' ' 81' ' ' LEU . 34.5 tp -56.6 -51.89 66.91 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 118.732 -1.187 . . . . 0.0 111.969 178.232 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 35.5 m -68.68 -36.37 74.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 C-N-CA 118.33 -1.348 . . . . 0.0 111.773 -178.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.67 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . . . -68.34 -47.92 66.21 Favored 'General case' 0 C--O 1.249 1.035 0 C-N-CA 119.137 -1.025 . . . . 0.0 111.933 -179.282 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.14 -40.11 96.63 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 179.457 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.576 HD13 ' O ' ' B' ' 77' ' ' LEU . 9.1 mp -64.33 -35.06 79.65 Favored 'General case' 0 N--CA 1.445 -0.708 0 C-N-CA 119.106 -1.038 . . . . 0.0 109.709 176.639 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 36.3 m -62.92 -49.88 73.05 Favored 'General case' 0 C--O 1.246 0.877 0 C-N-CA 119.849 -0.74 . . . . 0.0 111.699 179.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.442 ' O ' ' OD1' ' B' ' 87' ' ' ASN . 14.5 p -63.06 -39.27 84.57 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 119.029 -1.069 . . . . 0.0 110.321 178.688 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.48 -30.58 71.38 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-O 121.026 0.441 . . . . 0.0 110.049 178.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 5.5 t -67.23 -54.2 23.14 Favored 'General case' 0 CA--C 1.509 -0.623 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.341 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 35.0 t30 -56.09 -41.29 74.96 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 118.747 -1.181 . . . . 0.0 108.824 179.01 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . 0.714 ' O ' ' HB2' ' B' ' 91' ' ' GLU . 25.2 m120 -59.87 -41.79 92.3 Favored 'General case' 0 C--O 1.202 -1.443 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.19 178.337 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.559 ' O ' ' O ' ' B' ' 91' ' ' GLU . 67.9 t80 -64.24 -41.63 96.88 Favored 'General case' 0 C--N 1.302 -1.483 0 C-N-CA 118.183 -1.407 . . . . 0.0 111.135 179.35 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -64.95 -59.85 3.7 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 119.92 -0.712 . . . . 0.0 112.202 -178.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 90' ' ' TRP . . . . . 0.617 ' CD2' ' OH ' ' A' ' 26' ' ' TYR . 21.1 t-105 -68.09 -42.57 80.16 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 119.935 -0.706 . . . . 0.0 111.816 179.169 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . 0.714 ' HB2' ' O ' ' B' ' 87' ' ' ASN . 60.7 mm-40 . . . . . 0 C--N 1.321 -0.671 0 CA-C-N 114.696 -1.138 . . . . 0.0 111.815 -179.132 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 . . . . . 0 N--CA 1.462 0.149 0 N-CA-C 113.585 0.957 . . . . 0.0 113.585 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.598 HD23 ' O ' ' A' ' 4' ' ' LEU . 5.8 tt -64.05 -42.33 97.08 Favored 'General case' 0 C--O 1.244 0.774 0 C-N-CA 118.414 -1.314 . . . . 0.0 108.519 -179.69 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.454 ' C ' ' OE1' ' A' ' 5' ' ' GLU . 6.6 tm-20 -64.4 -40.42 95.75 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 114.643 -1.162 . . . . 0.0 109.57 179.575 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 44.9 m -60.07 -40.31 89.08 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.459 179.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.1 -44.43 92.32 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.157 179.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 97.7 mtp -58.53 -41.14 84.84 Favored 'General case' 0 C--O 1.25 1.08 0 CA-C-O 121.846 0.831 . . . . 0.0 109.204 178.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -65.2 -35.29 80.6 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.135 -0.939 . . . . 0.0 110.385 178.007 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 47.6 m -64.17 -43.26 95.68 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 119.847 -0.741 . . . . 0.0 110.029 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 40.4 mt -62.43 -42.86 99.76 Favored 'General case' 0 C--O 1.239 0.534 0 C-N-CA 119.378 -0.929 . . . . 0.0 109.092 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.2 -46.53 96.25 Favored 'Isoleucine or valine' 0 C--O 1.232 0.141 0 C-N-CA 119.873 -0.731 . . . . 0.0 111.54 178.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -61.92 -41.47 97.98 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 -178.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.1 m -73.72 -40.79 54.5 Favored 'Isoleucine or valine' 0 C--O 1.254 1.305 0 C-N-CA 119.104 -1.038 . . . . 0.0 111.399 -179.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -60.36 -47.23 86.96 Favored 'General case' 0 CA--C 1.508 -0.664 0 C-N-CA 119.458 -0.897 . . . . 0.0 109.51 177.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -64.79 -34.94 79.53 Favored 'General case' 0 CA--C 1.503 -0.854 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.218 178.105 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.54 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . -58.05 -52.36 65.86 Favored 'General case' 0 N--CA 1.436 -1.133 0 C-N-CA 118.749 -1.18 . . . . 0.0 110.039 -178.571 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.594 ' HA ' ' HZ1' ' A' ' 21' ' ' LYS . 17.0 m-70 -78.81 -49.03 13.66 Favored 'General case' 0 C--N 1.319 -0.748 0 C-N-CA 118.777 -1.169 . . . . 0.0 113.886 -179.681 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 46.9 t -58.31 -43.14 88.03 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 119.615 -0.834 . . . . 0.0 110.629 -179.111 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -75.35 -44.2 22.87 Favored Glycine 0 CA--C 1.526 0.723 0 C-N-CA 120.778 -0.725 . . . . 0.0 111.757 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.594 ' HZ1' ' HA ' ' A' ' 18' ' ' HIS . 7.2 ttpm? -59.21 -41.51 88.77 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 -178.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.604 ' OE2' ' NZ ' ' A' ' 31' ' ' LYS . 85.1 tt0 -124.32 141.56 51.97 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -177.72 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.48 -142.83 48.49 Favored Glycine 0 C--N 1.335 0.496 0 CA-C-N 114.936 -1.029 . . . . 0.0 112.548 178.145 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -70.3 146.02 50.86 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 115.12 -0.54 . . . . 0.0 109.841 179.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.6 mtmm -86.64 149.21 25.07 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 -179.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.534 ' OH ' ' CE3' ' B' ' 90' ' ' TRP . 89.2 m-85 61.22 13.39 4.78 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.4 tptt -138.25 131.34 30.04 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 106.327 -1.731 . . . . 0.0 106.327 175.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.5 tp -108.82 131.36 55.06 Favored 'General case' 0 C--O 1.213 -0.86 0 C-N-CA 120.312 -0.555 . . . . 0.0 110.327 -176.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.8 m -102.6 161.49 13.69 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.4 ttpm? -53.12 -46.88 68.94 Favored 'General case' 0 C--O 1.244 0.779 0 CA-C-O 121.571 0.701 . . . . 0.0 111.823 -177.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.604 ' NZ ' ' OE2' ' A' ' 22' ' ' GLU . 15.6 pttp -59.51 -47.18 86.52 Favored 'General case' 0 N--CA 1.437 -1.086 0 CA-C-N 115.318 -0.855 . . . . 0.0 109.961 -178.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.585 ' N ' ' HG3' ' A' ' 31' ' ' LYS . 95.5 mt-10 -63.52 -47.99 79.4 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 115.61 -0.723 . . . . 0.0 112.302 -178.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 pp -61.9 -34.18 75.57 Favored 'General case' 0 CA--C 1.499 -0.983 0 C-N-CA 118.472 -1.291 . . . . 0.0 109.855 -179.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.656 ' NZ ' HE22 ' A' ' 38' ' ' GLN . 1.2 tptm -54.43 -37.09 64.73 Favored 'General case' 0 N--CA 1.437 -1.09 0 C-N-CA 117.567 -1.653 . . . . 0.0 107.986 177.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.702 ' O ' HG23 ' A' ' 39' ' ' THR . 96.8 mt-10 -75.08 -41.74 58.23 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 179.111 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.727 HD23 ' O ' ' A' ' 36' ' ' LEU . 1.6 tt -64.21 -45.65 87.32 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 120.057 -0.657 . . . . 0.0 111.27 -177.386 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.575 ' O ' ' O ' ' A' ' 41' ' ' LEU . 1.1 mm? -64.7 -43.35 93.77 Favored 'General case' 0 CA--C 1.519 -0.213 0 C-N-CA 119.03 -1.068 . . . . 0.0 111.31 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.656 HE22 ' NZ ' ' A' ' 34' ' ' LYS . 95.6 mt-30 -63.22 -39.03 93.47 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.212 -0.595 . . . . 0.0 111.376 179.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.702 HG23 ' O ' ' A' ' 35' ' ' GLU . 76.6 p -72.63 -33.05 66.38 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.45 -0.5 . . . . 0.0 111.857 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -100.23 -59.04 1.78 Allowed 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 -179.178 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.575 ' O ' ' O ' ' A' ' 37' ' ' LEU . 56.4 mt -100.82 141.45 33.68 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.346 0.593 . . . . 0.0 111.763 -178.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.2 m -112.24 -63.04 1.48 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.508 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.62 -38.83 92.4 Favored Glycine 0 CA--C 1.531 1.057 0 CA-C-N 115.777 -0.647 . . . . 0.0 114.169 -177.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -61.11 -52.11 66.27 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 118.082 0.941 . . . . 0.0 112.237 -178.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -74.08 -40.87 62.46 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 120.274 -0.57 . . . . 0.0 110.958 178.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -61.15 -33.75 73.9 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.615 -0.72 . . . . 0.0 112.12 -179.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.68 -34.3 71.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 112.014 -177.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.526 ' C ' ' H ' ' A' ' 50' ' ' ASP . 94.4 mm-40 -61.43 -34.4 75.33 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 120.153 -0.619 . . . . 0.0 109.874 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 85.4 tttt 65.27 -28.72 0.11 Allowed 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.819 179.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.526 ' H ' ' C ' ' A' ' 48' ' ' GLN . 87.8 m-20 -70.64 142.84 51.59 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.524 -0.47 . . . . 0.0 111.171 -179.746 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.7 m -72.57 -29.61 31.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.508 179.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -87.74 6.49 34.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.439 179.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.452 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -57.51 -39.96 77.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.768 -178.712 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.6 HG13 ' N ' ' A' ' 55' ' ' ASP . 8.1 p -60.45 -43.03 93.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 C-N-CA 119.807 -0.757 . . . . 0.0 110.091 178.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.6 ' N ' HG13 ' A' ' 54' ' ' VAL . 85.8 m-20 -61.15 -43.24 99.18 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.808 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -62.4 -40.04 95.19 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.967 179.291 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 53' ' ' ALA . 72.7 t -67.05 -47.9 80.74 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.215 0 N-CA-C 113.45 0.907 . . . . 0.0 113.45 -178.301 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.486 ' C ' ' SD ' ' A' ' 58' ' ' MET . 1.0 OUTLIER -70.89 -36.49 72.78 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 114.361 1.245 . . . . 0.0 114.361 -178.198 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 29.1 mmtm -60.51 -40.27 90.78 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 119.328 -0.949 . . . . 0.0 111.775 -179.371 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -64.35 -41.3 96.83 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.051 -0.659 . . . . 0.0 110.419 179.254 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.484 HD11 HD22 ' A' ' 77' ' ' LEU . 84.4 mt -68.83 -33.45 73.85 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.06 -0.973 . . . . 0.0 112.859 -179.576 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.479 ' OD1' ' OD1' ' A' ' 66' ' ' ASP . 51.0 t0 -72.72 84.67 1.19 Allowed 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 118.809 -1.156 . . . . 0.0 110.816 -177.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -63.14 -46.98 84.69 Favored 'General case' 0 CA--C 1.506 -0.749 0 CA-C-O 122.449 1.118 . . . . 0.0 111.085 177.233 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 31.9 m120 -59.03 -35.43 73.28 Favored 'General case' 0 C--N 1.3 -1.564 0 CA-C-N 112.842 -1.981 . . . . 0.0 111.321 -179.08 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 79.58 20.06 69.7 Favored Glycine 0 CA--C 1.519 0.335 0 N-CA-C 108.376 -1.89 . . . . 0.0 108.376 -177.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.513 ' O ' ' OE1' ' A' ' 68' ' ' GLU . 22.2 p-10 -86.64 1.8 50.61 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 112.675 0.621 . . . . 0.0 112.675 -178.329 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 85.06 -1.1 89.0 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.8 -0.92 . . . . 0.0 110.8 178.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.513 ' OE1' ' O ' ' A' ' 66' ' ' ASP . 53.4 mp0 -121.54 156.11 33.56 Favored 'General case' 0 C--O 1.239 0.531 0 CA-C-O 121.864 0.84 . . . . 0.0 111.754 179.48 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.0 t -107.08 132.03 55.54 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.759 0 N-CA-C 106.331 -1.729 . . . . 0.0 106.331 176.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.54 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 51.3 t0 -99.61 160.17 14.49 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.223 0.535 . . . . 0.0 111.621 -177.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.54 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 1.0 OUTLIER -50.15 -43.93 52.32 Favored 'General case' 0 C--O 1.217 -0.654 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.331 -178.427 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.413 ' HG2' HG21 ' B' ' 83' ' ' VAL . 94.4 mt-30 -61.62 -40.34 94.48 Favored 'General case' 0 C--O 1.247 0.932 0 C-N-CA 119.535 -0.866 . . . . 0.0 110.645 178.713 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.483 ' OE1' ' O ' ' A' ' 61' ' ' LEU . 85.1 mt-10 -64.71 -42.23 95.43 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-O 122.212 1.006 . . . . 0.0 109.925 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -63.64 -40.83 97.85 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-N 114.721 -1.127 . . . . 0.0 109.952 178.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.596 HG13 ' HB1' ' B' ' 79' ' ' ALA . 0.5 OUTLIER -60.71 -47.8 91.5 Favored 'Isoleucine or valine' 0 C--O 1.246 0.881 0 CA-C-N 113.872 -1.513 . . . . 0.0 109.842 -178.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.466 HG22 ' O ' ' A' ' 73' ' ' GLU . 15.0 m -67.65 -34.1 65.93 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.506 0 C-N-CA 117.786 -1.565 . . . . 0.0 109.177 178.547 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.484 HD22 HD11 ' A' ' 61' ' ' LEU . 53.1 tp -56.86 -52.29 65.71 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 119.013 -1.075 . . . . 0.0 112.319 178.371 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 35.0 m -70.18 -35.48 63.54 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.29 0 C-N-CA 118.735 -1.186 . . . . 0.0 111.761 -178.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.665 ' HB2' ' HB2' ' B' ' 79' ' ' ALA . . . -68.71 -47.57 66.03 Favored 'General case' 0 C--O 1.247 0.969 0 C-N-CA 119.073 -1.051 . . . . 0.0 111.692 -179.718 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.25 -40.35 97.18 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 179.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.8 mp -65.85 -33.88 76.87 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 119.277 -0.969 . . . . 0.0 109.818 176.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 40.2 m -62.88 -50.63 70.13 Favored 'General case' 0 C--O 1.245 0.827 0 C-N-CA 119.744 -0.782 . . . . 0.0 111.193 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.413 HG21 ' HG2' ' B' ' 72' ' ' GLN . 13.2 p -64.33 -38.4 82.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 C-N-CA 119.523 -0.871 . . . . 0.0 110.759 178.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.48 -31.46 72.55 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-O 121.193 0.521 . . . . 0.0 109.841 178.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 36.7 t -68.67 -55.11 12.51 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.912 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -56.56 -41.89 77.66 Favored 'General case' 0 C--O 1.239 0.502 0 C-N-CA 118.607 -1.237 . . . . 0.0 109.016 179.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -60.05 -37.9 81.21 Favored 'General case' 0 C--O 1.219 -0.523 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 178.355 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.523 ' O ' ' O ' ' A' ' 91' ' ' GLU . 67.4 t80 -62.36 -45.53 92.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.933 -179.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -66.43 -54.83 19.68 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 120.274 -0.571 . . . . 0.0 112.228 -179.186 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.488 ' CD1' ' C ' ' A' ' 90' ' ' TRP . 23.6 t-105 -64.6 -40.86 96.26 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.279 0.562 . . . . 0.0 112.49 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.523 ' O ' ' O ' ' A' ' 88' ' ' PHE . 1.4 tm-20 . . . . . 0 C--N 1.318 -0.788 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.568 -177.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 . . . . . 0 C--O 1.232 0.154 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.588 HD23 ' O ' ' B' ' 4' ' ' LEU . 5.7 tt -63.95 -42.45 97.31 Favored 'General case' 0 C--O 1.243 0.749 0 C-N-CA 118.493 -1.283 . . . . 0.0 108.533 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . 0.455 ' OE1' ' C ' ' B' ' 5' ' ' GLU . 6.6 tm-20 -64.41 -40.36 95.62 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 114.596 -1.184 . . . . 0.0 109.602 179.584 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 44.9 m -60.15 -40.17 88.9 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.494 178.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.14 -44.43 92.16 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.123 179.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 97.7 mtp -58.63 -41.18 85.38 Favored 'General case' 0 C--O 1.25 1.092 0 CA-C-O 121.844 0.83 . . . . 0.0 109.18 178.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -65.12 -36.17 83.44 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.285 178.086 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 43.7 m -63.01 -43.67 98.13 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 119.944 -0.702 . . . . 0.0 110.23 179.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 46.4 mt -62.49 -42.8 99.74 Favored 'General case' 0 C--O 1.238 0.493 0 C-N-CA 119.491 -0.883 . . . . 0.0 109.031 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.06 -46.55 96.22 Favored 'Isoleucine or valine' 0 C--O 1.231 0.127 0 C-N-CA 119.852 -0.739 . . . . 0.0 111.613 178.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -61.94 -41.48 98.01 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -178.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 17.1 m -73.74 -40.84 54.4 Favored 'Isoleucine or valine' 0 C--O 1.253 1.257 0 C-N-CA 119.037 -1.065 . . . . 0.0 111.391 -179.327 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -60.18 -47.37 86.25 Favored 'General case' 0 CA--C 1.508 -0.663 0 C-N-CA 119.445 -0.902 . . . . 0.0 109.553 177.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -64.69 -34.95 79.51 Favored 'General case' 0 CA--C 1.502 -0.868 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.331 178.128 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.543 ' O ' ' CB ' ' B' ' 21' ' ' LYS . . . -58.03 -52.32 66.01 Favored 'General case' 0 N--CA 1.436 -1.151 0 C-N-CA 118.697 -1.201 . . . . 0.0 110.138 -178.682 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.604 ' HA ' ' HZ1' ' B' ' 21' ' ' LYS . 16.7 m-70 -78.8 -49.14 13.48 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 118.791 -1.163 . . . . 0.0 113.78 -179.684 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 46.9 t -58.25 -43.14 87.72 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 119.55 -0.86 . . . . 0.0 110.725 -179.125 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -75.38 -44.1 22.99 Favored Glycine 0 CA--C 1.527 0.824 0 C-N-CA 120.742 -0.742 . . . . 0.0 111.784 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . 0.604 ' HZ1' ' HA ' ' B' ' 18' ' ' HIS . 7.2 ttpm? -59.3 -41.43 88.99 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 -178.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.604 ' OE2' ' NZ ' ' B' ' 31' ' ' LYS . 85.1 tt0 -124.31 141.67 51.89 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 113.172 0.804 . . . . 0.0 113.172 -177.798 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.4 -142.84 48.51 Favored Glycine 0 N--CA 1.464 0.509 0 CA-C-N 114.881 -1.054 . . . . 0.0 112.53 178.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -70.27 145.86 51.01 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 115.119 -0.54 . . . . 0.0 109.868 179.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 27.6 mtmm -86.45 149.27 25.1 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 -179.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.441 ' OH ' ' CE3' ' A' ' 90' ' ' TRP . 88.9 m-85 61.13 13.41 4.7 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.222 0.452 . . . . 0.0 112.222 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 30.0 tptt -138.21 131.61 30.56 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 106.345 -1.724 . . . . 0.0 106.345 175.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 14.4 tp -108.99 131.26 55.23 Favored 'General case' 0 C--O 1.213 -0.851 0 C-N-CA 120.327 -0.549 . . . . 0.0 110.439 -176.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 71.2 m -102.65 161.47 13.71 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 5.4 ttpm? -53.03 -46.98 68.68 Favored 'General case' 0 C--O 1.245 0.824 0 CA-C-O 121.579 0.704 . . . . 0.0 111.765 -177.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.604 ' NZ ' ' OE2' ' B' ' 22' ' ' GLU . 15.6 pttp -59.52 -47.15 86.64 Favored 'General case' 0 N--CA 1.438 -1.057 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.898 -178.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.584 ' N ' ' HG3' ' B' ' 31' ' ' LYS . 95.5 mt-10 -63.51 -47.96 79.54 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.641 -0.708 . . . . 0.0 112.333 -178.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 pp -61.9 -34.16 75.54 Favored 'General case' 0 CA--C 1.498 -1.033 0 C-N-CA 118.523 -1.271 . . . . 0.0 109.931 -179.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.68 ' NZ ' HE22 ' B' ' 38' ' ' GLN . 1.2 tptm -54.44 -37.14 64.81 Favored 'General case' 0 N--CA 1.437 -1.119 0 C-N-CA 117.65 -1.62 . . . . 0.0 107.938 177.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.705 ' O ' HG23 ' B' ' 39' ' ' THR . 96.9 mt-10 -75.08 -41.75 58.17 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 179.135 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.731 HD23 ' O ' ' B' ' 36' ' ' LEU . 1.7 tt -64.26 -45.59 87.42 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 120.018 -0.673 . . . . 0.0 111.212 -177.356 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.572 ' O ' ' O ' ' B' ' 41' ' ' LEU . 1.1 mm? -64.68 -43.47 93.44 Favored 'General case' 0 N--CA 1.462 0.166 0 C-N-CA 118.978 -1.089 . . . . 0.0 111.297 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.68 HE22 ' NZ ' ' B' ' 34' ' ' LYS . 95.5 mt-30 -63.1 -39.05 93.56 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.144 -0.623 . . . . 0.0 111.491 179.741 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.705 HG23 ' O ' ' B' ' 35' ' ' GLU . 74.5 p -72.57 -33.12 66.54 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.365 -0.534 . . . . 0.0 111.916 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -100.17 -58.94 1.8 Allowed 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 -179.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.572 ' O ' ' O ' ' B' ' 37' ' ' LEU . 56.6 mt -100.89 141.42 33.8 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 121.337 0.589 . . . . 0.0 111.774 -178.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.2 m -112.25 -63.12 1.47 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.514 179.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.56 -38.88 92.34 Favored Glycine 0 CA--C 1.53 1.005 0 CA-C-N 115.754 -0.657 . . . . 0.0 114.191 -178.021 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -61.09 -52.05 66.54 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 118.099 0.95 . . . . 0.0 112.269 -178.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -74.13 -40.74 62.44 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 120.182 -0.607 . . . . 0.0 110.995 178.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -61.21 -33.82 74.09 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.622 -0.717 . . . . 0.0 112.01 -179.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.6 -34.44 71.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.967 -177.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.537 ' C ' ' H ' ' B' ' 50' ' ' ASP . 94.4 mm-40 -61.42 -34.43 75.37 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.191 -0.604 . . . . 0.0 109.782 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 85.4 tttt 65.28 -28.8 0.11 Allowed 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.87 179.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . 0.537 ' H ' ' C ' ' B' ' 48' ' ' GLN . 87.8 m-20 -70.56 142.82 51.74 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.422 -0.511 . . . . 0.0 111.26 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 4.7 m -72.55 -29.66 31.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.456 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -87.69 6.54 34.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.414 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.447 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -57.62 -39.94 78.05 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.72 -178.679 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.604 HG13 ' N ' ' B' ' 55' ' ' ASP . 8.1 p -60.47 -43.03 93.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 C-N-CA 119.867 -0.733 . . . . 0.0 110.071 179.001 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.604 ' N ' HG13 ' B' ' 54' ' ' VAL . 85.7 m-20 -61.08 -43.33 99.05 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.551 -0.749 . . . . 0.0 109.765 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -62.51 -39.83 94.79 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.964 179.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.447 HG23 ' O ' ' B' ' 53' ' ' ALA . 72.7 t -67.13 -47.84 80.57 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.27 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -178.334 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.485 ' C ' ' SD ' ' B' ' 58' ' ' MET . 1.0 OUTLIER -70.95 -36.39 72.56 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 114.364 1.246 . . . . 0.0 114.364 -178.229 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 29.2 mmtm -60.59 -40.27 91.15 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 119.372 -0.931 . . . . 0.0 111.778 -179.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -64.32 -41.35 96.87 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.041 -0.663 . . . . 0.0 110.499 179.17 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.504 HD11 HD22 ' B' ' 77' ' ' LEU . 84.4 mt -68.73 -33.46 73.96 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.095 -0.957 . . . . 0.0 112.927 -179.701 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.479 ' OD1' ' OD1' ' B' ' 66' ' ' ASP . 51.0 t0 -72.74 84.65 1.19 Allowed 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 118.783 -1.167 . . . . 0.0 110.86 -177.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -63.08 -47.02 84.66 Favored 'General case' 0 CA--C 1.505 -0.759 0 CA-C-O 122.491 1.139 . . . . 0.0 111.127 177.214 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 32.0 m120 -58.93 -35.5 73.21 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-N 112.813 -1.994 . . . . 0.0 111.354 -179.173 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 79.57 20.04 69.76 Favored Glycine 0 CA--C 1.519 0.34 0 N-CA-C 108.404 -1.878 . . . . 0.0 108.404 -177.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.522 ' O ' ' OE1' ' B' ' 68' ' ' GLU . 22.2 p-10 -86.52 1.76 50.42 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -178.399 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 85.15 -1.31 88.78 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.807 -0.917 . . . . 0.0 110.807 178.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.522 ' OE1' ' O ' ' B' ' 66' ' ' ASP . 53.4 mp0 -121.48 156.21 33.27 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-O 121.953 0.882 . . . . 0.0 111.726 179.465 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 35.7 t -107.06 131.98 55.64 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.753 0 N-CA-C 106.412 -1.699 . . . . 0.0 106.412 176.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.547 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 50.0 t0 -99.05 160.08 14.51 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.077 0.465 . . . . 0.0 111.668 -177.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.547 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 1.0 OUTLIER -50.32 -43.93 54.05 Favored 'General case' 0 C--O 1.217 -0.651 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.233 -178.775 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.413 ' HG2' HG21 ' A' ' 83' ' ' VAL . 94.4 mt-30 -61.57 -40.5 94.95 Favored 'General case' 0 C--O 1.246 0.907 0 C-N-CA 119.617 -0.833 . . . . 0.0 110.599 178.74 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.484 ' OE1' ' O ' ' B' ' 61' ' ' LEU . 85.2 mt-10 -64.67 -42.2 95.54 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-O 122.176 0.989 . . . . 0.0 109.9 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -63.69 -40.6 97.21 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 114.72 -1.127 . . . . 0.0 110.081 178.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.609 HG13 ' HB1' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -60.86 -47.82 91.64 Favored 'Isoleucine or valine' 0 C--O 1.246 0.915 0 CA-C-N 113.792 -1.549 . . . . 0.0 109.813 -179.036 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.463 HG22 ' O ' ' B' ' 73' ' ' GLU . 14.9 m -67.59 -34.1 66.13 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.529 0 C-N-CA 117.805 -1.558 . . . . 0.0 109.218 178.522 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.504 HD22 HD11 ' B' ' 61' ' ' LEU . 53.0 tp -56.89 -52.19 66.14 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 119.064 -1.054 . . . . 0.0 112.341 178.406 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 35.0 m -70.35 -35.34 62.06 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.262 0 C-N-CA 118.735 -1.186 . . . . 0.0 111.686 -178.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.665 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . . . -68.9 -47.45 65.8 Favored 'General case' 0 C--O 1.247 0.933 0 C-N-CA 119.005 -1.078 . . . . 0.0 111.641 -179.659 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.38 -40.24 96.69 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 5.7 mp -65.76 -33.98 77.11 Favored 'General case' 0 C--O 1.22 -0.458 0 C-N-CA 119.265 -0.974 . . . . 0.0 109.876 176.522 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 39.5 m -62.79 -50.66 70.15 Favored 'General case' 0 C--O 1.244 0.785 0 C-N-CA 119.763 -0.775 . . . . 0.0 111.145 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.413 HG21 ' HG2' ' A' ' 72' ' ' GLN . 13.3 p -64.35 -38.5 82.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.575 0 C-N-CA 119.526 -0.87 . . . . 0.0 110.714 178.729 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.27 -31.48 72.65 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 121.229 0.537 . . . . 0.0 109.96 178.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 36.8 t -68.73 -55.19 12.15 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.887 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -56.5 -41.88 77.43 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 118.646 -1.221 . . . . 0.0 109.08 179.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -60.03 -37.98 81.35 Favored 'General case' 0 C--O 1.219 -0.521 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 178.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.525 ' O ' ' O ' ' B' ' 91' ' ' GLU . 67.4 t80 -62.31 -45.65 92.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.869 -179.699 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -66.34 -54.92 18.94 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 120.298 -0.561 . . . . 0.0 112.167 -179.125 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 90' ' ' TRP . . . . . 0.534 ' CE3' ' OH ' ' A' ' 26' ' ' TYR . 23.5 t-105 -64.53 -40.99 96.63 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.318 0.58 . . . . 0.0 112.501 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . 0.525 ' O ' ' O ' ' B' ' 88' ' ' PHE . 1.4 tm-20 . . . . . 0 C--N 1.318 -0.773 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.553 -177.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 . . . . . 0 C--O 1.237 0.438 0 N-CA-C 113.484 0.92 . . . . 0.0 113.484 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.646 HD23 ' O ' ' A' ' 4' ' ' LEU . 2.1 tt -63.42 -42.52 98.73 Favored 'General case' 0 C--O 1.24 0.569 0 C-N-CA 117.976 -1.49 . . . . 0.0 108.032 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.604 ' OE2' HD22 ' B' ' 41' ' ' LEU . 72.1 mm-40 -66.16 -36.85 84.19 Favored 'General case' 0 C--O 1.219 -0.513 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.92 177.499 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 44.4 m -59.0 -42.04 89.13 Favored 'General case' 0 C--O 1.24 0.557 0 C-N-CA 119.432 -0.907 . . . . 0.0 108.877 179.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.29 -46.08 85.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.312 179.189 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 99.4 mtp -59.68 -40.95 89.53 Favored 'General case' 0 C--O 1.245 0.868 0 CA-C-O 121.401 0.62 . . . . 0.0 110.322 179.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.83 -36.6 84.85 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.711 177.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 58.7 m -63.78 -42.23 97.79 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 119.448 -0.901 . . . . 0.0 110.026 178.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 38.2 mt -59.34 -43.14 92.8 Favored 'General case' 0 C--O 1.239 0.53 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 179.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 98.0 mt -61.79 -45.59 98.36 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.112 0 CA-C-N 114.873 -1.058 . . . . 0.0 111.84 178.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -61.33 -41.41 96.98 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -178.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.4 m -72.79 -38.98 58.87 Favored 'Isoleucine or valine' 0 C--O 1.255 1.378 0 C-N-CA 118.831 -1.148 . . . . 0.0 110.413 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.601 ' O ' ' HD2' ' A' ' 18' ' ' HIS . 88.8 t80 -60.76 -42.44 97.46 Favored 'General case' 0 C--N 1.348 0.539 0 C-N-CA 119.184 -1.007 . . . . 0.0 109.873 177.063 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -67.62 -33.89 75.89 Favored 'General case' 0 C--N 1.309 -1.179 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.185 178.024 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.57 ' O ' ' HB2' ' A' ' 21' ' ' LYS . . . -59.88 -50.77 72.46 Favored 'General case' 0 N--CA 1.437 -1.109 0 C-N-CA 118.834 -1.146 . . . . 0.0 111.056 -178.677 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.601 ' HD2' ' O ' ' A' ' 15' ' ' PHE . 0.5 OUTLIER -80.74 -49.21 11.45 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 117.177 -1.809 . . . . 0.0 113.7 179.909 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.563 ' H ' ' CD2' ' A' ' 18' ' ' HIS . 22.9 t -60.58 -41.17 94.11 Favored 'General case' 0 C--N 1.352 0.702 0 C-N-CA 118.454 -1.298 . . . . 0.0 109.473 -179.707 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -70.0 -43.92 63.28 Favored Glycine 0 C--N 1.343 0.948 0 CA-C-N 115.518 -0.764 . . . . 0.0 112.15 178.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.57 ' HB2' ' O ' ' A' ' 17' ' ' ALA . 5.8 ttpm? -59.04 -42.25 89.81 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 119.978 -0.689 . . . . 0.0 111.619 -179.581 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.432 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 97.1 mt-10 -129.46 151.77 49.73 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 112.824 0.676 . . . . 0.0 112.824 179.37 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.08 -148.98 31.7 Favored Glycine 0 CA--C 1.523 0.565 0 CA-C-N 115.707 -0.679 . . . . 0.0 112.305 177.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -70.9 139.91 50.88 Favored 'General case' 0 C--O 1.234 0.252 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 179.185 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.487 ' O ' ' OG ' ' A' ' 19' ' ' SER . 36.4 mtmt -60.96 -31.75 71.3 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.141 -178.447 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.612 ' OH ' ' CD2' ' B' ' 90' ' ' TRP . 98.2 m-85 -106.5 19.57 20.3 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 -177.46 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.8 tptt -138.47 138.12 37.8 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 119.105 -1.038 . . . . 0.0 108.814 178.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.506 HD11 ' ND1' ' A' ' 18' ' ' HIS . 18.4 tp -112.37 131.66 55.42 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.345 -0.542 . . . . 0.0 111.522 -177.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.4 t -103.21 159.98 15.06 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.744 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.1 ttpt -52.1 -44.12 64.27 Favored 'General case' 0 C--O 1.239 0.542 0 C-N-CA 120.227 -0.589 . . . . 0.0 111.122 -178.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.584 ' CG ' ' N ' ' A' ' 32' ' ' GLU . 56.4 pttt -58.89 -46.79 87.0 Favored 'General case' 0 N--CA 1.438 -1.04 0 C-N-CA 119.901 -0.72 . . . . 0.0 109.471 -178.749 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.584 ' N ' ' CG ' ' A' ' 31' ' ' LYS . 92.4 mt-10 -62.68 -50.17 72.21 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 119.826 -0.75 . . . . 0.0 112.0 -177.749 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.13 -37.08 76.37 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 116.806 -1.958 . . . . 0.0 109.11 178.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.735 ' NZ ' HE22 ' A' ' 38' ' ' GLN . 0.8 OUTLIER -53.56 -36.59 62.03 Favored 'General case' 0 N--CA 1.44 -0.948 0 C-N-CA 118.192 -1.403 . . . . 0.0 108.039 -179.531 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.891 ' O ' HG23 ' A' ' 39' ' ' THR . 97.0 mt-10 -74.1 -43.61 56.98 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 178.612 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.826 HD23 ' O ' ' A' ' 36' ' ' LEU . 5.4 tt -67.91 -48.0 67.2 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 118.728 -1.189 . . . . 0.0 112.425 -177.116 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.54 ' O ' ' O ' ' A' ' 41' ' ' LEU . 1.5 mm? -59.36 -42.32 91.31 Favored 'General case' 0 CA--C 1.518 -0.283 0 C-N-CA 118.264 -1.375 . . . . 0.0 109.998 -178.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.735 HE22 ' NZ ' ' A' ' 34' ' ' LYS . 95.1 mt-30 -64.62 -39.94 94.61 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.421 -0.512 . . . . 0.0 111.768 179.007 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.891 HG23 ' O ' ' A' ' 35' ' ' GLU . 59.3 p -71.04 -41.15 71.17 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -179.049 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -91.44 -49.63 6.23 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 120.494 -0.482 . . . . 0.0 112.249 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.595 HD22 ' OE2' ' B' ' 5' ' ' GLU . 28.7 mt -103.71 141.69 35.63 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 121.184 0.516 . . . . 0.0 111.997 -178.325 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.1 m -113.66 -65.45 1.18 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.029 178.337 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.78 -38.29 91.8 Favored Glycine 0 CA--C 1.532 1.138 0 CA-C-N 115.537 -0.756 . . . . 0.0 114.136 -178.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -60.44 -53.34 58.76 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 118.113 0.956 . . . . 0.0 112.379 -177.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -74.08 -38.88 63.78 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 120.429 -0.508 . . . . 0.0 111.094 178.072 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -59.6 -30.2 68.51 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.14 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.13 -31.43 61.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.122 -177.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -95.84 115.76 27.91 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 119.561 -0.856 . . . . 0.0 109.067 178.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -63.22 -39.13 93.74 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 114.004 1.112 . . . . 0.0 114.004 -178.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -69.69 142.53 53.34 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.041 0.756 . . . . 0.0 113.041 -177.027 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.561 ' O ' HG12 ' A' ' 54' ' ' VAL . 4.8 m -72.23 -27.67 27.23 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.201 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 177.429 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -61.06 -23.55 65.54 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 114.06 -1.427 . . . . 0.0 109.146 178.072 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.408 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -51.91 -37.56 52.95 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.735 -177.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.561 HG12 ' O ' ' A' ' 51' ' ' VAL . 10.8 p -59.97 -43.26 92.01 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 C-N-CA 119.303 -0.959 . . . . 0.0 109.8 178.318 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.559 ' N ' HG13 ' A' ' 54' ' ' VAL . 91.3 m-20 -61.29 -42.37 98.54 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 120.134 -0.627 . . . . 0.0 109.344 179.123 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 41.6 mttp -60.76 -38.98 87.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.211 179.344 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 53' ' ' ALA . 78.1 t -66.4 -46.1 87.63 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.455 0 CA-C-N 115.932 -0.576 . . . . 0.0 112.515 -179.347 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -72.42 -34.95 68.21 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 114.996 1.48 . . . . 0.0 114.996 -178.421 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.9 mmtm -59.95 -39.65 86.32 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 119.636 -0.826 . . . . 0.0 112.953 -178.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -70.09 -35.33 74.1 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 119.335 -0.946 . . . . 0.0 109.854 179.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 63' ' ' GLU . 91.3 mt -67.42 -35.45 79.29 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-N 115.754 -0.657 . . . . 0.0 112.113 179.478 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.425 ' CG ' ' H ' ' A' ' 65' ' ' GLY . 45.1 t0 -71.32 73.85 0.71 Allowed 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 118.34 -1.344 . . . . 0.0 109.945 -179.084 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 61' ' ' LEU . 87.7 tt0 -63.54 -38.09 89.79 Favored 'General case' 0 CA--C 1.498 -1.053 0 CA-C-O 123.072 1.415 . . . . 0.0 107.35 176.539 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.485 ' OD1' ' OD2' ' A' ' 66' ' ' ASP . 16.7 t-20 -57.98 -39.64 78.69 Favored 'General case' 0 N--CA 1.429 -1.503 0 CA-C-N 111.607 -2.542 . . . . 0.0 111.331 178.713 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.425 ' H ' ' CG ' ' A' ' 62' ' ' ASP . . . 79.76 19.06 71.5 Favored Glycine 0 CA--C 1.53 0.987 0 C-N-CA 121.345 -0.455 . . . . 0.0 112.749 178.103 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.51 ' O ' ' OE1' ' A' ' 68' ' ' GLU . 54.8 p30 -89.15 2.12 54.63 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -179.61 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 87.52 -3.65 86.28 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 110.146 -1.182 . . . . 0.0 110.146 179.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.51 ' OE1' ' O ' ' A' ' 66' ' ' ASP . 53.3 mp0 -120.54 159.95 24.17 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.959 -0.62 . . . . 0.0 110.635 179.459 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.427 ' HA ' ' OE1' ' A' ' 73' ' ' GLU . 61.9 t -105.58 130.9 56.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 106.477 -1.675 . . . . 0.0 106.477 176.346 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.497 ' C ' ' OD1' ' A' ' 70' ' ' ASP . 17.2 p30 -101.45 170.66 8.06 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 119.279 -0.968 . . . . 0.0 110.246 -178.016 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -53.63 -44.45 69.53 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.962 -178.647 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -61.58 -39.98 93.12 Favored 'General case' 0 C--O 1.246 0.89 0 C-N-CA 120.054 -0.658 . . . . 0.0 111.204 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.475 ' O ' HG22 ' A' ' 76' ' ' VAL . 67.5 mt-10 -64.26 -42.84 96.28 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-O 122.06 0.933 . . . . 0.0 110.097 179.46 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -63.93 -40.64 96.92 Favored 'General case' 0 C--O 1.24 0.587 0 CA-C-O 122.34 1.067 . . . . 0.0 110.356 178.113 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.609 HG13 ' HB1' ' B' ' 79' ' ' ALA . 0.5 OUTLIER -59.65 -48.09 88.72 Favored 'Isoleucine or valine' 0 C--O 1.249 1.043 0 CA-C-N 113.82 -1.536 . . . . 0.0 109.537 -179.081 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.475 HG22 ' O ' ' A' ' 73' ' ' GLU . 15.4 m -68.04 -33.96 64.08 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 C-N-CA 117.967 -1.493 . . . . 0.0 109.38 178.408 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 45.0 tp -55.47 -52.91 62.07 Favored 'General case' 0 C--O 1.238 0.483 0 C-N-CA 118.902 -1.119 . . . . 0.0 112.021 178.195 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 34.6 m -69.83 -35.46 65.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 118.661 -1.216 . . . . 0.0 111.683 -178.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.671 ' HB2' ' HB2' ' B' ' 79' ' ' ALA . . . -67.75 -47.49 69.1 Favored 'General case' 0 C--O 1.248 1.003 0 C-N-CA 118.89 -1.124 . . . . 0.0 111.68 -179.511 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.91 -39.57 94.49 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 179.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.3 mp -64.85 -34.0 77.34 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 119.062 -1.055 . . . . 0.0 109.521 176.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 41.3 m -63.46 -49.82 72.16 Favored 'General case' 0 C--O 1.244 0.792 0 C-N-CA 120.01 -0.676 . . . . 0.0 111.503 179.277 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 14.5 p -63.31 -39.3 84.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 118.89 -1.124 . . . . 0.0 110.338 178.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.14 -31.4 72.58 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-O 121.117 0.485 . . . . 0.0 109.903 178.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 44.7 t -66.18 -54.57 23.69 Favored 'General case' 0 CA--C 1.51 -0.574 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.438 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -56.41 -41.02 75.65 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 118.729 -1.188 . . . . 0.0 108.782 179.106 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.683 ' O ' ' HB2' ' A' ' 91' ' ' GLU . 87.1 m-20 -59.05 -41.35 87.66 Favored 'General case' 0 C--O 1.202 -1.403 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.563 178.315 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.558 ' O ' ' O ' ' A' ' 91' ' ' GLU . 67.7 t80 -64.13 -41.08 97.36 Favored 'General case' 0 C--N 1.303 -1.429 0 C-N-CA 118.318 -1.353 . . . . 0.0 110.872 178.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -64.44 -60.55 3.02 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 120.005 -0.678 . . . . 0.0 112.294 -178.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.604 ' CD2' ' OH ' ' B' ' 26' ' ' TYR . 19.1 t-105 -68.63 -44.1 74.92 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 119.774 -0.77 . . . . 0.0 111.386 179.051 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.683 ' HB2' ' O ' ' A' ' 87' ' ' ASN . 59.1 mm-40 . . . . . 0 C--N 1.321 -0.636 0 CA-C-N 114.697 -1.138 . . . . 0.0 111.506 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 . . . . . 0 C--O 1.237 0.428 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.643 HD23 ' O ' ' B' ' 4' ' ' LEU . 2.1 tt -63.48 -42.54 98.57 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 117.895 -1.522 . . . . 0.0 107.953 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . 0.595 ' OE2' HD22 ' A' ' 41' ' ' LEU . 72.1 mm-40 -66.18 -36.88 84.26 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.838 177.558 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 46.2 m -58.95 -41.9 88.55 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 119.465 -0.894 . . . . 0.0 108.891 179.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.41 -46.06 84.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.304 179.145 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 99.4 mtp -59.81 -40.92 90.04 Favored 'General case' 0 C--O 1.246 0.903 0 CA-C-O 121.336 0.588 . . . . 0.0 110.263 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.66 -37.48 87.72 Favored 'General case' 0 CA--C 1.511 -0.557 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.619 177.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 57.5 m -62.91 -42.44 99.79 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 119.445 -0.902 . . . . 0.0 110.19 178.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 43.7 mt -59.36 -43.13 92.85 Favored 'General case' 0 C--O 1.24 0.554 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 179.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.9 mt -61.76 -45.54 98.47 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 CA-C-N 114.856 -1.065 . . . . 0.0 111.817 178.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -61.36 -41.38 96.98 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -178.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 15.5 m -72.78 -39.01 59.09 Favored 'Isoleucine or valine' 0 C--O 1.256 1.401 0 C-N-CA 118.774 -1.17 . . . . 0.0 110.344 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.607 ' O ' ' HD2' ' B' ' 18' ' ' HIS . 88.9 t80 -60.74 -42.55 97.57 Favored 'General case' 0 C--N 1.347 0.484 0 CA-C-O 122.199 0.999 . . . . 0.0 109.895 177.136 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -67.47 -33.92 76.1 Favored 'General case' 0 N--CA 1.436 -1.161 0 CA-C-N 115.351 -0.841 . . . . 0.0 109.225 177.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.565 ' O ' ' HB2' ' B' ' 21' ' ' LYS . . . -59.95 -50.7 72.74 Favored 'General case' 0 N--CA 1.436 -1.145 0 C-N-CA 118.831 -1.147 . . . . 0.0 111.041 -178.631 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.607 ' HD2' ' O ' ' B' ' 15' ' ' PHE . 0.5 OUTLIER -80.82 -49.18 11.41 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 117.15 -1.82 . . . . 0.0 113.62 179.919 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.574 ' H ' ' CD2' ' B' ' 18' ' ' HIS . 22.8 t -60.66 -41.1 94.34 Favored 'General case' 0 C--N 1.351 0.672 0 C-N-CA 118.472 -1.291 . . . . 0.0 109.482 -179.662 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.96 -44.03 63.13 Favored Glycine 0 C--N 1.342 0.889 0 CA-C-N 115.53 -0.759 . . . . 0.0 112.08 178.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . 0.565 ' HB2' ' O ' ' B' ' 17' ' ' ALA . 5.8 ttpm? -58.99 -42.31 89.69 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.012 -0.675 . . . . 0.0 111.576 -179.542 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.443 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 97.1 mt-10 -129.52 151.82 49.73 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 179.355 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.02 -148.86 31.67 Favored Glycine 0 CA--C 1.523 0.537 0 CA-C-N 115.704 -0.68 . . . . 0.0 112.326 177.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -70.95 139.83 50.74 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.479 ' O ' ' OG ' ' B' ' 19' ' ' SER . 36.3 mtmt -60.97 -31.7 71.27 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.171 -178.448 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.604 ' OH ' ' CD2' ' A' ' 90' ' ' TRP . 98.2 m-85 -106.42 19.57 20.3 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 -177.536 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 12.9 tptt -138.48 138.26 37.92 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 119.089 -1.044 . . . . 0.0 108.799 178.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.491 HD11 ' ND1' ' B' ' 18' ' ' HIS . 18.3 tp -112.45 131.59 55.49 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.345 -0.542 . . . . 0.0 111.543 -178.021 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 48.4 t -103.24 160.08 14.98 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.655 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 21.1 ttpt -52.12 -44.23 64.36 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 120.168 -0.613 . . . . 0.0 111.123 -178.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.607 ' HG3' ' N ' ' B' ' 32' ' ' GLU . 56.4 pttt -58.89 -46.74 87.13 Favored 'General case' 0 N--CA 1.438 -1.052 0 C-N-CA 119.733 -0.787 . . . . 0.0 109.522 -178.739 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.607 ' N ' ' HG3' ' B' ' 31' ' ' LYS . 92.3 mt-10 -62.52 -50.27 72.05 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 119.776 -0.769 . . . . 0.0 112.0 -177.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.04 -37.14 76.28 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 116.824 -1.951 . . . . 0.0 109.121 178.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.713 ' NZ ' HE22 ' B' ' 38' ' ' GLN . 0.8 OUTLIER -53.63 -36.42 62.02 Favored 'General case' 0 N--CA 1.439 -1.016 0 C-N-CA 118.223 -1.391 . . . . 0.0 108.036 -179.406 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.898 ' O ' HG23 ' B' ' 39' ' ' THR . 97.1 mt-10 -74.32 -43.46 56.62 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 178.688 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.83 HD23 ' O ' ' B' ' 36' ' ' LEU . 5.4 tt -67.94 -47.96 67.21 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 118.842 -1.143 . . . . 0.0 112.422 -177.09 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.538 ' O ' ' O ' ' B' ' 41' ' ' LEU . 1.5 mm? -59.43 -42.22 91.38 Favored 'General case' 0 CA--C 1.517 -0.309 0 C-N-CA 118.258 -1.377 . . . . 0.0 110.03 -178.803 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.713 HE22 ' NZ ' ' B' ' 34' ' ' LYS . 95.1 mt-30 -64.72 -39.85 94.34 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.403 -0.519 . . . . 0.0 111.767 178.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.898 HG23 ' O ' ' B' ' 35' ' ' GLU . 61.0 p -71.17 -41.18 70.72 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 112.821 0.675 . . . . 0.0 112.821 -178.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -91.32 -49.59 6.27 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.604 HD22 ' OE2' ' A' ' 5' ' ' GLU . 28.6 mt -103.82 141.55 35.92 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 121.179 0.514 . . . . 0.0 111.984 -178.223 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.1 m -113.55 -65.37 1.19 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.119 178.339 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.78 -38.34 91.9 Favored Glycine 0 CA--C 1.532 1.097 0 CA-C-N 115.545 -0.752 . . . . 0.0 114.051 -178.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -60.51 -53.33 58.86 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 118.148 0.974 . . . . 0.0 112.316 -177.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -74.15 -38.76 63.65 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.133 178.042 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 58.6 t0 -59.66 -30.22 68.6 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.118 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.14 -31.36 61.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.137 -177.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -95.94 115.68 27.8 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 119.528 -0.869 . . . . 0.0 109.073 178.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -63.1 -39.24 94.11 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 -178.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -69.63 142.54 53.45 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 113.04 0.756 . . . . 0.0 113.04 -177.018 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . 0.558 ' O ' HG12 ' B' ' 54' ' ' VAL . 4.8 m -72.21 -27.65 27.24 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.228 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 177.406 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -61.04 -23.61 65.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 114.056 -1.429 . . . . 0.0 109.074 178.151 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.423 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -51.85 -37.67 52.91 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.721 -177.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.558 HG12 ' O ' ' B' ' 51' ' ' VAL . 10.7 p -59.92 -43.28 91.87 Favored 'Isoleucine or valine' 0 C--O 1.239 0.508 0 C-N-CA 119.308 -0.957 . . . . 0.0 109.742 178.331 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.554 ' N ' HG13 ' B' ' 54' ' ' VAL . 91.6 m-20 -61.35 -42.34 98.53 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 120.147 -0.621 . . . . 0.0 109.397 179.208 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 41.7 mttp -60.79 -39.01 87.25 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.211 179.31 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.423 HG23 ' O ' ' B' ' 53' ' ' ALA . 78.8 t -66.26 -46.08 88.2 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.461 0 CA-C-N 115.903 -0.59 . . . . 0.0 112.542 -179.374 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -72.52 -34.97 67.96 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 115.014 1.487 . . . . 0.0 115.014 -178.379 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 28.9 mmtm -59.96 -39.64 86.29 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 119.701 -0.8 . . . . 0.0 112.844 -178.469 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -70.16 -35.22 73.85 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 119.264 -0.974 . . . . 0.0 109.825 179.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' B' ' 63' ' ' GLU . 91.0 mt -67.46 -35.45 79.21 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-N 115.837 -0.62 . . . . 0.0 112.139 179.458 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.416 ' CG ' ' H ' ' B' ' 65' ' ' GLY . 45.2 t0 -71.36 73.96 0.72 Allowed 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 118.344 -1.342 . . . . 0.0 109.841 -179.028 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' B' ' 61' ' ' LEU . 87.5 tt0 -63.63 -38.18 90.16 Favored 'General case' 0 CA--C 1.497 -1.083 0 CA-C-O 123.123 1.439 . . . . 0.0 107.309 176.566 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.483 ' OD1' ' CG ' ' B' ' 66' ' ' ASP . 16.8 t-20 -57.84 -39.67 78.25 Favored 'General case' 0 N--CA 1.429 -1.489 0 CA-C-N 111.573 -2.558 . . . . 0.0 111.364 178.664 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.416 ' H ' ' CG ' ' B' ' 62' ' ' ASP . . . 79.61 19.27 71.42 Favored Glycine 0 CA--C 1.53 0.998 0 CA-C-N 116.307 -0.406 . . . . 0.0 112.709 178.122 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.504 ' O ' ' OE1' ' B' ' 68' ' ' GLU . 54.9 p30 -89.21 2.23 54.54 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 87.53 -3.69 86.26 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.056 -1.218 . . . . 0.0 110.056 179.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.504 ' OE1' ' O ' ' B' ' 66' ' ' ASP . 53.3 mp0 -120.52 159.89 24.28 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.037 -0.582 . . . . 0.0 110.691 179.445 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.425 ' HA ' ' OE1' ' B' ' 73' ' ' GLU . 61.6 t -105.49 130.92 56.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 106.576 -1.639 . . . . 0.0 106.576 176.339 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.509 ' C ' ' OD1' ' B' ' 70' ' ' ASP . 17.4 p30 -101.47 170.52 8.15 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 119.322 -0.951 . . . . 0.0 110.442 -178.132 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -53.53 -44.52 69.24 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.901 -178.613 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -61.54 -39.96 92.96 Favored 'General case' 0 C--O 1.243 0.738 0 C-N-CA 119.965 -0.694 . . . . 0.0 111.306 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.469 ' O ' HG22 ' B' ' 76' ' ' VAL . 67.6 mt-10 -64.33 -42.89 96.05 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 122.026 0.917 . . . . 0.0 109.991 179.469 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -63.92 -40.59 96.84 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-O 122.383 1.087 . . . . 0.0 110.407 178.122 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.625 HG13 ' HB1' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -59.65 -48.02 88.97 Favored 'Isoleucine or valine' 0 C--O 1.249 1.04 0 CA-C-N 113.764 -1.562 . . . . 0.0 109.625 -179.168 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.469 HG22 ' O ' ' B' ' 73' ' ' GLU . 15.6 m -68.04 -34.02 64.45 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 C-N-CA 118.058 -1.457 . . . . 0.0 109.339 178.416 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 45.4 tp -55.42 -52.94 61.92 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 118.897 -1.121 . . . . 0.0 112.058 178.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 34.6 m -69.77 -35.48 65.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 C-N-CA 118.59 -1.244 . . . . 0.0 111.734 -178.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.671 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . . . -67.72 -47.59 68.92 Favored 'General case' 0 C--O 1.247 0.965 0 C-N-CA 118.927 -1.109 . . . . 0.0 111.647 -179.498 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.75 -39.6 94.66 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.227 179.312 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 5.1 mp -64.8 -34.25 77.9 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 119.092 -1.043 . . . . 0.0 109.459 176.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 42.0 m -63.36 -49.78 72.51 Favored 'General case' 0 C--O 1.244 0.778 0 C-N-CA 119.982 -0.687 . . . . 0.0 111.435 179.502 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 14.5 p -63.33 -39.25 84.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 118.845 -1.142 . . . . 0.0 110.386 178.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.17 -31.4 72.57 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-O 121.068 0.461 . . . . 0.0 109.876 178.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 44.0 t -66.18 -54.63 22.9 Favored 'General case' 0 CA--C 1.508 -0.637 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.457 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -56.39 -40.96 75.47 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 118.742 -1.183 . . . . 0.0 108.77 179.117 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . 0.679 ' O ' ' HB2' ' B' ' 91' ' ' GLU . 87.3 m-20 -59.14 -41.27 87.89 Favored 'General case' 0 C--O 1.203 -1.394 0 C-N-CA 120.244 -0.582 . . . . 0.0 109.589 178.377 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.541 ' O ' ' O ' ' B' ' 91' ' ' GLU . 67.9 t80 -64.28 -40.86 96.83 Favored 'General case' 0 C--N 1.304 -1.396 0 C-N-CA 118.315 -1.354 . . . . 0.0 110.934 178.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -64.62 -60.59 2.95 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 120.019 -0.672 . . . . 0.0 112.185 -178.337 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 90' ' ' TRP . . . . . 0.612 ' CD2' ' OH ' ' A' ' 26' ' ' TYR . 19.3 t-105 -68.55 -44.14 75.16 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 119.847 -0.741 . . . . 0.0 111.362 179.096 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . 0.679 ' HB2' ' O ' ' B' ' 87' ' ' ASN . 59.0 mm-40 . . . . . 0 C--N 1.321 -0.663 0 CA-C-N 114.617 -1.174 . . . . 0.0 111.435 -179.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 . . . . . 0 C--O 1.233 0.23 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.667 HD23 ' O ' ' A' ' 4' ' ' LEU . 5.3 tt -64.13 -42.85 96.65 Favored 'General case' 0 C--O 1.241 0.607 0 C-N-CA 119.695 -0.802 . . . . 0.0 109.263 -179.265 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.456 ' C ' ' OE1' ' A' ' 5' ' ' GLU . 7.5 tm-20 -64.35 -40.04 95.08 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.362 179.472 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 46.1 m -60.25 -40.21 89.51 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 178.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.45 -44.07 95.55 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.133 179.49 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 97.7 mtp -58.96 -41.29 87.16 Favored 'General case' 0 C--O 1.247 0.958 0 CA-C-O 121.728 0.775 . . . . 0.0 109.43 178.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -64.91 -35.42 81.1 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.115 178.166 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 48.5 m -64.11 -43.76 94.34 Favored 'General case' 0 N--CA 1.446 -0.633 0 C-N-CA 119.872 -0.731 . . . . 0.0 110.154 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 40.1 mt -62.41 -43.34 99.04 Favored 'General case' 0 C--O 1.242 0.675 0 C-N-CA 119.417 -0.913 . . . . 0.0 109.297 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.503 HG23 ' ND2' ' B' ' 86' ' ' ASN . 98.9 mt -61.94 -46.73 95.86 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 C-N-CA 119.834 -0.746 . . . . 0.0 111.3 179.05 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -61.45 -41.86 97.86 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 -178.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.6 m -73.95 -41.8 53.05 Favored 'Isoleucine or valine' 0 C--O 1.257 1.448 0 C-N-CA 119.082 -1.047 . . . . 0.0 111.956 -179.138 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -60.47 -47.62 85.33 Favored 'General case' 0 CA--C 1.508 -0.648 0 C-N-CA 119.022 -1.071 . . . . 0.0 109.549 178.216 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -64.17 -35.14 79.8 Favored 'General case' 0 CA--C 1.501 -0.91 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.155 178.153 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.552 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . -57.29 -52.59 64.73 Favored 'General case' 0 N--CA 1.437 -1.119 0 C-N-CA 118.737 -1.185 . . . . 0.0 110.085 -178.571 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.535 ' HA ' ' HZ1' ' A' ' 21' ' ' LYS . 20.6 m-70 -78.89 -49.76 12.34 Favored 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 118.381 -1.327 . . . . 0.0 114.047 -179.509 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 40.4 t -57.72 -42.1 83.11 Favored 'General case' 0 CA--C 1.516 -0.345 0 C-N-CA 119.424 -0.911 . . . . 0.0 110.754 -178.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -77.88 -43.27 14.7 Favored Glycine 0 CA--C 1.527 0.808 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.017 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.552 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 7.3 ttpm? -58.75 -42.25 88.45 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 113.415 0.894 . . . . 0.0 113.415 -179.193 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.528 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 85.3 tt0 -126.97 141.58 51.76 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 112.891 0.7 . . . . 0.0 112.891 -178.247 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.88 -150.77 52.16 Favored Glycine 0 C--N 1.335 0.475 0 CA-C-N 115.273 -0.876 . . . . 0.0 112.228 177.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -68.56 146.35 53.17 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.028 -0.586 . . . . 0.0 109.529 179.184 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.3 mtmm -85.48 151.81 23.67 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 -179.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.596 ' OH ' ' CE3' ' B' ' 90' ' ' TRP . 93.3 m-85 61.34 10.59 3.17 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.517 ' NZ ' ' OD2' ' A' ' 66' ' ' ASP . 23.6 tptt -138.14 132.03 31.34 Favored 'General case' 0 C--O 1.236 0.353 0 N-CA-C 105.386 -2.079 . . . . 0.0 105.386 175.071 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.3 tp -110.8 122.96 49.13 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.265 -176.123 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.471 ' HA ' ' OE1' ' A' ' 68' ' ' GLU . 81.9 p -86.57 165.86 15.87 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 120.901 -0.32 . . . . 0.0 111.188 -179.54 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.0 ttpm? -56.8 -48.16 78.57 Favored 'General case' 0 C--O 1.243 0.74 0 CA-C-O 121.384 0.612 . . . . 0.0 112.274 -178.311 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.585 ' HG3' ' N ' ' A' ' 32' ' ' GLU . 24.3 pttm -60.84 -47.12 87.8 Favored 'General case' 0 N--CA 1.441 -0.919 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.634 -178.525 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.585 ' N ' ' HG3' ' A' ' 31' ' ' LYS . 97.1 mt-10 -62.23 -47.78 82.9 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.481 -0.781 . . . . 0.0 112.244 -178.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.428 HD22 HG21 ' A' ' 69' ' ' VAL . 0.8 OUTLIER -61.66 -34.94 76.59 Favored 'General case' 0 CA--C 1.502 -0.891 0 C-N-CA 117.999 -1.48 . . . . 0.0 109.311 179.518 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.691 ' NZ ' HE22 ' A' ' 38' ' ' GLN . 1.8 tptm -55.22 -37.03 66.61 Favored 'General case' 0 N--CA 1.44 -0.933 0 C-N-CA 118.179 -1.408 . . . . 0.0 108.189 178.087 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.84 ' O ' HG23 ' A' ' 39' ' ' THR . 96.9 mt-10 -74.12 -41.45 61.58 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 112.984 0.735 . . . . 0.0 112.984 179.54 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.732 HD23 ' O ' ' A' ' 36' ' ' LEU . 3.0 tt -65.01 -45.25 86.33 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 120.02 -0.672 . . . . 0.0 111.169 -177.391 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.569 ' O ' ' O ' ' A' ' 41' ' ' LEU . 0.9 OUTLIER -65.0 -44.09 90.4 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 119.328 -0.949 . . . . 0.0 111.311 179.884 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.691 HE22 ' NZ ' ' A' ' 34' ' ' LYS . 95.7 mt-30 -63.58 -39.12 93.57 Favored 'General case' 0 CA--C 1.519 -0.216 0 C-N-CA 120.349 -0.54 . . . . 0.0 111.514 179.66 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.84 HG23 ' O ' ' A' ' 35' ' ' GLU . 62.5 p -71.46 -32.85 68.79 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.499 -0.48 . . . . 0.0 111.116 179.709 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -101.75 -60.01 1.6 Allowed 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 113.383 0.882 . . . . 0.0 113.383 -179.033 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.569 ' O ' ' O ' ' A' ' 37' ' ' LEU . 54.3 mt -99.07 141.55 31.69 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 121.267 0.556 . . . . 0.0 111.535 -179.063 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.9 t -113.41 -59.26 2.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.507 179.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.11 -39.5 92.25 Favored Glycine 0 CA--C 1.532 1.121 0 CA-C-N 116.152 -0.477 . . . . 0.0 114.162 -177.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -63.08 -54.4 38.59 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 118.067 0.933 . . . . 0.0 112.706 -178.095 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -73.97 -37.87 64.35 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 120.526 -0.47 . . . . 0.0 112.105 178.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -59.32 -29.33 67.56 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.136 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.98 -31.75 61.05 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.512 -177.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 81.3 mm-40 -96.81 118.88 34.22 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 119.391 -0.924 . . . . 0.0 109.197 179.021 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 69.1 tttt -63.18 -40.18 96.79 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 114.179 1.177 . . . . 0.0 114.179 -178.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -71.37 142.51 50.36 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 113.125 0.787 . . . . 0.0 113.125 -177.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.522 ' O ' HG12 ' A' ' 54' ' ' VAL . 4.9 m -72.13 -28.56 29.81 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.111 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 177.562 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -60.54 -25.39 66.11 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 114.3 -1.318 . . . . 0.0 108.987 177.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.6 -37.61 50.79 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 114.693 -1.14 . . . . 0.0 110.848 -177.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.569 HG13 ' N ' ' A' ' 55' ' ' ASP . 8.2 p -60.42 -42.43 91.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 119.273 -0.971 . . . . 0.0 109.653 178.478 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.569 ' N ' HG13 ' A' ' 54' ' ' VAL . 56.1 t0 -61.79 -41.63 97.98 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 179.037 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 48.1 mttm -60.67 -39.75 89.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.523 179.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 69.9 t -65.77 -45.86 90.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 C-N-CA 120.545 -0.462 . . . . 0.0 111.192 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.1 ppp? -69.7 -33.81 73.04 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 114.289 1.218 . . . . 0.0 114.289 -178.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.7 mtmt -59.18 -40.58 86.14 Favored 'General case' 0 CA--C 1.521 -0.169 0 C-N-CA 119.015 -1.074 . . . . 0.0 111.373 -179.288 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -64.24 -39.95 95.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.36 0.6 . . . . 0.0 110.676 178.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.482 HD11 HD22 ' A' ' 77' ' ' LEU . 80.5 mt -68.33 -34.45 76.14 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.153 -0.93 . . . . 0.0 112.987 -179.168 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.536 ' OD2' ' N ' ' A' ' 67' ' ' GLY . 47.8 t0 -73.38 82.78 1.42 Allowed 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 118.42 -1.312 . . . . 0.0 111.413 -177.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -67.18 -46.41 74.04 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 122.653 1.216 . . . . 0.0 112.257 177.15 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 31.8 m120 -57.27 -34.88 69.11 Favored 'General case' 0 C--N 1.299 -1.605 0 CA-C-N 112.38 -2.191 . . . . 0.0 113.259 -177.086 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 89.27 4.17 74.56 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 108.121 -1.992 . . . . 0.0 108.121 -177.167 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.655 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 46.5 p30 -62.23 -30.59 71.2 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 114.132 -1.034 . . . . 0.0 111.411 179.546 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.655 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 100.3 -5.73 57.55 Favored Glycine 0 CA--C 1.52 0.38 0 N-CA-C 110.65 -0.98 . . . . 0.0 110.65 -179.597 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.474 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 29.1 mm-40 -122.62 165.97 15.61 Favored 'General case' 0 C--O 1.242 0.67 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 178.05 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.428 HG21 HD22 ' A' ' 33' ' ' LEU . 38.4 t -98.65 132.25 44.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 178.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -96.17 159.28 15.04 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.239 0.542 . . . . 0.0 111.64 -178.485 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -50.52 -45.06 56.45 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.799 -178.145 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.405 ' HG2' HG21 ' B' ' 83' ' ' VAL . 94.2 mt-30 -61.51 -39.97 92.91 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 119.777 -0.769 . . . . 0.0 110.63 178.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.442 ' CD ' ' O ' ' A' ' 61' ' ' LEU . 94.0 mt-10 -65.27 -42.15 93.52 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 121.976 0.893 . . . . 0.0 110.325 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -63.85 -40.37 96.42 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-O 122.256 1.027 . . . . 0.0 109.548 178.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.596 HG13 ' HB1' ' B' ' 79' ' ' ALA . 0.5 OUTLIER -60.84 -48.12 90.28 Favored 'Isoleucine or valine' 0 C--O 1.245 0.865 0 CA-C-N 113.78 -1.555 . . . . 0.0 110.397 -179.287 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.409 HG22 ' O ' ' A' ' 73' ' ' GLU . 12.8 m -68.06 -34.05 64.57 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 C-N-CA 118.063 -1.455 . . . . 0.0 109.249 178.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.482 HD22 HD11 ' A' ' 61' ' ' LEU . 51.2 tp -56.55 -52.58 64.26 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 119.049 -1.06 . . . . 0.0 111.925 178.312 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.437 ' O ' ' OG1' ' A' ' 82' ' ' THR . 33.9 m -69.69 -36.62 71.15 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 C-N-CA 118.607 -1.237 . . . . 0.0 111.921 -178.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.633 ' HB2' ' HB2' ' B' ' 79' ' ' ALA . . . -68.43 -48.05 65.61 Favored 'General case' 0 C--O 1.249 1.067 0 C-N-CA 119.084 -1.046 . . . . 0.0 111.855 -179.359 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.3 -40.58 97.75 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 179.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.0 mp -65.47 -33.51 76.1 Favored 'General case' 0 C--O 1.219 -0.535 0 C-N-CA 119.224 -0.991 . . . . 0.0 109.8 176.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 34.4 m -63.05 -51.47 66.58 Favored 'General case' 0 C--O 1.249 1.066 0 C-N-CA 119.737 -0.785 . . . . 0.0 111.299 179.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.431 HG22 HD21 ' A' ' 87' ' ' ASN . 14.0 p -63.25 -39.08 83.92 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 119.428 -0.909 . . . . 0.0 110.718 178.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.513 ' O ' ' CD2' ' A' ' 88' ' ' PHE . . . -65.17 -34.98 79.66 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 120.486 -0.485 . . . . 0.0 109.849 178.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 31.0 t -62.87 -55.96 21.56 Favored 'General case' 0 CA--C 1.507 -0.677 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.89 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.502 ' ND2' HG23 ' B' ' 12' ' ' ILE . 52.5 t-20 -57.32 -39.28 75.51 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 118.299 -1.361 . . . . 0.0 108.956 178.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.431 HD21 HG22 ' A' ' 83' ' ' VAL . 86.3 m-20 -59.27 -40.22 85.39 Favored 'General case' 0 C--N 1.338 0.086 0 C-N-CA 120.464 -0.495 . . . . 0.0 110.943 179.217 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.537 ' O ' ' O ' ' A' ' 91' ' ' GLU . 61.1 m-85 -67.57 -39.99 84.89 Favored 'General case' 0 CA--C 1.52 -0.175 0 C-N-CA 119.781 -0.768 . . . . 0.0 111.059 178.664 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -62.53 -52.45 63.4 Favored 'General case' 0 C--N 1.33 -0.283 0 C-N-CA 119.691 -0.804 . . . . 0.0 111.255 -179.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.602 ' CE3' ' OH ' ' B' ' 26' ' ' TYR . 23.1 t-105 -67.55 -39.94 84.98 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 121.16 0.505 . . . . 0.0 112.306 178.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.537 ' O ' ' O ' ' A' ' 88' ' ' PHE . 4.6 tm-20 . . . . . 0 C--N 1.321 -0.653 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.929 -176.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 . . . . . 0 C--O 1.234 0.241 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.66 HD23 ' O ' ' B' ' 4' ' ' LEU . 5.3 tt -64.14 -42.92 96.59 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-O 121.8 0.81 . . . . 0.0 109.229 -179.204 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . 0.448 ' OE1' ' C ' ' B' ' 5' ' ' GLU . 7.5 tm-20 -64.37 -39.98 94.92 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.381 179.477 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 45.4 m -60.23 -40.14 89.17 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 178.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.5 -43.97 95.66 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.142 179.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 97.7 mtp -59.05 -41.31 87.58 Favored 'General case' 0 C--O 1.248 0.982 0 CA-C-O 121.778 0.799 . . . . 0.0 109.501 178.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -64.83 -36.24 83.69 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.956 178.281 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 46.5 m -63.25 -44.08 96.2 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 119.962 -0.695 . . . . 0.0 110.314 179.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 45.2 mt -62.42 -43.22 99.34 Favored 'General case' 0 C--O 1.241 0.615 0 C-N-CA 119.434 -0.906 . . . . 0.0 109.338 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.502 HG23 ' ND2' ' A' ' 86' ' ' ASN . 98.9 mt -61.88 -46.68 95.97 Favored 'Isoleucine or valine' 0 C--O 1.232 0.143 0 C-N-CA 119.796 -0.762 . . . . 0.0 111.335 178.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -61.5 -41.93 98.03 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 -178.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 14.5 m -73.88 -41.87 53.55 Favored 'Isoleucine or valine' 0 C--O 1.257 1.468 0 C-N-CA 119.2 -1.0 . . . . 0.0 111.908 -179.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -60.49 -47.62 85.34 Favored 'General case' 0 CA--C 1.508 -0.656 0 C-N-CA 119.008 -1.077 . . . . 0.0 109.529 178.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -64.25 -35.06 79.6 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.07 178.233 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.549 ' O ' ' CB ' ' B' ' 21' ' ' LYS . . . -57.36 -52.6 64.72 Favored 'General case' 0 N--CA 1.436 -1.163 0 C-N-CA 118.764 -1.174 . . . . 0.0 110.009 -178.542 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.513 ' HA ' ' HZ1' ' B' ' 21' ' ' LYS . 20.6 m-70 -78.68 -49.81 12.51 Favored 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 118.412 -1.315 . . . . 0.0 114.093 -179.564 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 40.6 t -57.78 -42.24 83.68 Favored 'General case' 0 CA--C 1.516 -0.364 0 C-N-CA 119.537 -0.865 . . . . 0.0 110.713 -178.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -77.82 -43.36 14.69 Favored Glycine 0 CA--C 1.528 0.886 0 C-N-CA 120.796 -0.716 . . . . 0.0 111.997 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . 0.549 ' CB ' ' O ' ' B' ' 17' ' ' ALA . 7.3 ttpm? -58.73 -42.25 88.34 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 -179.152 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.534 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 85.3 tt0 -126.87 141.71 51.74 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 119.924 -0.71 . . . . 0.0 112.892 -178.342 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.75 -150.65 52.06 Favored Glycine 0 C--N 1.334 0.418 0 CA-C-N 115.304 -0.862 . . . . 0.0 112.238 177.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -68.56 146.31 53.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.036 -0.582 . . . . 0.0 109.521 179.203 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 24.2 mtmm -85.45 151.82 23.68 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 -179.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.602 ' OH ' ' CE3' ' A' ' 90' ' ' TRP . 93.3 m-85 61.33 10.51 3.12 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.507 ' CE ' ' OD2' ' B' ' 66' ' ' ASP . 25.5 tptt -137.95 132.23 32.04 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 105.436 -2.061 . . . . 0.0 105.436 175.016 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 19.2 tp -110.93 122.88 48.98 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.449 -0.5 . . . . 0.0 110.309 -176.272 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.478 ' HA ' ' OE1' ' B' ' 68' ' ' GLU . 81.9 p -86.59 165.97 15.76 Favored 'General case' 0 C--N 1.332 -0.196 0 C-N-CA 120.884 -0.326 . . . . 0.0 111.152 -179.475 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 5.0 ttpm? -56.83 -48.24 78.47 Favored 'General case' 0 C--O 1.243 0.737 0 CA-C-O 121.492 0.663 . . . . 0.0 112.191 -178.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.591 ' HG3' ' N ' ' B' ' 32' ' ' GLU . 24.2 pttm -60.95 -47.04 88.25 Favored 'General case' 0 N--CA 1.441 -0.9 0 C-N-CA 119.931 -0.708 . . . . 0.0 109.552 -178.427 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.591 ' N ' ' HG3' ' B' ' 31' ' ' LYS . 97.1 mt-10 -62.24 -47.73 83.11 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.536 -0.756 . . . . 0.0 112.23 -178.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.436 HD22 HG21 ' B' ' 69' ' ' VAL . 0.8 OUTLIER -61.69 -34.87 76.52 Favored 'General case' 0 CA--C 1.502 -0.884 0 C-N-CA 118.08 -1.448 . . . . 0.0 109.417 179.49 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.717 ' NZ ' HE22 ' B' ' 38' ' ' GLN . 1.8 tptm -55.24 -37.11 66.79 Favored 'General case' 0 N--CA 1.44 -0.945 0 C-N-CA 118.139 -1.424 . . . . 0.0 108.146 178.01 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.842 ' O ' HG23 ' B' ' 39' ' ' THR . 97.0 mt-10 -74.06 -41.46 61.71 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 112.943 0.72 . . . . 0.0 112.943 179.592 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.729 HD23 ' O ' ' B' ' 36' ' ' LEU . 3.1 tt -64.93 -45.35 86.21 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 120.082 -0.647 . . . . 0.0 111.146 -177.353 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.567 ' O ' ' O ' ' B' ' 41' ' ' LEU . 0.9 OUTLIER -64.89 -44.27 90.16 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 119.312 -0.955 . . . . 0.0 111.231 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.717 HE22 ' NZ ' ' B' ' 34' ' ' LYS . 95.7 mt-30 -63.47 -39.17 93.76 Favored 'General case' 0 CA--C 1.52 -0.198 0 C-N-CA 120.328 -0.549 . . . . 0.0 111.467 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.842 HG23 ' O ' ' B' ' 35' ' ' GLU . 60.1 p -71.47 -32.8 68.69 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.439 -0.504 . . . . 0.0 111.074 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -101.8 -60.02 1.6 Allowed 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 -179.002 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.567 ' O ' ' O ' ' B' ' 37' ' ' LEU . 54.4 mt -99.07 141.55 31.69 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 121.281 0.562 . . . . 0.0 111.55 -179.072 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 5.0 t -113.53 -59.21 2.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.446 179.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.02 -39.5 92.04 Favored Glycine 0 CA--C 1.532 1.124 0 CA-C-N 116.172 -0.467 . . . . 0.0 114.155 -178.058 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -63.11 -54.38 38.75 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 118.045 0.923 . . . . 0.0 112.744 -178.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -73.92 -37.92 64.48 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 120.54 -0.464 . . . . 0.0 112.126 178.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -59.31 -29.4 67.59 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.94 -31.69 60.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.508 -177.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -96.94 118.94 34.45 Favored 'General case' 0 N--CA 1.462 0.151 0 C-N-CA 119.367 -0.933 . . . . 0.0 109.109 179.059 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 69.2 tttt -63.16 -40.16 96.74 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 114.174 1.176 . . . . 0.0 114.174 -178.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -71.52 142.61 50.12 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 -177.241 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . 0.531 ' O ' HG12 ' B' ' 54' ' ' VAL . 4.9 m -72.15 -28.58 29.78 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.169 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 177.526 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -60.61 -25.28 66.14 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 114.403 -1.271 . . . . 0.0 109.064 177.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.71 -37.5 51.13 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 114.69 -1.141 . . . . 0.0 110.881 -178.018 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.566 HG13 ' N ' ' B' ' 55' ' ' ASP . 8.1 p -60.47 -42.38 91.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 119.255 -0.978 . . . . 0.0 109.655 178.425 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.566 ' N ' HG13 ' B' ' 54' ' ' VAL . 56.0 t0 -61.69 -41.86 98.15 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 178.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 48.0 mttm -60.51 -39.76 88.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.575 179.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 69.8 t -65.84 -45.74 90.6 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 C-N-CA 120.622 -0.431 . . . . 0.0 111.232 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 1.1 ppp? -69.75 -33.83 72.98 Favored 'General case' 0 CA--C 1.535 0.404 0 N-CA-C 114.306 1.225 . . . . 0.0 114.306 -178.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 13.7 mtmt -59.2 -40.63 86.35 Favored 'General case' 0 CA--C 1.521 -0.142 0 C-N-CA 119.053 -1.059 . . . . 0.0 111.306 -179.244 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -64.3 -39.89 94.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.244 0.545 . . . . 0.0 110.607 178.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.479 HD11 HD22 ' B' ' 77' ' ' LEU . 80.4 mt -68.27 -34.57 76.42 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.261 -0.881 . . . . 0.0 112.964 -179.201 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.541 ' OD2' ' N ' ' B' ' 67' ' ' GLY . 47.9 t0 -73.36 82.79 1.41 Allowed 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 118.375 -1.33 . . . . 0.0 111.375 -177.735 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -67.13 -46.42 74.16 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 122.621 1.201 . . . . 0.0 112.281 177.08 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 31.8 m120 -57.32 -34.9 69.22 Favored 'General case' 0 C--N 1.299 -1.612 0 CA-C-N 112.472 -2.149 . . . . 0.0 113.229 -177.092 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 89.22 4.19 74.66 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 108.164 -1.974 . . . . 0.0 108.164 -177.127 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.659 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 46.6 p30 -62.18 -30.72 71.26 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 114.084 -1.058 . . . . 0.0 111.37 179.572 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.659 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 100.44 -5.78 57.34 Favored Glycine 0 CA--C 1.52 0.369 0 N-CA-C 110.659 -0.976 . . . . 0.0 110.659 -179.539 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.478 ' OE1' ' HA ' ' B' ' 29' ' ' SER . 29.2 mm-40 -122.68 166.04 15.55 Favored 'General case' 0 C--O 1.243 0.728 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 178.047 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.436 HG21 HD22 ' B' ' 33' ' ' LEU . 38.6 t -98.65 132.34 44.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 178.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -95.76 159.2 15.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.259 0.552 . . . . 0.0 111.56 -178.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -50.65 -45.01 57.66 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.741 -178.499 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.404 ' HG2' HG21 ' A' ' 83' ' ' VAL . 94.2 mt-30 -61.64 -39.92 93.06 Favored 'General case' 0 C--O 1.241 0.653 0 C-N-CA 119.842 -0.743 . . . . 0.0 110.552 178.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.432 ' CD ' ' O ' ' B' ' 61' ' ' LEU . 94.1 mt-10 -65.36 -41.99 93.25 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-O 121.884 0.849 . . . . 0.0 110.359 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -63.97 -40.35 96.21 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-O 122.222 1.011 . . . . 0.0 109.474 178.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.591 HG13 ' HB1' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -60.85 -48.19 90.01 Favored 'Isoleucine or valine' 0 C--O 1.245 0.856 0 CA-C-N 113.822 -1.535 . . . . 0.0 110.365 -179.303 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.405 HG22 ' O ' ' B' ' 73' ' ' GLU . 13.0 m -68.15 -33.96 63.81 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 C-N-CA 117.944 -1.503 . . . . 0.0 109.172 178.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.479 HD22 HD11 ' B' ' 61' ' ' LEU . 51.3 tp -56.57 -52.58 64.27 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 119.06 -1.056 . . . . 0.0 111.896 178.307 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.401 ' O ' ' OG1' ' B' ' 82' ' ' THR . 33.9 m -69.64 -36.68 71.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 C-N-CA 118.575 -1.25 . . . . 0.0 111.957 -178.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.633 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . . . -68.36 -48.04 65.83 Favored 'General case' 0 C--O 1.249 1.056 0 C-N-CA 119.149 -1.02 . . . . 0.0 111.907 -179.361 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.4 -40.49 97.35 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 179.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 5.9 mp -65.46 -33.49 76.05 Favored 'General case' 0 C--O 1.218 -0.571 0 C-N-CA 119.17 -1.012 . . . . 0.0 109.806 176.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 35.4 m -63.14 -51.38 66.71 Favored 'General case' 0 C--O 1.249 1.062 0 C-N-CA 119.634 -0.826 . . . . 0.0 111.236 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.431 HG22 HD21 ' B' ' 87' ' ' ASN . 14.0 p -63.23 -39.04 83.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 119.308 -0.957 . . . . 0.0 110.749 178.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.511 ' O ' ' CD2' ' B' ' 88' ' ' PHE . . . -65.18 -34.88 79.42 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 120.445 -0.502 . . . . 0.0 109.857 178.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 31.6 t -62.98 -55.95 21.32 Favored 'General case' 0 CA--C 1.508 -0.669 0 CA-C-N 115.463 -0.789 . . . . 0.0 109.818 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.503 ' ND2' HG23 ' A' ' 12' ' ' ILE . 52.5 t-20 -57.34 -39.34 75.7 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 118.417 -1.313 . . . . 0.0 108.859 179.012 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . 0.431 HD21 HG22 ' B' ' 83' ' ' VAL . 86.5 m-20 -59.32 -40.25 85.68 Favored 'General case' 0 C--N 1.337 0.06 0 C-N-CA 120.484 -0.486 . . . . 0.0 110.901 179.246 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.543 ' O ' ' O ' ' B' ' 91' ' ' GLU . 61.2 m-85 -67.51 -40.09 85.13 Favored 'General case' 0 CA--C 1.522 -0.132 0 C-N-CA 119.873 -0.731 . . . . 0.0 111.04 178.657 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -62.48 -52.39 63.69 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 119.637 -0.825 . . . . 0.0 111.297 -179.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 90' ' ' TRP . . . . . 0.596 ' CE3' ' OH ' ' A' ' 26' ' ' TYR . 23.1 t-105 -67.62 -39.92 84.69 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 121.194 0.521 . . . . 0.0 112.3 179.013 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . 0.543 ' O ' ' O ' ' B' ' 88' ' ' PHE . 4.6 tm-20 . . . . . 0 C--N 1.321 -0.65 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.961 -176.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 . . . . . 0 C--O 1.238 0.481 0 N-CA-C 111.941 0.348 . . . . 0.0 111.941 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.483 HD23 ' O ' ' A' ' 4' ' ' LEU . 5.7 tt -61.04 -41.18 96.1 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 -178.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.52 -37.57 87.16 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.369 178.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 43.8 m -59.16 -41.05 87.45 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 179.055 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.64 -46.13 83.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.43 179.246 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 99.4 mtp -59.39 -41.56 89.68 Favored 'General case' 0 C--O 1.248 1.018 0 CA-C-O 121.724 0.773 . . . . 0.0 109.834 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -65.41 -35.58 81.36 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.239 177.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 49.1 m -63.81 -42.99 97.57 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 119.589 -0.844 . . . . 0.0 109.892 179.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 37.9 mt -61.76 -42.58 99.17 Favored 'General case' 0 C--O 1.24 0.553 0 C-N-CA 119.043 -1.063 . . . . 0.0 108.798 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.4 mt -61.19 -45.66 98.16 Favored 'Isoleucine or valine' 0 C--O 1.231 0.113 0 C-N-CA 119.693 -0.803 . . . . 0.0 111.221 178.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -62.15 -41.76 98.59 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 113.14 0.792 . . . . 0.0 113.14 -178.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.8 m -73.78 -41.21 54.3 Favored 'Isoleucine or valine' 0 C--O 1.256 1.419 0 C-N-CA 119.27 -0.972 . . . . 0.0 111.569 -179.195 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.434 ' CE2' ' CG ' ' A' ' 71' ' ' PHE . 84.5 t80 -59.96 -47.95 83.71 Favored 'General case' 0 CA--C 1.509 -0.597 0 C-N-CA 119.585 -0.846 . . . . 0.0 109.793 177.615 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -65.78 -34.0 77.17 Favored 'General case' 0 CA--C 1.504 -0.824 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.595 178.164 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.525 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . -58.55 -52.58 65.06 Favored 'General case' 0 N--CA 1.438 -1.056 0 C-N-CA 118.757 -1.177 . . . . 0.0 110.092 -178.498 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.631 ' HA ' ' HZ1' ' A' ' 21' ' ' LYS . 22.0 m-70 -78.84 -48.31 14.95 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 118.618 -1.233 . . . . 0.0 113.595 -179.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.8 t -58.29 -44.16 88.38 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 119.549 -0.86 . . . . 0.0 110.74 -179.238 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.1 -43.88 31.47 Favored Glycine 0 CA--C 1.526 0.745 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.81 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.631 ' HZ1' ' HA ' ' A' ' 18' ' ' HIS . 7.3 ttpm? -59.34 -41.34 88.94 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 -178.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.519 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 49.2 tp10 -122.67 140.87 52.37 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 -178.066 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.36 -141.9 47.88 Favored Glycine 0 CA--C 1.52 0.405 0 CA-C-N 114.88 -1.054 . . . . 0.0 112.595 177.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -70.63 146.44 50.03 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.03 -0.585 . . . . 0.0 109.977 179.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.4 mtmm -86.48 150.34 24.35 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 -179.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.489 ' OH ' ' CE3' ' B' ' 90' ' ' TRP . 87.7 m-85 60.42 14.76 4.98 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.553 ' HZ3' ' HG2' ' A' ' 68' ' ' GLU . 18.2 tptm -136.47 136.22 39.27 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 106.751 -1.574 . . . . 0.0 106.751 176.684 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.457 ' C ' ' OE2' ' A' ' 68' ' ' GLU . 14.1 tp -115.03 130.74 57.01 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 120.49 -0.484 . . . . 0.0 111.549 -175.41 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.45 ' CA ' ' OE2' ' A' ' 68' ' ' GLU . 39.7 t -104.92 158.62 16.41 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.597 179.575 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.2 ttpt -53.26 -46.44 69.23 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-O 121.253 0.549 . . . . 0.0 111.481 -177.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.607 ' CG ' ' N ' ' A' ' 32' ' ' GLU . 47.5 pttt -59.83 -48.29 82.29 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.674 -178.475 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.607 ' N ' ' CG ' ' A' ' 31' ' ' LYS . 95.3 mt-10 -63.16 -48.28 79.09 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 115.375 -0.829 . . . . 0.0 112.299 -178.402 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.2 pp -62.36 -34.17 76.17 Favored 'General case' 0 CA--C 1.496 -1.115 0 C-N-CA 118.318 -1.353 . . . . 0.0 110.025 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.7 tptp -54.78 -36.51 64.95 Favored 'General case' 0 N--CA 1.434 -1.235 0 C-N-CA 117.5 -1.68 . . . . 0.0 107.629 178.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.635 ' O ' HG23 ' A' ' 39' ' ' THR . 96.9 mt-10 -74.67 -41.91 59.43 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 120.154 -0.619 . . . . 0.0 112.462 178.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.744 HD23 ' O ' ' A' ' 36' ' ' LEU . 2.2 tt -64.62 -45.34 87.28 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 120.298 -0.561 . . . . 0.0 111.299 -177.543 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.568 ' O ' ' N ' ' A' ' 41' ' ' LEU . 1.1 mm? -64.31 -43.05 95.93 Favored 'General case' 0 CA--C 1.521 -0.135 0 C-N-CA 119.038 -1.065 . . . . 0.0 111.17 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -63.91 -39.65 94.66 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 120.247 -0.581 . . . . 0.0 112.124 179.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.635 HG23 ' O ' ' A' ' 35' ' ' GLU . 81.3 p -71.2 -37.57 72.09 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 119.733 -0.787 . . . . 0.0 111.427 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -92.5 -53.62 4.13 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.568 ' N ' ' O ' ' A' ' 37' ' ' LEU . 27.9 mt -103.68 141.62 35.75 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.26 0.552 . . . . 0.0 111.096 -179.432 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.547 ' OG ' ' N ' ' A' ' 43' ' ' GLY . 24.9 p -114.53 -67.22 1.01 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.872 179.231 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.547 ' N ' ' OG ' ' A' ' 42' ' ' SER . . . -57.87 -37.78 86.01 Favored Glycine 0 CA--C 1.531 1.044 0 CA-C-N 115.812 -0.631 . . . . 0.0 113.714 -178.647 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -61.02 -53.93 51.19 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 118.015 0.907 . . . . 0.0 112.233 -178.09 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -74.18 -37.49 63.93 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 120.597 -0.441 . . . . 0.0 111.502 178.364 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -59.36 -29.43 67.68 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.042 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.76 -31.72 59.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.706 -177.612 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 82.0 mm-40 -96.65 119.33 34.93 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 119.351 -0.94 . . . . 0.0 109.124 179.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -62.92 -40.73 98.51 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 114.169 1.174 . . . . 0.0 114.169 -178.541 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -71.73 142.38 49.79 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 -177.257 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.505 ' O ' HG12 ' A' ' 54' ' ' VAL . 5.0 m -72.05 -29.36 32.57 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.184 0 N-CA-C 107.791 -1.188 . . . . 0.0 107.791 177.402 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -58.99 -25.07 63.29 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 114.309 -1.314 . . . . 0.0 108.93 177.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.448 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -52.37 -37.73 57.04 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 114.572 -1.194 . . . . 0.0 110.97 -178.02 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.554 HG13 ' N ' ' A' ' 55' ' ' ASP . 9.1 p -60.16 -42.47 90.28 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 C-N-CA 119.141 -1.023 . . . . 0.0 109.517 178.598 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.554 ' N ' HG13 ' A' ' 54' ' ' VAL . 55.8 t0 -61.91 -42.54 99.21 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.389 178.729 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 55.4 mttm -60.29 -38.98 85.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.31 179.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 53' ' ' ALA . 72.8 t -65.11 -43.99 95.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.18 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.459 ' CE ' ' O ' ' A' ' 67' ' ' GLY . 1.4 ppp? -70.48 -33.1 70.87 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 115.123 1.527 . . . . 0.0 115.123 -178.266 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.404 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 29.1 mmtm -59.62 -40.12 86.52 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 119.507 -0.877 . . . . 0.0 112.967 -178.456 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -70.53 -35.18 73.01 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 119.455 -0.898 . . . . 0.0 110.1 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.404 ' O ' ' CD ' ' A' ' 73' ' ' GLU . 85.0 mt -67.5 -34.72 77.71 Favored 'General case' 0 CA--C 1.511 -0.537 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.966 179.534 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.613 ' OD2' ' N ' ' A' ' 67' ' ' GLY . 50.2 t0 -75.34 93.37 2.89 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 118.739 -1.184 . . . . 0.0 111.436 -177.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -64.19 -45.98 85.97 Favored 'General case' 0 CA--C 1.508 -0.654 0 CA-C-O 122.586 1.184 . . . . 0.0 111.286 176.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 31.2 m120 -59.12 -33.02 70.36 Favored 'General case' 0 C--N 1.298 -1.635 0 CA-C-N 112.566 -2.106 . . . . 0.0 112.568 -178.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.8 18.47 67.82 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 108.09 -2.004 . . . . 0.0 108.09 -176.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.599 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 50.1 p30 -86.5 5.86 33.31 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 114.172 -1.014 . . . . 0.0 112.375 -178.581 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.613 ' N ' ' OD2' ' A' ' 62' ' ' ASP . . . 63.14 -1.44 1.94 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.161 -1.175 . . . . 0.0 110.161 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.553 ' HG2' ' HZ3' ' A' ' 27' ' ' LYS . 37.0 tp10 -114.89 141.03 48.48 Favored 'General case' 0 C--O 1.239 0.525 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 -179.535 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 46.5 t -102.77 132.61 48.55 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.451 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 -179.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.494 ' C ' ' OD1' ' A' ' 70' ' ' ASP . 28.9 p30 -101.96 172.11 7.12 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 121.194 0.521 . . . . 0.0 110.842 -178.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.434 ' CG ' ' CE2' ' A' ' 15' ' ' PHE . 0.9 OUTLIER -54.07 -45.34 71.69 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.965 -178.403 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -61.74 -41.04 97.14 Favored 'General case' 0 C--O 1.245 0.827 0 C-N-CA 119.841 -0.743 . . . . 0.0 111.84 -179.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.466 ' O ' HG22 ' A' ' 76' ' ' VAL . 94.1 mt-10 -64.72 -41.74 95.76 Favored 'General case' 0 C--O 1.241 0.657 0 CA-C-O 122.08 0.943 . . . . 0.0 109.985 179.387 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 70.3 t80 -63.71 -40.98 98.11 Favored 'General case' 0 C--O 1.241 0.62 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.19 178.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.611 HG13 ' HB1' ' B' ' 79' ' ' ALA . 0.5 OUTLIER -60.0 -47.69 90.78 Favored 'Isoleucine or valine' 0 C--O 1.248 0.99 0 CA-C-N 113.926 -1.488 . . . . 0.0 109.817 -179.092 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.466 HG22 ' O ' ' A' ' 73' ' ' GLU . 14.3 m -67.46 -34.43 68.52 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 C-N-CA 117.727 -1.589 . . . . 0.0 109.313 178.494 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 43.6 tp -55.95 -51.56 67.25 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 118.671 -1.212 . . . . 0.0 111.925 178.095 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 35.1 m -69.13 -36.2 72.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 118.544 -1.262 . . . . 0.0 111.764 -178.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.695 ' HB2' ' HB2' ' B' ' 79' ' ' ALA . . . -67.92 -47.68 68.08 Favored 'General case' 0 C--O 1.251 1.143 0 C-N-CA 119.052 -1.059 . . . . 0.0 111.814 -179.622 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.21 -39.89 95.92 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.261 179.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.0 mp -65.25 -34.88 79.41 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 119.184 -1.006 . . . . 0.0 109.714 176.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 39.2 m -62.79 -50.59 70.4 Favored 'General case' 0 C--O 1.249 1.045 0 C-N-CA 119.704 -0.798 . . . . 0.0 111.386 179.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 14.1 p -63.21 -38.84 83.18 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 119.081 -1.048 . . . . 0.0 110.588 178.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.42 ' O ' ' CD2' ' A' ' 88' ' ' PHE . . . -64.83 -34.25 77.93 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 120.429 -0.508 . . . . 0.0 109.906 178.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 40.6 t -63.48 -54.5 35.41 Favored 'General case' 0 CA--C 1.508 -0.647 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.342 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -55.77 -40.4 72.56 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 118.522 -1.271 . . . . 0.0 108.702 178.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.692 ' O ' ' HB2' ' A' ' 91' ' ' GLU . 86.6 m-20 -59.77 -42.07 92.47 Favored 'General case' 0 C--O 1.204 -1.33 0 C-N-CA 120.172 -0.611 . . . . 0.0 110.563 178.734 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.522 ' O ' ' O ' ' A' ' 91' ' ' GLU . 75.9 m-85 -66.06 -36.2 82.58 Favored 'General case' 0 C--N 1.31 -1.115 0 C-N-CA 117.061 -1.856 . . . . 0.0 110.558 178.644 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -64.94 -61.8 1.95 Allowed 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 119.51 -0.876 . . . . 0.0 112.154 -178.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.503 ' CD1' ' C ' ' A' ' 90' ' ' TRP . 19.8 t-105 -68.76 -43.07 76.57 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 121.625 0.726 . . . . 0.0 111.595 179.043 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.692 ' HB2' ' O ' ' A' ' 87' ' ' ASN . 67.9 mm-40 . . . . . 0 C--N 1.321 -0.658 0 CA-C-N 114.602 -1.181 . . . . 0.0 111.426 -179.023 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 . . . . . 0 C--O 1.238 0.494 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.484 HD23 ' O ' ' B' ' 4' ' ' LEU . 5.7 tt -61.13 -41.26 96.4 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -178.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.43 -37.67 87.6 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.393 178.273 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 43.8 m -59.14 -40.99 87.22 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.69 -46.11 83.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.526 179.192 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 99.4 mtp -59.43 -41.52 89.77 Favored 'General case' 0 C--O 1.248 0.976 0 CA-C-O 121.613 0.72 . . . . 0.0 109.932 179.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -65.23 -36.51 84.39 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.161 177.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 45.9 m -62.89 -43.3 99.17 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 119.709 -0.796 . . . . 0.0 110.042 179.164 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 43.7 mt -61.79 -42.47 99.04 Favored 'General case' 0 C--O 1.24 0.592 0 C-N-CA 119.117 -1.033 . . . . 0.0 108.78 179.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.5 mt -61.19 -45.64 98.2 Favored 'Isoleucine or valine' 0 C--O 1.231 0.114 0 C-N-CA 119.782 -0.767 . . . . 0.0 111.191 178.576 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -62.27 -41.8 98.79 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -178.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 14.5 m -73.71 -41.17 54.76 Favored 'Isoleucine or valine' 0 C--O 1.256 1.419 0 C-N-CA 119.244 -0.982 . . . . 0.0 111.562 -179.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.435 ' CE2' ' CG ' ' B' ' 71' ' ' PHE . 84.3 t80 -59.98 -47.94 83.73 Favored 'General case' 0 CA--C 1.51 -0.562 0 C-N-CA 119.598 -0.841 . . . . 0.0 109.775 177.674 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -65.78 -34.04 77.24 Favored 'General case' 0 CA--C 1.504 -0.81 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.566 178.237 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.531 ' O ' ' CB ' ' B' ' 21' ' ' LYS . . . -58.53 -52.47 65.49 Favored 'General case' 0 N--CA 1.436 -1.135 0 C-N-CA 118.728 -1.189 . . . . 0.0 110.195 -178.556 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.594 ' HA ' ' HZ1' ' B' ' 21' ' ' LYS . 21.7 m-70 -78.93 -48.25 14.91 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 118.543 -1.263 . . . . 0.0 113.513 -179.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 42.5 t -58.39 -44.16 88.83 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 119.685 -0.806 . . . . 0.0 110.676 -179.186 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.12 -43.93 31.21 Favored Glycine 0 CA--C 1.526 0.755 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.779 179.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . 0.594 ' HZ1' ' HA ' ' B' ' 18' ' ' HIS . 7.3 ttpm? -59.32 -41.29 88.73 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 113.92 1.081 . . . . 0.0 113.92 -178.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.515 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 49.3 tp10 -122.84 140.97 52.37 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 113.313 0.856 . . . . 0.0 113.313 -178.094 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.29 -141.9 47.82 Favored Glycine 0 C--N 1.334 0.454 0 CA-C-N 114.777 -1.101 . . . . 0.0 112.6 177.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -70.58 146.33 50.18 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.083 -0.558 . . . . 0.0 109.944 179.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 25.4 mtmm -86.41 150.26 24.43 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 -179.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.486 ' OH ' ' CE3' ' A' ' 90' ' ' TRP . 88.0 m-85 60.41 14.88 5.05 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.429 ' HZ3' ' HG2' ' B' ' 68' ' ' GLU . 17.9 tptm -136.47 136.35 39.37 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 106.744 -1.576 . . . . 0.0 106.744 176.58 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.464 ' C ' ' OE2' ' B' ' 68' ' ' GLU . 14.1 tp -115.03 130.65 56.99 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 120.586 -0.445 . . . . 0.0 111.624 -175.456 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.459 ' CA ' ' OE2' ' B' ' 68' ' ' GLU . 40.3 t -104.79 158.48 16.49 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 122.52 0.328 . . . . 0.0 110.624 179.568 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 20.1 ttpt -53.12 -46.54 68.79 Favored 'General case' 0 C--O 1.24 0.561 0 CA-C-O 121.23 0.538 . . . . 0.0 111.506 -177.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.6 ' CG ' ' N ' ' B' ' 32' ' ' GLU . 47.4 pttt -59.82 -48.37 81.95 Favored 'General case' 0 N--CA 1.44 -0.932 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.67 -178.501 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.6 ' N ' ' CG ' ' B' ' 31' ' ' LYS . 95.2 mt-10 -63.12 -48.22 79.46 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.394 -0.821 . . . . 0.0 112.24 -178.406 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.2 pp -62.39 -34.23 76.32 Favored 'General case' 0 CA--C 1.496 -1.104 0 C-N-CA 118.368 -1.333 . . . . 0.0 110.026 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 14.7 tptp -54.64 -36.6 64.72 Favored 'General case' 0 N--CA 1.433 -1.293 0 C-N-CA 117.551 -1.66 . . . . 0.0 107.691 178.386 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.645 ' O ' HG23 ' B' ' 39' ' ' THR . 96.9 mt-10 -74.7 -41.78 59.58 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 120.149 -0.62 . . . . 0.0 112.479 178.79 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.748 HD23 ' O ' ' B' ' 36' ' ' LEU . 2.2 tt -64.68 -45.45 86.64 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 120.306 -0.557 . . . . 0.0 111.281 -177.554 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.573 ' O ' ' N ' ' B' ' 41' ' ' LEU . 1.1 mm? -64.25 -43.12 95.87 Favored 'General case' 0 CA--C 1.521 -0.156 0 C-N-CA 119.131 -1.027 . . . . 0.0 111.111 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -63.87 -39.74 94.89 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 120.3 -0.56 . . . . 0.0 111.993 179.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.645 HG23 ' O ' ' B' ' 35' ' ' GLU . 81.4 p -71.18 -37.58 72.16 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 119.76 -0.776 . . . . 0.0 111.378 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -92.52 -53.63 4.12 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.573 ' N ' ' O ' ' B' ' 37' ' ' LEU . 28.0 mt -103.71 141.67 35.67 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.197 0.522 . . . . 0.0 111.118 -179.428 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.551 ' OG ' ' N ' ' B' ' 43' ' ' GLY . 25.1 p -114.62 -67.28 1.01 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.815 179.299 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . 0.551 ' N ' ' OG ' ' B' ' 42' ' ' SER . . . -57.9 -37.73 85.98 Favored Glycine 0 CA--C 1.531 1.052 0 CA-C-N 115.853 -0.612 . . . . 0.0 113.672 -178.603 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -61.09 -53.87 51.67 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 118.042 0.921 . . . . 0.0 112.237 -178.091 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -74.09 -37.6 64.12 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 120.613 -0.435 . . . . 0.0 111.427 178.367 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -59.32 -29.47 67.65 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.015 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.87 -31.6 59.91 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.642 -177.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -96.6 119.33 34.89 Favored 'General case' 0 C--N 1.333 -0.152 0 C-N-CA 119.388 -0.925 . . . . 0.0 109.132 179.046 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -63.05 -40.6 98.2 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 114.13 1.159 . . . . 0.0 114.13 -178.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -71.85 142.41 49.58 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 -177.289 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . 0.507 ' O ' HG12 ' B' ' 54' ' ' VAL . 5.0 m -72.05 -29.36 32.53 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.18 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 177.509 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -59.08 -25.12 63.5 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 114.304 -1.316 . . . . 0.0 108.886 177.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.453 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -52.29 -37.67 56.24 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 114.606 -1.179 . . . . 0.0 111.078 -178.105 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.551 HG13 ' N ' ' B' ' 55' ' ' ASP . 9.1 p -60.23 -42.48 90.56 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 C-N-CA 119.141 -1.023 . . . . 0.0 109.47 178.547 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.551 ' N ' HG13 ' B' ' 54' ' ' VAL . 55.8 t0 -61.89 -42.48 99.12 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.406 178.741 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 55.3 mttm -60.34 -39.09 85.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.286 179.23 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.453 HG23 ' O ' ' B' ' 53' ' ' ALA . 72.0 t -64.92 -44.04 96.19 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.324 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.249 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.467 ' CE ' ' O ' ' B' ' 67' ' ' GLY . 1.4 ppp? -70.5 -33.08 70.82 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 115.113 1.523 . . . . 0.0 115.113 -178.199 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . 0.417 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 29.1 mmtm -59.61 -40.1 86.42 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 119.533 -0.867 . . . . 0.0 112.931 -178.394 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -70.59 -35.07 72.83 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 119.365 -0.934 . . . . 0.0 110.121 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.405 ' O ' ' CD ' ' B' ' 73' ' ' GLU . 85.1 mt -67.63 -34.72 77.53 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.851 179.579 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.609 ' OD2' ' N ' ' B' ' 67' ' ' GLY . 50.1 t0 -75.41 93.49 2.95 Favored 'General case' 0 N--CA 1.446 -0.647 0 C-N-CA 118.775 -1.17 . . . . 0.0 111.423 -178.007 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -64.24 -45.98 85.8 Favored 'General case' 0 CA--C 1.508 -0.652 0 CA-C-O 122.589 1.185 . . . . 0.0 111.238 176.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 31.1 m120 -59.18 -33.04 70.47 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-N 112.556 -2.111 . . . . 0.0 112.49 -178.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.81 18.51 67.7 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 108.1 -2.0 . . . . 0.0 108.1 -176.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.594 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 50.3 p30 -86.49 5.74 33.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 114.192 -1.004 . . . . 0.0 112.317 -178.543 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.609 ' N ' ' OD2' ' B' ' 62' ' ' ASP . . . 63.07 -1.38 1.91 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.167 -1.173 . . . . 0.0 110.167 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.522 ' H ' ' C ' ' B' ' 66' ' ' ASP . 36.6 tp10 -114.89 141.07 48.43 Favored 'General case' 0 C--O 1.24 0.568 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 -179.544 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 46.6 t -102.8 132.55 48.72 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.49 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 -179.137 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.493 ' C ' ' OD1' ' B' ' 70' ' ' ASP . 29.6 p30 -101.64 172.09 7.16 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.24 0.543 . . . . 0.0 110.87 -178.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.435 ' CG ' ' CE2' ' B' ' 15' ' ' PHE . 0.9 OUTLIER -54.17 -45.38 72.08 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.887 -178.507 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -61.68 -41.0 96.97 Favored 'General case' 0 C--O 1.243 0.741 0 C-N-CA 119.842 -0.743 . . . . 0.0 111.849 -179.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.461 ' O ' HG22 ' B' ' 76' ' ' VAL . 94.2 mt-10 -64.76 -41.8 95.6 Favored 'General case' 0 C--O 1.242 0.66 0 CA-C-O 122.052 0.93 . . . . 0.0 109.922 179.432 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -63.6 -40.99 98.35 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.221 178.108 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.609 HG13 ' HB1' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -60.08 -47.59 91.29 Favored 'Isoleucine or valine' 0 C--O 1.248 1.023 0 CA-C-N 113.901 -1.499 . . . . 0.0 109.811 -179.037 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.461 HG22 ' O ' ' B' ' 73' ' ' GLU . 14.6 m -67.58 -34.47 68.44 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 C-N-CA 117.752 -1.579 . . . . 0.0 109.186 178.565 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 43.3 tp -55.88 -51.58 67.08 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 118.68 -1.208 . . . . 0.0 111.905 178.148 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 35.2 m -69.15 -36.21 72.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 118.51 -1.276 . . . . 0.0 111.705 -178.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.695 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . . . -67.87 -47.72 68.11 Favored 'General case' 0 C--O 1.25 1.098 0 C-N-CA 119.032 -1.067 . . . . 0.0 111.828 -179.632 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.21 -39.88 95.9 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.214 179.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 5.9 mp -65.15 -35.05 79.89 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 119.23 -0.988 . . . . 0.0 109.767 176.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 40.2 m -62.85 -50.34 71.33 Favored 'General case' 0 C--O 1.248 0.999 0 C-N-CA 119.566 -0.854 . . . . 0.0 111.38 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 14.1 p -63.3 -38.82 83.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 C-N-CA 119.097 -1.041 . . . . 0.0 110.643 178.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.428 ' O ' ' CD2' ' B' ' 88' ' ' PHE . . . -64.88 -34.28 78.01 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 120.431 -0.508 . . . . 0.0 109.816 178.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 40.6 t -63.42 -54.5 35.7 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.354 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -55.79 -40.44 72.67 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 118.501 -1.28 . . . . 0.0 108.678 178.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . 0.669 ' O ' ' HB2' ' B' ' 91' ' ' GLU . 86.5 m-20 -59.64 -42.22 92.28 Favored 'General case' 0 C--O 1.203 -1.382 0 C-N-CA 120.201 -0.599 . . . . 0.0 110.575 178.743 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.529 ' O ' ' O ' ' B' ' 91' ' ' GLU . 75.5 m-85 -66.04 -36.14 82.45 Favored 'General case' 0 C--N 1.31 -1.109 0 C-N-CA 117.021 -1.872 . . . . 0.0 110.583 178.714 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -64.91 -61.87 1.91 Allowed 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 119.608 -0.837 . . . . 0.0 112.094 -178.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 90' ' ' TRP . . . . . 0.509 ' C ' ' CD1' ' B' ' 90' ' ' TRP . 19.7 t-105 -68.82 -43.0 76.45 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 121.606 0.717 . . . . 0.0 111.62 179.058 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . 0.669 ' HB2' ' O ' ' B' ' 87' ' ' ASN . 67.6 mm-40 . . . . . 0 C--N 1.321 -0.658 0 CA-C-N 114.604 -1.18 . . . . 0.0 111.401 -179.048 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 . . . . . 0 C--O 1.236 0.392 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.504 HD23 ' O ' ' A' ' 4' ' ' LEU . 5.6 tt -60.71 -41.19 94.75 Favored 'General case' 0 C--O 1.239 0.54 0 C-N-CA 118.983 -1.087 . . . . 0.0 108.125 -178.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -65.29 -37.58 87.62 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.208 178.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.7 m -59.14 -40.83 86.73 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 179.21 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.03 -46.17 82.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.206 -0.907 . . . . 0.0 110.55 179.202 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 99.3 mtp -59.49 -41.52 90.03 Favored 'General case' 0 C--O 1.249 1.062 0 CA-C-O 121.809 0.814 . . . . 0.0 109.728 179.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.35 -35.3 80.55 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.116 177.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 47.7 m -64.24 -43.06 96.07 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 119.773 -0.771 . . . . 0.0 110.022 179.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 37.8 mt -61.67 -42.8 99.41 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 119.162 -1.015 . . . . 0.0 108.557 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.1 mt -61.28 -45.59 98.31 Favored 'Isoleucine or valine' 0 C--O 1.232 0.133 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.249 178.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -62.42 -41.6 98.81 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 -178.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.7 m -74.1 -40.88 51.93 Favored 'Isoleucine or valine' 0 C--O 1.257 1.459 0 C-N-CA 119.303 -0.959 . . . . 0.0 111.3 -179.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.429 ' CE2' ' CG ' ' A' ' 71' ' ' PHE . 82.3 t80 -59.93 -47.32 86.26 Favored 'General case' 0 CA--C 1.508 -0.67 0 C-N-CA 119.809 -0.756 . . . . 0.0 109.437 177.593 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -66.02 -33.76 76.53 Favored 'General case' 0 CA--C 1.504 -0.793 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.547 178.065 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.526 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . -58.86 -52.47 65.59 Favored 'General case' 0 N--CA 1.437 -1.103 0 C-N-CA 118.766 -1.174 . . . . 0.0 110.172 -178.462 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.466 ' ND1' ' HG ' ' A' ' 36' ' ' LEU . 43.8 m80 -78.74 -47.85 16.03 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 118.8 -1.16 . . . . 0.0 113.432 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.1 t -58.58 -43.5 89.48 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 119.906 -0.718 . . . . 0.0 110.915 -179.135 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -75.91 -43.98 20.73 Favored Glycine 0 CA--C 1.527 0.841 0 C-N-CA 120.975 -0.631 . . . . 0.0 111.641 179.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.526 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 6.9 ttpm? -59.04 -39.82 83.18 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 -179.198 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.492 ' OE2' ' OE1' ' A' ' 35' ' ' GLU . 97.1 mt-10 -121.73 147.37 46.0 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 -178.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 52.95 -142.07 27.88 Favored Glycine 0 C--N 1.334 0.436 0 CA-C-N 114.754 -1.112 . . . . 0.0 112.586 177.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -70.67 146.97 49.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 114.934 -0.633 . . . . 0.0 109.803 179.434 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -85.68 149.77 25.08 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 -179.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.431 ' CE2' ' CZ3' ' B' ' 90' ' ' TRP . 88.7 m-85 60.36 15.79 5.74 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 112.184 0.438 . . . . 0.0 112.184 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.3 tptt -135.79 137.63 41.8 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 106.443 -1.688 . . . . 0.0 106.443 176.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.457 ' C ' ' OE2' ' A' ' 68' ' ' GLU . 13.7 tp -114.46 129.65 56.67 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 120.239 -0.584 . . . . 0.0 111.474 -175.551 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.446 ' CA ' ' OE2' ' A' ' 68' ' ' GLU . 41.0 t -105.53 159.13 16.18 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 122.484 0.313 . . . . 0.0 110.79 179.589 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.4 ttpt -52.94 -46.98 68.37 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-O 121.123 0.487 . . . . 0.0 111.786 -178.156 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.603 ' CG ' ' N ' ' A' ' 32' ' ' GLU . 54.0 pttt -59.88 -48.05 83.28 Favored 'General case' 0 N--CA 1.44 -0.926 0 C-N-CA 119.982 -0.687 . . . . 0.0 109.736 -178.508 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.603 ' N ' ' CG ' ' A' ' 31' ' ' LYS . 94.9 mt-10 -63.44 -48.3 78.31 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.231 -0.895 . . . . 0.0 112.318 -178.321 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 pp -62.75 -33.93 76.17 Favored 'General case' 0 CA--C 1.498 -1.028 0 C-N-CA 118.466 -1.294 . . . . 0.0 110.094 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.738 ' NZ ' HE22 ' A' ' 38' ' ' GLN . 0.9 OUTLIER -54.53 -36.75 64.59 Favored 'General case' 0 N--CA 1.434 -1.231 0 C-N-CA 117.785 -1.566 . . . . 0.0 107.497 178.13 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.853 ' O ' HG23 ' A' ' 39' ' ' THR . 97.2 mt-10 -75.48 -41.21 56.01 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 178.659 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.742 HD23 ' O ' ' A' ' 36' ' ' LEU . 2.7 tt -65.42 -46.01 81.66 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 120.073 -0.651 . . . . 0.0 111.472 -177.117 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.577 ' O ' ' N ' ' A' ' 41' ' ' LEU . 1.1 mm? -65.05 -43.37 92.52 Favored 'General case' 0 CA--C 1.52 -0.196 0 C-N-CA 119.08 -1.048 . . . . 0.0 111.206 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.738 HE22 ' NZ ' ' A' ' 34' ' ' LYS . 95.7 mt-30 -64.25 -39.49 94.06 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.492 -0.483 . . . . 0.0 111.934 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.853 HG23 ' O ' ' A' ' 35' ' ' GLU . 64.6 p -71.1 -38.21 72.37 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.112 -0.635 . . . . 0.0 111.259 -179.725 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -92.76 -52.36 4.66 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.577 ' N ' ' O ' ' A' ' 37' ' ' LEU . 29.1 mt -104.09 141.46 36.18 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 121.155 0.503 . . . . 0.0 111.242 -179.352 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.2 m -113.53 -67.63 0.98 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.493 178.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.87 -37.79 91.36 Favored Glycine 0 CA--C 1.532 1.097 0 CA-C-N 115.562 -0.745 . . . . 0.0 113.89 -178.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -60.18 -52.75 63.98 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 118.0 0.9 . . . . 0.0 112.171 -178.077 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -75.78 -41.12 53.91 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 120.343 -0.543 . . . . 0.0 111.344 178.251 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 57.0 t0 -60.87 -32.98 72.39 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.554 -0.748 . . . . 0.0 112.346 -179.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.1 -37.78 75.18 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -177.202 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -63.29 -33.87 76.44 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 119.742 -0.783 . . . . 0.0 109.318 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt 72.19 -40.21 0.47 Allowed 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.004 -0.998 . . . . 0.0 112.467 179.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -71.14 142.68 50.72 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.459 -0.497 . . . . 0.0 111.837 -179.155 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.5 ' O ' HG12 ' A' ' 54' ' ' VAL . 5.2 m -71.48 -30.08 37.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 178.292 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -61.39 -26.48 67.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.582 -1.19 . . . . 0.0 109.779 178.28 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.516 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -52.27 -38.0 57.01 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.066 -0.97 . . . . 0.0 111.707 -177.141 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.594 HG13 ' N ' ' A' ' 55' ' ' ASP . 7.5 p -59.88 -43.94 93.19 Favored 'Isoleucine or valine' 0 C--O 1.238 0.467 0 C-N-CA 119.152 -1.019 . . . . 0.0 109.923 179.156 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.594 ' N ' HG13 ' A' ' 54' ' ' VAL . 88.8 m-20 -62.54 -43.4 98.91 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.025 179.195 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -60.99 -39.43 89.63 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.476 179.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 53' ' ' ALA . 76.1 t -65.81 -45.15 92.33 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.381 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.787 -179.604 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.499 ' CE ' ' O ' ' A' ' 67' ' ' GLY . 0.3 OUTLIER -70.92 -34.73 71.81 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 -178.721 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.422 ' N ' ' HG3' ' A' ' 58' ' ' MET . 13.9 mtmt -60.14 -40.89 91.41 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 113.239 0.829 . . . . 0.0 113.239 -178.312 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -71.76 -36.71 70.49 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 119.686 -0.806 . . . . 0.0 110.683 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.402 ' O ' ' CD ' ' A' ' 73' ' ' GLU . 93.2 mt -67.7 -34.43 76.86 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-N 115.87 -0.604 . . . . 0.0 112.288 179.58 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.613 ' OD2' ' N ' ' A' ' 67' ' ' GLY . 50.7 t0 -75.53 93.02 2.95 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 118.69 -1.204 . . . . 0.0 111.265 -178.064 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 79.5 tt0 -63.71 -45.82 88.26 Favored 'General case' 0 CA--C 1.507 -0.676 0 CA-C-O 122.612 1.196 . . . . 0.0 111.23 177.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 30.9 m120 -59.2 -33.29 70.79 Favored 'General case' 0 C--N 1.299 -1.623 0 CA-C-N 112.476 -2.147 . . . . 0.0 112.452 -178.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.37 19.34 66.78 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 108.056 -2.018 . . . . 0.0 108.056 -176.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.589 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 48.5 p30 -86.66 5.6 35.19 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 114.203 -0.999 . . . . 0.0 112.405 -178.449 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.613 ' N ' ' OD2' ' A' ' 62' ' ' ASP . . . 64.15 -2.36 2.23 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.317 -1.113 . . . . 0.0 110.317 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.511 ' H ' ' C ' ' A' ' 66' ' ' ASP . 37.7 tp10 -114.69 140.5 48.8 Favored 'General case' 0 C--O 1.239 0.519 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 -179.676 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 48.1 t -102.26 132.67 47.8 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.475 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 -179.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.494 ' C ' ' OD1' ' A' ' 70' ' ' ASP . 28.7 p30 -101.55 172.12 7.16 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.896 -178.491 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.429 ' CG ' ' CE2' ' A' ' 15' ' ' PHE . 0.9 OUTLIER -54.36 -45.25 72.71 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.36 -0.837 . . . . 0.0 110.944 -178.504 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -61.58 -41.14 96.98 Favored 'General case' 0 C--O 1.245 0.864 0 O-C-N 121.505 -0.747 . . . . 0.0 111.846 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.472 ' O ' HG22 ' A' ' 76' ' ' VAL . 94.6 mt-10 -64.7 -41.99 95.61 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 122.174 0.987 . . . . 0.0 109.909 179.452 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -63.55 -40.82 98.0 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-O 122.391 1.091 . . . . 0.0 110.211 178.188 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.608 HG13 ' HB1' ' B' ' 79' ' ' ALA . 0.5 OUTLIER -60.2 -47.5 91.88 Favored 'Isoleucine or valine' 0 C--O 1.247 0.96 0 CA-C-N 113.848 -1.524 . . . . 0.0 109.882 -179.083 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.472 HG22 ' O ' ' A' ' 73' ' ' GLU . 15.6 m -67.46 -34.42 68.48 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.546 0 C-N-CA 117.669 -1.612 . . . . 0.0 109.101 178.516 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 48.0 tp -55.76 -51.76 66.29 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 118.762 -1.175 . . . . 0.0 111.998 178.135 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 34.7 m -69.47 -35.53 67.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 118.607 -1.237 . . . . 0.0 111.815 -178.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.715 ' HB2' ' HB2' ' B' ' 79' ' ' ALA . . . -68.38 -48.12 65.57 Favored 'General case' 0 C--O 1.25 1.079 0 C-N-CA 118.933 -1.107 . . . . 0.0 111.759 -179.642 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.05 -39.86 95.99 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.0 179.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.9 mp -65.52 -34.53 78.48 Favored 'General case' 0 C--O 1.219 -0.514 0 C-N-CA 119.22 -0.992 . . . . 0.0 109.994 176.588 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 36.6 m -62.93 -50.43 70.86 Favored 'General case' 0 C--O 1.248 1.008 0 C-N-CA 119.576 -0.849 . . . . 0.0 111.248 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.4 p -63.89 -38.37 82.18 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 119.163 -1.015 . . . . 0.0 110.543 178.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.53 -30.33 71.06 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.972 178.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 12.6 t -69.12 -54.3 15.68 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.418 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -55.75 -40.93 73.24 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 118.439 -1.305 . . . . 0.0 108.425 178.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -59.97 -37.5 79.79 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.886 177.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.526 ' O ' ' O ' ' A' ' 91' ' ' GLU . 67.2 t80 -63.33 -46.85 84.75 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.059 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -65.65 -52.48 51.42 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.314 -0.554 . . . . 0.0 111.988 -179.325 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.496 ' CD1' ' C ' ' A' ' 90' ' ' TRP . 21.2 t-105 -63.35 -39.24 93.99 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 121.297 0.57 . . . . 0.0 112.296 179.773 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.526 ' O ' ' O ' ' A' ' 88' ' ' PHE . 2.8 tm-20 . . . . . 0 C--N 1.319 -0.727 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.062 -177.236 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 . . . . . 0 C--O 1.236 0.383 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.503 HD23 ' O ' ' B' ' 4' ' ' LEU . 5.6 tt -60.47 -41.31 93.9 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 118.99 -1.084 . . . . 0.0 108.185 -178.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -65.24 -37.67 87.97 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.186 178.209 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 44.3 m -59.08 -40.64 85.88 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 179.204 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.24 -46.1 81.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.557 179.2 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 99.2 mtp -59.6 -41.54 90.54 Favored 'General case' 0 C--O 1.25 1.09 0 CA-C-O 121.692 0.758 . . . . 0.0 109.761 179.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.18 -36.15 83.31 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.32 -0.855 . . . . 0.0 109.987 177.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 45.9 m -63.42 -43.21 98.13 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 119.733 -0.787 . . . . 0.0 110.212 179.205 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 44.3 mt -61.67 -42.71 99.29 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 119.181 -1.007 . . . . 0.0 108.635 179.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.1 mt -61.29 -45.6 98.29 Favored 'Isoleucine or valine' 0 C--O 1.232 0.147 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.26 178.531 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -62.31 -41.65 98.71 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 -178.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 13.7 m -74.07 -40.91 52.13 Favored 'Isoleucine or valine' 0 C--O 1.256 1.401 0 C-N-CA 119.338 -0.945 . . . . 0.0 111.337 -179.305 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.425 ' CE2' ' CG ' ' B' ' 71' ' ' PHE . 82.6 t80 -59.88 -47.33 86.18 Favored 'General case' 0 CA--C 1.507 -0.678 0 C-N-CA 119.822 -0.751 . . . . 0.0 109.479 177.535 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -65.98 -33.83 76.71 Favored 'General case' 0 CA--C 1.504 -0.813 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.594 178.028 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.534 ' O ' ' CB ' ' B' ' 21' ' ' LYS . . . -58.86 -52.46 65.62 Favored 'General case' 0 N--CA 1.437 -1.104 0 C-N-CA 118.801 -1.159 . . . . 0.0 110.159 -178.489 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.505 ' HA ' ' HZ1' ' B' ' 21' ' ' LYS . 43.7 m80 -78.64 -48.0 15.93 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 118.794 -1.162 . . . . 0.0 113.462 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 47.1 t -58.5 -43.62 89.13 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 119.944 -0.702 . . . . 0.0 110.888 -179.16 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -75.89 -43.96 20.9 Favored Glycine 0 CA--C 1.526 0.764 0 C-N-CA 120.953 -0.641 . . . . 0.0 111.648 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . 0.534 ' CB ' ' O ' ' B' ' 17' ' ' ALA . 6.9 ttpm? -59.0 -39.83 83.01 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 -179.252 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.478 ' OE2' ' OE1' ' B' ' 35' ' ' GLU . 97.2 mt-10 -121.8 147.48 45.9 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 113.758 1.021 . . . . 0.0 113.758 -178.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 52.87 -142.09 27.46 Favored Glycine 0 C--N 1.335 0.486 0 CA-C-N 114.714 -1.13 . . . . 0.0 112.538 177.443 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -70.56 146.84 49.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 114.959 -0.621 . . . . 0.0 109.891 179.375 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 9.3 mtmp? -85.58 149.68 25.18 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 -179.33 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.427 ' CE2' ' CZ3' ' A' ' 90' ' ' TRP . 88.7 m-85 60.55 15.65 5.83 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 112.049 0.389 . . . . 0.0 112.049 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 33.0 tptt -135.74 137.78 42.03 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 106.512 -1.662 . . . . 0.0 106.512 176.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.473 ' C ' ' OE2' ' B' ' 68' ' ' GLU . 13.7 tp -114.57 129.64 56.69 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 120.224 -0.59 . . . . 0.0 111.455 -175.466 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.46 ' CA ' ' OE2' ' B' ' 68' ' ' GLU . 41.7 t -105.5 159.06 16.23 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.765 179.614 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 23.4 ttpt -52.92 -46.87 68.26 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-O 121.23 0.538 . . . . 0.0 111.831 -178.178 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.595 ' HG3' ' N ' ' B' ' 32' ' ' GLU . 54.3 pttt -60.03 -48.13 82.99 Favored 'General case' 0 N--CA 1.44 -0.944 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.56 -178.413 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.595 ' N ' ' HG3' ' B' ' 31' ' ' LYS . 94.9 mt-10 -63.3 -48.35 78.48 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 115.278 -0.874 . . . . 0.0 112.323 -178.348 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 pp -62.83 -33.85 76.09 Favored 'General case' 0 CA--C 1.498 -1.048 0 C-N-CA 118.54 -1.264 . . . . 0.0 110.122 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.732 ' NZ ' HE22 ' B' ' 38' ' ' GLN . 0.9 OUTLIER -54.57 -36.64 64.59 Favored 'General case' 0 N--CA 1.435 -1.182 0 C-N-CA 117.714 -1.595 . . . . 0.0 107.533 178.028 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.869 ' O ' HG23 ' B' ' 39' ' ' THR . 97.2 mt-10 -75.55 -41.19 55.53 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 178.654 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.737 HD23 ' O ' ' B' ' 36' ' ' LEU . 2.8 tt -65.45 -45.91 81.91 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 120.041 -0.664 . . . . 0.0 111.535 -177.16 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.576 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 1.1 mm? -65.06 -43.43 92.29 Favored 'General case' 0 CA--C 1.521 -0.168 0 C-N-CA 119.123 -1.031 . . . . 0.0 111.188 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.732 HE22 ' NZ ' ' B' ' 34' ' ' LYS . 95.7 mt-30 -64.19 -39.62 94.38 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.521 -0.472 . . . . 0.0 111.92 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.869 HG23 ' O ' ' B' ' 35' ' ' GLU . 65.4 p -70.96 -38.27 72.81 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.17 -0.612 . . . . 0.0 111.304 -179.723 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -92.78 -52.3 4.68 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 112.327 0.491 . . . . 0.0 112.327 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.576 ' N ' ' O ' ' B' ' 37' ' ' LEU . 28.8 mt -104.11 141.44 36.23 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 121.176 0.512 . . . . 0.0 111.269 -179.371 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.2 m -113.55 -67.55 0.99 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.53 178.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.96 -37.69 91.68 Favored Glycine 0 CA--C 1.531 1.09 0 CA-C-N 115.567 -0.742 . . . . 0.0 113.825 -178.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -60.23 -52.78 63.85 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 118.092 0.946 . . . . 0.0 112.078 -178.025 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -75.76 -41.28 53.57 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 120.346 -0.541 . . . . 0.0 111.265 178.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -60.65 -33.13 72.34 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.562 -0.744 . . . . 0.0 112.367 -179.217 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.04 -37.82 75.08 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -177.174 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -63.27 -33.86 76.42 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 119.7 -0.8 . . . . 0.0 109.333 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt 72.17 -40.21 0.47 Allowed 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.048 -0.978 . . . . 0.0 112.473 179.342 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -71.14 142.66 50.73 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.43 -0.508 . . . . 0.0 111.795 -179.178 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . 0.502 ' O ' HG12 ' B' ' 54' ' ' VAL . 5.2 m -71.42 -30.03 37.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 178.198 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -61.44 -26.44 67.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.564 -1.198 . . . . 0.0 109.833 178.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.516 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -52.33 -37.92 57.23 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.987 -1.006 . . . . 0.0 111.689 -177.106 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.593 HG13 ' N ' ' B' ' 55' ' ' ASP . 7.7 p -59.99 -43.92 93.54 Favored 'Isoleucine or valine' 0 C--O 1.238 0.47 0 C-N-CA 119.094 -1.043 . . . . 0.0 109.904 179.186 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.593 ' N ' HG13 ' B' ' 54' ' ' VAL . 88.5 m-20 -62.45 -43.42 98.85 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.107 179.116 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -60.92 -39.54 89.79 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.409 179.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.516 HG23 ' O ' ' B' ' 53' ' ' ALA . 76.2 t -65.74 -45.19 92.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.804 -179.601 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.503 ' CE ' ' O ' ' B' ' 67' ' ' GLY . 0.3 OUTLIER -70.84 -34.8 72.05 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 -178.763 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . 0.409 ' N ' ' HG3' ' B' ' 58' ' ' MET . 13.9 mtmt -60.11 -40.9 91.28 Favored 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 113.261 0.837 . . . . 0.0 113.261 -178.306 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -71.73 -36.71 70.57 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 119.59 -0.844 . . . . 0.0 110.696 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 93.2 mt -67.72 -34.45 76.89 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.212 179.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.604 ' OD2' ' N ' ' B' ' 67' ' ' GLY . 50.7 t0 -75.46 93.11 2.92 Favored 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 118.714 -1.194 . . . . 0.0 111.244 -178.088 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 79.5 tt0 -63.91 -45.73 87.98 Favored 'General case' 0 CA--C 1.508 -0.642 0 CA-C-O 122.604 1.193 . . . . 0.0 111.165 177.063 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -59.12 -33.36 70.78 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-N 112.549 -2.114 . . . . 0.0 112.536 -178.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.42 19.29 66.77 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 108.025 -2.03 . . . . 0.0 108.025 -177.024 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.589 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 48.7 p30 -86.63 5.57 35.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 114.258 -0.971 . . . . 0.0 112.471 -178.472 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.604 ' N ' ' OD2' ' B' ' 62' ' ' ASP . . . 64.23 -2.41 2.26 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.271 -1.132 . . . . 0.0 110.271 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.513 ' H ' ' C ' ' B' ' 66' ' ' ASP . 37.1 tp10 -114.73 140.59 48.75 Favored 'General case' 0 C--O 1.24 0.604 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 -179.637 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 48.3 t -102.34 132.72 47.8 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.405 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 -179.315 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.495 ' C ' ' OD1' ' B' ' 70' ' ' ASP . 29.4 p30 -101.43 172.19 7.13 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 120.327 -0.549 . . . . 0.0 110.98 -178.55 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.425 ' CG ' ' CE2' ' B' ' 15' ' ' PHE . 0.9 OUTLIER -54.37 -45.36 72.79 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.795 -178.502 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -61.53 -41.31 97.13 Favored 'General case' 0 C--O 1.244 0.804 0 C-N-CA 119.952 -0.699 . . . . 0.0 111.78 -179.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.469 ' O ' HG22 ' B' ' 76' ' ' VAL . 94.6 mt-10 -64.62 -41.99 95.81 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-O 122.202 1.001 . . . . 0.0 109.97 179.485 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -63.46 -40.89 98.32 Favored 'General case' 0 C--O 1.241 0.644 0 CA-C-N 114.804 -1.089 . . . . 0.0 110.197 178.128 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.611 HG13 ' HB1' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -60.24 -47.49 91.98 Favored 'Isoleucine or valine' 0 C--O 1.248 1.005 0 CA-C-N 113.931 -1.486 . . . . 0.0 109.831 -178.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.469 HG22 ' O ' ' B' ' 73' ' ' GLU . 15.5 m -67.34 -34.51 69.37 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.531 0 C-N-CA 117.735 -1.586 . . . . 0.0 109.12 178.481 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 47.9 tp -55.66 -51.82 65.94 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 118.785 -1.166 . . . . 0.0 112.049 178.124 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 34.7 m -69.49 -35.49 66.89 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.263 0 C-N-CA 118.552 -1.259 . . . . 0.0 111.796 -178.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.715 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . . . -68.44 -48.13 65.37 Favored 'General case' 0 C--O 1.249 1.061 0 C-N-CA 118.923 -1.111 . . . . 0.0 111.714 -179.608 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.9 -39.93 96.0 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.036 179.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 5.8 mp -65.58 -34.56 78.52 Favored 'General case' 0 C--O 1.22 -0.45 0 C-N-CA 119.244 -0.982 . . . . 0.0 109.903 176.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 36.8 m -62.89 -50.45 70.83 Favored 'General case' 0 C--O 1.247 0.948 0 C-N-CA 119.578 -0.849 . . . . 0.0 111.163 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 13.5 p -63.88 -38.34 82.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 C-N-CA 119.121 -1.031 . . . . 0.0 110.522 178.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.49 -30.37 71.14 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 121.135 0.493 . . . . 0.0 110.06 178.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 12.4 t -69.07 -54.25 16.08 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.429 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -55.87 -40.98 73.7 Favored 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 118.396 -1.322 . . . . 0.0 108.378 178.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -59.88 -37.42 79.33 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.962 177.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.529 ' O ' ' O ' ' B' ' 91' ' ' GLU . 67.3 t80 -63.33 -46.97 84.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -65.7 -52.4 51.68 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 120.266 -0.574 . . . . 0.0 111.949 -179.186 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 90' ' ' TRP . . . . . 0.495 ' CD1' ' C ' ' B' ' 90' ' ' TRP . 21.1 t-105 -63.35 -39.3 94.16 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.277 0.56 . . . . 0.0 112.301 179.766 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . 0.529 ' O ' ' O ' ' B' ' 88' ' ' PHE . 2.9 tm-20 . . . . . 0 C--N 1.319 -0.754 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.124 -177.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 . . . . . 0 C--O 1.24 0.579 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.622 HD23 ' O ' ' A' ' 4' ' ' LEU . 1.7 tt -61.74 -41.65 97.93 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 118.982 -1.087 . . . . 0.0 108.408 -178.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -65.14 -37.69 88.23 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.523 178.061 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.7 m -59.59 -42.21 92.05 Favored 'General case' 0 C--O 1.239 0.511 0 C-N-CA 119.837 -0.745 . . . . 0.0 109.356 179.495 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.85 -45.09 91.07 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.114 179.123 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.406 ' SD ' HD22 ' A' ' 4' ' ' LEU . 99.4 mtp -60.18 -40.83 91.37 Favored 'General case' 0 C--O 1.245 0.868 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.362 179.615 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.56 -36.58 84.69 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 120.174 -0.611 . . . . 0.0 109.513 177.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 58.6 m -63.86 -42.03 97.64 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 119.529 -0.869 . . . . 0.0 110.036 178.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.471 ' HB2' HG21 ' B' ' 82' ' ' THR . 37.2 mt -59.12 -43.21 91.95 Favored 'General case' 0 C--O 1.241 0.634 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 179.774 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 98.4 mt -62.09 -45.16 99.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 114.726 -1.124 . . . . 0.0 111.893 178.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -61.16 -41.24 96.42 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -178.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.1 m -72.91 -37.76 54.98 Favored 'Isoleucine or valine' 0 C--O 1.255 1.348 0 C-N-CA 118.915 -1.114 . . . . 0.0 110.135 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.58 ' O ' ' HD2' ' A' ' 18' ' ' HIS . 86.4 t80 -59.77 -42.56 93.6 Favored 'General case' 0 C--O 1.241 0.623 0 C-N-CA 119.206 -0.997 . . . . 0.0 109.926 177.357 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -67.85 -35.26 78.24 Favored 'General case' 0 N--CA 1.437 -1.108 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.82 177.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.587 ' O ' ' HB2' ' A' ' 21' ' ' LYS . . . -59.29 -50.59 73.39 Favored 'General case' 0 N--CA 1.437 -1.099 0 C-N-CA 118.929 -1.108 . . . . 0.0 111.235 -178.325 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.69 ' CG ' HD12 ' A' ' 36' ' ' LEU . 0.5 OUTLIER -81.31 -48.99 11.26 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 117.218 -1.793 . . . . 0.0 113.767 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.605 ' H ' ' CD2' ' A' ' 18' ' ' HIS . 23.2 t -60.92 -40.23 92.39 Favored 'General case' 0 C--N 1.351 0.636 0 C-N-CA 118.458 -1.297 . . . . 0.0 109.829 -179.479 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -73.54 -44.93 31.16 Favored Glycine 0 C--N 1.343 0.956 0 CA-C-N 115.777 -0.647 . . . . 0.0 112.449 179.061 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.587 ' HB2' ' O ' ' A' ' 17' ' ' ALA . 5.8 ttpm? -58.8 -43.34 90.53 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.124 -0.63 . . . . 0.0 111.291 -179.579 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.505 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 97.0 mt-10 -132.78 145.4 50.97 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 120.563 -0.455 . . . . 0.0 111.303 178.339 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.66 -162.98 54.38 Favored Glycine 0 CA--C 1.521 0.464 0 N-CA-C 111.384 -0.686 . . . . 0.0 111.384 178.006 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -68.88 143.66 54.45 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 178.215 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.439 ' O ' ' OG ' ' A' ' 19' ' ' SER . 25.5 mtmm -60.05 -32.14 70.64 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 -177.645 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.601 ' OH ' ' CE3' ' B' ' 90' ' ' TRP . 98.3 m-85 -107.29 19.69 19.99 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 113.342 0.868 . . . . 0.0 113.342 -178.065 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.421 ' HZ3' ' HG2' ' A' ' 68' ' ' GLU . 16.7 tptm -139.65 140.36 36.9 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 119.103 -1.039 . . . . 0.0 109.23 179.509 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.478 ' C ' ' OE2' ' A' ' 68' ' ' GLU . 17.8 tp -117.65 130.7 56.53 Favored 'General case' 0 CA--C 1.528 0.112 0 C-N-CA 120.555 -0.458 . . . . 0.0 111.984 -177.074 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.463 ' CA ' ' OE2' ' A' ' 68' ' ' GLU . 80.9 p -105.07 166.08 10.64 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 179.314 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.4 ttpm? -52.98 -47.0 68.51 Favored 'General case' 0 C--O 1.241 0.634 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 -177.077 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.583 ' HG3' ' N ' ' A' ' 32' ' ' GLU . 51.2 pttt -59.5 -46.51 88.62 Favored 'General case' 0 N--CA 1.439 -1.0 0 C-N-CA 119.729 -0.788 . . . . 0.0 109.885 -178.501 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.583 ' N ' ' HG3' ' A' ' 31' ' ' LYS . 93.0 mt-10 -61.3 -51.29 69.5 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 119.845 -0.742 . . . . 0.0 111.798 -177.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.07 -37.27 76.68 Favored 'General case' 0 CA--C 1.507 -0.679 0 C-N-CA 116.954 -1.898 . . . . 0.0 109.363 178.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.0 tptm -54.13 -36.36 63.19 Favored 'General case' 0 N--CA 1.439 -1.004 0 C-N-CA 118.152 -1.419 . . . . 0.0 108.197 -179.438 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.888 ' O ' HG23 ' A' ' 39' ' ' THR . 76.9 mm-40 -73.8 -43.37 59.07 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 120.114 -0.634 . . . . 0.0 112.523 178.784 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.82 HD23 ' O ' ' A' ' 36' ' ' LEU . 5.9 tt -67.03 -46.68 73.7 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 118.48 -1.288 . . . . 0.0 111.977 -177.349 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.55 ' O ' ' O ' ' A' ' 41' ' ' LEU . 2.9 mm? -59.35 -43.38 92.79 Favored 'General case' 0 CA--C 1.514 -0.418 0 C-N-CA 118.463 -1.295 . . . . 0.0 110.368 -178.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -64.13 -38.98 93.01 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.244 -0.582 . . . . 0.0 111.604 178.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.888 HG23 ' O ' ' A' ' 35' ' ' GLU . 61.9 p -71.54 -34.43 70.02 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 -179.091 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -101.01 -57.66 2.05 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 112.654 0.612 . . . . 0.0 112.654 -179.121 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.55 ' O ' ' O ' ' A' ' 37' ' ' LEU . 30.5 mt -96.68 143.29 27.77 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.183 0.516 . . . . 0.0 111.09 -178.325 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.53 ' OG ' ' N ' ' A' ' 43' ' ' GLY . 90.6 p -111.57 -76.72 0.59 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.773 179.371 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.53 ' N ' ' OG ' ' A' ' 42' ' ' SER . . . -57.15 -36.03 72.89 Favored Glycine 0 CA--C 1.532 1.094 0 CA-C-N 115.663 -0.699 . . . . 0.0 114.021 -178.613 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -60.49 -57.78 11.27 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 118.196 0.998 . . . . 0.0 112.543 -177.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.463 HD13 ' O ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -72.88 -40.59 65.47 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-O 121.703 0.763 . . . . 0.0 110.037 -179.794 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.433 ' CB ' ' O ' ' A' ' 42' ' ' SER . 59.5 t0 -62.5 -29.94 70.91 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 114.549 -1.205 . . . . 0.0 113.069 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.5 ' HB2' ' O ' ' A' ' 43' ' ' GLY . . . -54.69 -34.13 61.87 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -176.116 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 91.6 mm-40 -62.31 -36.33 81.82 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 119.532 -0.867 . . . . 0.0 109.199 179.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.536 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 98.2 mttt 61.37 36.3 17.53 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.172 -0.922 . . . . 0.0 112.92 178.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.536 ' OD1' ' O ' ' A' ' 49' ' ' LYS . 92.3 m-20 -144.66 149.02 34.96 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 120.974 -0.291 . . . . 0.0 110.561 178.167 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.562 ' O ' HG12 ' A' ' 54' ' ' VAL . 6.8 m -72.84 -32.65 41.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 N-CA-C 108.955 -0.758 . . . . 0.0 108.955 178.151 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -62.01 -30.04 70.68 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 114.832 -1.076 . . . . 0.0 110.529 178.39 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.546 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -53.42 -37.24 62.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.194 -0.912 . . . . 0.0 112.298 -176.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.562 HG12 ' O ' ' A' ' 51' ' ' VAL . 9.0 p -61.24 -43.59 96.77 Favored 'Isoleucine or valine' 0 C--O 1.24 0.598 0 C-N-CA 118.678 -1.209 . . . . 0.0 109.999 179.154 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.554 ' N ' HG13 ' A' ' 54' ' ' VAL . 92.5 m-20 -61.92 -43.47 98.78 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.06 179.055 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 55.7 mttm -62.25 -39.25 92.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.378 179.198 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 53' ' ' ALA . 61.6 t -65.32 -44.19 94.87 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.475 0 CA-C-N 115.504 -0.771 . . . . 0.0 112.644 -178.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.428 ' CE ' ' O ' ' A' ' 67' ' ' GLY . 0.0 OUTLIER -66.27 -32.68 74.24 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 119.262 -0.975 . . . . 0.0 113.545 -179.011 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 36.2 mmtt -60.1 -41.35 92.37 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 -178.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -72.36 -35.43 68.51 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 119.417 -0.913 . . . . 0.0 110.572 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 79.3 mt -67.33 -34.84 78.19 Favored 'General case' 0 CA--C 1.509 -0.612 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.456 179.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.538 ' OD2' ' N ' ' A' ' 66' ' ' ASP . 41.2 t0 -71.61 78.15 0.82 Allowed 'General case' 0 N--CA 1.443 -0.789 0 C-N-CA 118.954 -1.098 . . . . 0.0 110.841 -178.235 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -64.09 -38.21 90.25 Favored 'General case' 0 CA--C 1.501 -0.916 0 CA-C-O 123.156 1.455 . . . . 0.0 107.399 176.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.473 ' OD1' ' CG ' ' A' ' 66' ' ' ASP . 17.3 t-20 -58.39 -39.4 79.55 Favored 'General case' 0 N--CA 1.432 -1.336 0 CA-C-N 111.568 -2.56 . . . . 0.0 112.122 178.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.511 ' H ' ' CG ' ' A' ' 62' ' ' ASP . . . 87.33 12.99 66.54 Favored Glycine 0 CA--C 1.533 1.188 0 C-N-CA 121.136 -0.554 . . . . 0.0 112.753 178.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.538 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 55.0 p30 -91.18 5.47 48.92 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 -179.689 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.428 ' O ' ' CE ' ' A' ' 58' ' ' MET . . . 71.22 1.95 45.15 Favored Glycine 0 N--CA 1.466 0.686 0 N-CA-C 110.092 -1.203 . . . . 0.0 110.092 179.628 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.478 ' OE2' ' C ' ' A' ' 28' ' ' LEU . 44.2 tp10 -117.33 144.24 45.11 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 -179.687 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.419 ' HA ' ' OE1' ' A' ' 73' ' ' GLU . 59.7 t -99.65 132.5 45.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 C-N-CA 120.691 -0.404 . . . . 0.0 109.991 -178.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.504 ' C ' ' OD1' ' A' ' 70' ' ' ASP . 16.8 p30 -104.75 171.65 7.21 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 119.938 -0.705 . . . . 0.0 110.075 -179.339 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -53.84 -45.0 70.77 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.368 -178.634 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -61.34 -40.28 93.65 Favored 'General case' 0 C--O 1.243 0.762 0 C-N-CA 120.034 -0.666 . . . . 0.0 111.545 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.482 ' O ' HG22 ' A' ' 76' ' ' VAL . 79.3 mt-10 -64.62 -42.49 95.46 Favored 'General case' 0 C--O 1.243 0.734 0 CA-C-O 122.105 0.955 . . . . 0.0 109.887 179.744 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -63.42 -41.23 98.69 Favored 'General case' 0 C--O 1.245 0.862 0 CA-C-O 122.413 1.101 . . . . 0.0 110.448 177.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.623 HG13 ' HB1' ' B' ' 79' ' ' ALA . 0.5 OUTLIER -59.51 -47.91 89.17 Favored 'Isoleucine or valine' 0 C--O 1.251 1.162 0 CA-C-N 113.802 -1.545 . . . . 0.0 109.77 -179.11 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.482 HG22 ' O ' ' A' ' 73' ' ' GLU . 15.3 m -67.48 -34.46 68.63 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.604 0 C-N-CA 117.856 -1.538 . . . . 0.0 109.245 178.513 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.537 ' O ' HD13 ' A' ' 81' ' ' LEU . 35.3 tp -55.36 -51.94 65.13 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 118.593 -1.243 . . . . 0.0 111.605 178.06 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 34.9 m -68.55 -36.12 73.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 C-N-CA 118.151 -1.419 . . . . 0.0 111.692 -178.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.734 ' HB2' ' HB2' ' B' ' 79' ' ' ALA . . . -67.78 -48.57 65.96 Favored 'General case' 0 C--O 1.251 1.171 0 C-N-CA 118.816 -1.154 . . . . 0.0 112.043 -179.283 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.14 -39.9 96.03 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.153 179.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.537 HD13 ' O ' ' A' ' 77' ' ' LEU . 9.4 mp -64.66 -34.85 79.25 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 119.139 -1.024 . . . . 0.0 109.832 176.642 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.469 HG21 ' HB2' ' B' ' 11' ' ' LEU . 52.3 m -63.0 -50.06 72.2 Favored 'General case' 0 C--O 1.246 0.891 0 C-N-CA 119.752 -0.779 . . . . 0.0 111.633 179.463 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 14.5 p -63.21 -38.73 82.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 118.894 -1.122 . . . . 0.0 110.321 178.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.87 -30.97 71.99 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 121.188 0.518 . . . . 0.0 109.859 178.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 36.0 t -67.8 -54.81 16.2 Favored 'General case' 0 CA--C 1.509 -0.601 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.734 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -56.75 -42.83 79.99 Favored 'General case' 0 C--O 1.24 0.575 0 C-N-CA 118.669 -1.212 . . . . 0.0 109.508 179.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -59.93 -38.18 81.63 Favored 'General case' 0 C--O 1.22 -0.465 0 C-N-CA 119.955 -0.698 . . . . 0.0 109.338 178.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.523 ' O ' ' O ' ' A' ' 91' ' ' GLU . 67.1 t80 -62.29 -45.61 92.5 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.184 -179.64 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -66.41 -54.88 19.23 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.389 -0.525 . . . . 0.0 112.149 -179.048 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.615 ' CE3' ' OH ' ' B' ' 26' ' ' TYR . 25.2 t-105 -64.87 -40.46 95.16 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.191 0.52 . . . . 0.0 112.355 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.523 ' O ' ' O ' ' A' ' 88' ' ' PHE . 1.5 tm-20 . . . . . 0 C--N 1.32 -0.702 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.567 -178.098 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 . . . . . 0 C--O 1.24 0.59 0 N-CA-C 112.862 0.69 . . . . 0.0 112.862 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.625 HD23 ' O ' ' B' ' 4' ' ' LEU . 1.7 tt -61.79 -41.53 97.85 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 118.96 -1.096 . . . . 0.0 108.461 -178.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -65.17 -37.74 88.34 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.555 178.015 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 46.1 m -59.63 -42.1 91.93 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 119.84 -0.744 . . . . 0.0 109.289 179.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.0 -44.98 90.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.116 179.195 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . 0.414 ' SD ' HD22 ' B' ' 4' ' ' LEU . 99.3 mtp -60.22 -40.7 91.07 Favored 'General case' 0 C--O 1.246 0.895 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.446 179.564 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.6 -37.3 87.1 Favored 'General case' 0 CA--C 1.51 -0.581 0 C-N-CA 120.026 -0.67 . . . . 0.0 109.417 177.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 56.8 m -62.98 -42.3 99.8 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 119.634 -0.826 . . . . 0.0 110.224 178.495 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.469 ' HB2' HG21 ' A' ' 82' ' ' THR . 42.4 mt -59.22 -43.03 92.32 Favored 'General case' 0 C--O 1.241 0.643 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 179.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 98.3 mt -62.14 -45.06 99.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 114.758 -1.11 . . . . 0.0 111.892 178.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -61.27 -41.19 96.52 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -178.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 17.3 m -72.92 -37.79 54.94 Favored 'Isoleucine or valine' 0 C--O 1.254 1.331 0 C-N-CA 118.928 -1.109 . . . . 0.0 110.136 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.581 ' O ' ' HD2' ' B' ' 18' ' ' HIS . 86.5 t80 -59.78 -42.54 93.55 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-O 122.235 1.017 . . . . 0.0 109.906 177.368 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -67.91 -35.18 78.01 Favored 'General case' 0 N--CA 1.437 -1.113 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.806 177.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.582 ' O ' ' HB2' ' B' ' 21' ' ' LYS . . . -59.38 -50.62 73.24 Favored 'General case' 0 N--CA 1.438 -1.07 0 C-N-CA 118.987 -1.085 . . . . 0.0 111.204 -178.342 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.694 ' CG ' HD12 ' B' ' 36' ' ' LEU . 0.5 OUTLIER -81.28 -49.01 11.26 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 117.245 -1.782 . . . . 0.0 113.718 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.611 ' H ' ' CD2' ' B' ' 18' ' ' HIS . 23.3 t -60.95 -40.29 92.74 Favored 'General case' 0 C--N 1.352 0.701 0 C-N-CA 118.439 -1.305 . . . . 0.0 109.805 -179.438 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -73.44 -44.81 32.2 Favored Glycine 0 C--N 1.343 0.942 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.516 179.039 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . 0.582 ' HB2' ' O ' ' B' ' 17' ' ' ALA . 5.8 ttpm? -58.86 -43.36 90.81 Favored 'General case' 0 N--CA 1.463 0.184 0 C-N-CA 120.032 -0.667 . . . . 0.0 111.255 -179.613 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.512 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 97.0 mt-10 -132.72 145.48 51.07 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 120.538 -0.465 . . . . 0.0 111.256 178.406 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.7 -163.01 54.39 Favored Glycine 0 CA--C 1.521 0.468 0 N-CA-C 111.405 -0.678 . . . . 0.0 111.405 177.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -68.88 143.48 54.5 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 178.124 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.439 ' O ' ' OG ' ' B' ' 19' ' ' SER . 25.6 mtmm -60.0 -32.17 70.61 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -177.559 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.615 ' OH ' ' CE3' ' A' ' 90' ' ' TRP . 98.4 m-85 -107.21 19.66 20.05 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 -178.089 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.424 ' HZ3' ' HG2' ' B' ' 68' ' ' GLU . 16.3 tptm -139.65 140.48 36.94 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 119.034 -1.066 . . . . 0.0 109.254 179.444 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.466 ' C ' ' OE2' ' B' ' 68' ' ' GLU . 17.8 tp -117.69 130.74 56.53 Favored 'General case' 0 C--N 1.333 -0.123 0 C-N-CA 120.544 -0.463 . . . . 0.0 112.009 -177.126 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.471 ' CA ' ' OE2' ' B' ' 68' ' ' GLU . 82.3 p -105.0 166.02 10.67 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 179.289 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 6.4 ttpm? -52.87 -47.08 68.07 Favored 'General case' 0 C--O 1.24 0.566 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -177.182 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.594 ' HG3' ' N ' ' B' ' 32' ' ' GLU . 51.2 pttt -59.61 -46.51 88.76 Favored 'General case' 0 N--CA 1.44 -0.971 0 C-N-CA 119.651 -0.82 . . . . 0.0 109.767 -178.438 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.594 ' N ' ' HG3' ' B' ' 31' ' ' LYS . 93.0 mt-10 -61.22 -51.32 69.47 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 119.82 -0.752 . . . . 0.0 111.81 -177.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.07 -37.31 76.78 Favored 'General case' 0 CA--C 1.508 -0.637 0 C-N-CA 117.079 -1.848 . . . . 0.0 109.316 179.022 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 12.0 tptm -54.11 -36.33 63.12 Favored 'General case' 0 N--CA 1.439 -1.023 0 C-N-CA 118.164 -1.415 . . . . 0.0 108.219 -179.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.893 ' O ' HG23 ' B' ' 39' ' ' THR . 76.8 mm-40 -73.86 -43.48 58.47 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 120.087 -0.645 . . . . 0.0 112.437 178.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.83 HD23 ' O ' ' B' ' 36' ' ' LEU . 5.8 tt -66.83 -46.74 74.2 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 118.548 -1.261 . . . . 0.0 112.03 -177.392 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.557 ' O ' ' O ' ' B' ' 41' ' ' LEU . 2.9 mm? -59.38 -43.32 92.92 Favored 'General case' 0 CA--C 1.516 -0.357 0 C-N-CA 118.49 -1.284 . . . . 0.0 110.366 -178.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -64.21 -38.97 92.97 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.262 -0.575 . . . . 0.0 111.575 178.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.893 HG23 ' O ' ' B' ' 35' ' ' GLU . 61.9 p -71.57 -34.35 69.86 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 -179.098 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -101.01 -57.81 2.02 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 -179.11 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.557 ' O ' ' O ' ' B' ' 37' ' ' LEU . 30.4 mt -96.66 143.33 27.72 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.24 0.543 . . . . 0.0 111.126 -178.305 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.524 ' OG ' ' N ' ' B' ' 43' ' ' GLY . 91.6 p -111.55 -76.77 0.59 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.757 179.43 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . 0.524 ' N ' ' OG ' ' B' ' 42' ' ' SER . . . -57.1 -36.06 72.67 Favored Glycine 0 CA--C 1.532 1.143 0 CA-C-N 115.588 -0.733 . . . . 0.0 113.96 -178.593 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -60.47 -57.72 11.52 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 118.209 1.004 . . . . 0.0 112.592 -177.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.456 HD13 ' O ' ' B' ' 45' ' ' LEU . 0.2 OUTLIER -72.95 -40.58 65.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.732 0.777 . . . . 0.0 109.978 -179.796 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.444 ' CB ' ' O ' ' B' ' 42' ' ' SER . 59.6 t0 -62.59 -29.95 70.97 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 114.575 -1.193 . . . . 0.0 113.058 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . 0.495 ' HB2' ' O ' ' B' ' 43' ' ' GLY . . . -54.6 -34.18 61.59 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -176.215 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 91.6 mm-40 -62.26 -36.37 81.86 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 119.528 -0.869 . . . . 0.0 109.233 179.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.557 ' O ' ' OD1' ' B' ' 50' ' ' ASP . 98.2 mttt 61.46 36.3 17.24 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.127 -0.942 . . . . 0.0 112.862 178.74 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . 0.557 ' OD1' ' O ' ' B' ' 49' ' ' LYS . 92.2 m-20 -144.67 148.99 34.9 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 120.931 -0.307 . . . . 0.0 110.605 178.179 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . 0.563 ' O ' HG12 ' B' ' 54' ' ' VAL . 7.1 m -72.82 -32.72 41.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 178.221 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -62.04 -29.96 70.64 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 114.921 -1.036 . . . . 0.0 110.491 178.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.537 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -53.42 -37.27 62.37 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.19 -0.914 . . . . 0.0 112.302 -176.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.563 HG12 ' O ' ' B' ' 51' ' ' VAL . 9.2 p -61.24 -43.64 96.86 Favored 'Isoleucine or valine' 0 C--O 1.241 0.65 0 C-N-CA 118.755 -1.178 . . . . 0.0 109.881 179.254 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.546 ' N ' HG13 ' B' ' 54' ' ' VAL . 92.2 m-20 -61.87 -43.61 98.5 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.06 179.049 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 55.8 mttm -62.04 -39.31 91.9 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.444 179.15 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.537 HG23 ' O ' ' B' ' 53' ' ' ALA . 62.1 t -65.3 -44.31 94.9 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.427 0 CA-C-N 115.435 -0.802 . . . . 0.0 112.589 -178.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.427 ' CE ' ' O ' ' B' ' 67' ' ' GLY . 0.0 OUTLIER -66.14 -32.76 74.39 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 119.291 -0.964 . . . . 0.0 113.546 -179.001 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 36.1 mmtt -60.13 -41.34 92.46 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 113.129 0.789 . . . . 0.0 113.129 -178.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -72.33 -35.42 68.57 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 119.435 -0.906 . . . . 0.0 110.556 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 79.3 mt -67.38 -34.74 77.9 Favored 'General case' 0 CA--C 1.509 -0.612 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.504 179.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.541 ' OD2' ' N ' ' B' ' 66' ' ' ASP . 41.2 t0 -71.73 78.22 0.85 Allowed 'General case' 0 N--CA 1.442 -0.85 0 C-N-CA 118.91 -1.116 . . . . 0.0 110.787 -178.187 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -64.06 -38.19 90.17 Favored 'General case' 0 CA--C 1.5 -0.946 0 CA-C-O 123.13 1.443 . . . . 0.0 107.386 176.202 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.476 ' OD1' ' OD2' ' B' ' 66' ' ' ASP . 17.3 t-20 -58.51 -39.37 79.91 Favored 'General case' 0 C--N 1.305 -1.347 0 CA-C-N 111.575 -2.557 . . . . 0.0 112.141 179.057 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.514 ' H ' ' CG ' ' B' ' 62' ' ' ASP . . . 87.42 12.95 66.4 Favored Glycine 0 CA--C 1.533 1.186 0 C-N-CA 121.176 -0.535 . . . . 0.0 112.711 178.726 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.541 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 54.8 p30 -91.09 5.41 49.06 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -179.614 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.427 ' O ' ' CE ' ' B' ' 58' ' ' MET . . . 71.13 1.97 44.72 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.138 -1.185 . . . . 0.0 110.138 179.735 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.471 ' OE2' ' CA ' ' B' ' 29' ' ' SER . 43.8 tp10 -117.39 144.33 45.07 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 -179.647 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.423 ' HA ' ' OE1' ' B' ' 73' ' ' GLU . 59.9 t -99.77 132.63 44.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 C-N-CA 120.645 -0.422 . . . . 0.0 109.983 -178.732 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.511 ' C ' ' OD1' ' B' ' 70' ' ' ASP . 17.4 p30 -104.71 171.56 7.26 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 120.026 -0.67 . . . . 0.0 110.094 -179.33 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -53.87 -45.0 70.89 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.318 -178.666 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -61.35 -40.21 93.46 Favored 'General case' 0 C--O 1.244 0.783 0 C-N-CA 120.009 -0.677 . . . . 0.0 111.637 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.476 ' O ' HG22 ' B' ' 76' ' ' VAL . 79.3 mt-10 -64.59 -42.48 95.57 Favored 'General case' 0 C--O 1.242 0.661 0 CA-C-O 122.11 0.957 . . . . 0.0 109.908 179.665 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -63.42 -41.31 98.69 Favored 'General case' 0 C--O 1.244 0.785 0 CA-C-O 122.462 1.125 . . . . 0.0 110.446 177.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.621 HG13 ' HB1' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -59.53 -47.81 89.56 Favored 'Isoleucine or valine' 0 C--O 1.252 1.189 0 CA-C-N 113.725 -1.58 . . . . 0.0 109.74 -179.042 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.476 HG22 ' O ' ' B' ' 73' ' ' GLU . 15.3 m -67.6 -34.35 67.63 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.588 0 C-N-CA 117.792 -1.563 . . . . 0.0 109.277 178.534 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.536 ' O ' HD13 ' B' ' 81' ' ' LEU . 34.9 tp -55.38 -51.93 65.22 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 118.576 -1.25 . . . . 0.0 111.619 178.046 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 34.8 m -68.5 -36.15 73.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 C-N-CA 118.168 -1.413 . . . . 0.0 111.733 -178.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.734 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . . . -67.79 -48.52 66.06 Favored 'General case' 0 C--O 1.252 1.207 0 C-N-CA 118.883 -1.127 . . . . 0.0 112.052 -179.313 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.21 -39.89 95.93 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.536 HD13 ' O ' ' B' ' 77' ' ' LEU . 9.3 mp -64.58 -34.95 79.44 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 119.091 -1.044 . . . . 0.0 109.796 176.636 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.471 HG21 ' HB2' ' A' ' 11' ' ' LEU . 52.9 m -62.95 -50.02 72.44 Favored 'General case' 0 C--O 1.246 0.889 0 C-N-CA 119.776 -0.77 . . . . 0.0 111.592 179.65 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 14.5 p -63.21 -38.74 82.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 118.927 -1.109 . . . . 0.0 110.296 178.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.99 -30.84 71.86 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-O 121.198 0.523 . . . . 0.0 109.865 178.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 36.1 t -67.85 -54.8 16.16 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.707 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -56.65 -42.93 79.77 Favored 'General case' 0 C--O 1.238 0.494 0 C-N-CA 118.669 -1.212 . . . . 0.0 109.611 179.532 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -59.92 -38.22 81.73 Favored 'General case' 0 C--O 1.22 -0.451 0 C-N-CA 119.929 -0.708 . . . . 0.0 109.302 178.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.524 ' O ' ' O ' ' B' ' 91' ' ' GLU . 67.3 t80 -62.26 -45.65 92.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.101 -179.613 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -66.41 -54.89 19.15 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 120.39 -0.524 . . . . 0.0 112.125 -178.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 90' ' ' TRP . . . . . 0.601 ' CE3' ' OH ' ' A' ' 26' ' ' TYR . 25.2 t-105 -64.8 -40.54 95.4 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.159 0.504 . . . . 0.0 112.308 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . 0.524 ' O ' ' O ' ' B' ' 88' ' ' PHE . 1.5 tm-20 . . . . . 0 C--N 1.32 -0.711 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.674 -178.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.617 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.4 m -62.71 154.86 28.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.623 0.249 . . . . 0.0 110.36 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -61.73 -37.55 84.66 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 120.767 -0.373 . . . . 0.0 111.729 -179.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.478 HD23 ' O ' ' A' ' 4' ' ' LEU . 5.7 tt -61.05 -41.26 96.27 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 -179.118 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -65.06 -37.59 88.05 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.144 178.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 43.9 m -59.31 -40.96 87.89 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 179.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.3 -45.94 85.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.357 179.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 99.1 mtp -59.85 -41.11 90.72 Favored 'General case' 0 C--O 1.247 0.944 0 CA-C-O 121.581 0.705 . . . . 0.0 109.839 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.17 -35.68 81.83 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.542 -0.753 . . . . 0.0 109.926 177.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 49.4 m -64.03 -42.91 96.92 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 119.73 -0.788 . . . . 0.0 109.913 179.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 36.9 mt -61.7 -42.67 99.24 Favored 'General case' 0 C--O 1.241 0.642 0 C-N-CA 119.286 -0.966 . . . . 0.0 108.846 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.9 mt -61.86 -45.18 99.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.994 178.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -61.97 -40.61 96.2 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.948 0.721 . . . . 0.0 112.948 -179.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.3 m -74.58 -41.55 48.64 Favored 'Isoleucine or valine' 0 C--O 1.255 1.382 0 C-N-CA 119.185 -1.006 . . . . 0.0 111.24 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -60.44 -48.09 83.28 Favored 'General case' 0 CA--C 1.513 -0.465 0 C-N-CA 119.111 -1.035 . . . . 0.0 109.826 177.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -63.76 -34.95 79.05 Favored 'General case' 0 CA--C 1.501 -0.926 0 CA-C-N 115.25 -0.887 . . . . 0.0 110.006 178.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.541 ' O ' ' HB2' ' A' ' 21' ' ' LYS . . . -57.85 -51.63 68.81 Favored 'General case' 0 N--CA 1.434 -1.231 0 C-N-CA 118.69 -1.204 . . . . 0.0 109.431 -178.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.466 ' HB2' HD12 ' A' ' 36' ' ' LEU . 23.2 m-70 -79.2 -52.18 8.5 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 114.589 1.329 . . . . 0.0 114.589 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.46 ' OG ' ' O ' ' A' ' 25' ' ' LYS . 22.7 t -57.98 -40.9 81.79 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 118.786 -1.166 . . . . 0.0 108.99 -179.23 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.14 -44.16 68.01 Favored Glycine 0 C--N 1.343 0.918 0 CA-C-N 115.223 -0.899 . . . . 0.0 112.097 178.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.541 ' HB2' ' O ' ' A' ' 17' ' ' ALA . 6.0 ttpm? -59.41 -42.21 91.25 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 120.133 -0.627 . . . . 0.0 112.012 -179.22 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.578 ' OE1' ' NZ ' ' A' ' 31' ' ' LYS . 97.2 mt-10 -129.32 151.87 49.49 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.27 -148.22 29.73 Favored Glycine 0 N--CA 1.464 0.552 0 CA-C-N 115.778 -0.646 . . . . 0.0 112.341 177.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -71.14 139.54 50.28 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 179.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.46 ' O ' ' OG ' ' A' ' 19' ' ' SER . 33.9 mtmt -61.62 -32.45 72.59 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.814 -178.141 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.591 ' OH ' ' CD2' ' B' ' 90' ' ' TRP . 96.2 m-85 -106.7 20.12 19.48 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -177.445 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.55 ' NZ ' ' OD2' ' A' ' 66' ' ' ASP . 3.9 tptt -137.97 137.83 38.32 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 119.437 -0.905 . . . . 0.0 109.017 178.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.5 tp -112.12 128.55 56.25 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 -178.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 92.6 p -101.31 166.8 10.57 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 116.69 -0.232 . . . . 0.0 110.882 -179.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.6 ttpt -53.42 -48.35 68.81 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-O 121.057 0.456 . . . . 0.0 112.077 -177.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.58 ' HG3' ' N ' ' A' ' 32' ' ' GLU . 17.5 pttp -61.05 -48.49 81.5 Favored 'General case' 0 N--CA 1.441 -0.899 0 C-N-CA 119.887 -0.725 . . . . 0.0 110.111 -178.606 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.58 ' N ' ' HG3' ' A' ' 31' ' ' LYS . 95.1 mt-10 -63.06 -49.91 72.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.244 -178.407 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.49 HD22 HG21 ' A' ' 69' ' ' VAL . 1.2 pp -60.97 -35.69 77.45 Favored 'General case' 0 CA--C 1.498 -1.033 0 C-N-CA 118.7 -1.2 . . . . 0.0 109.921 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.493 ' HG3' HE21 ' A' ' 38' ' ' GLN . 20.6 tptm -55.49 -37.04 67.3 Favored 'General case' 0 N--CA 1.433 -1.302 0 C-N-CA 118.11 -1.436 . . . . 0.0 108.37 178.452 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.776 ' O ' HG23 ' A' ' 39' ' ' THR . 96.6 mt-10 -75.9 -41.29 52.44 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 112.984 0.735 . . . . 0.0 112.984 179.574 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.756 HD23 ' O ' ' A' ' 36' ' ' LEU . 2.7 tt -65.14 -45.45 84.97 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 120.416 -0.514 . . . . 0.0 111.563 -177.118 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.565 ' CD2' ' N ' ' A' ' 37' ' ' LEU . 1.2 mm? -64.54 -42.78 95.51 Favored 'General case' 0 CA--C 1.521 -0.164 0 C-N-CA 118.536 -1.266 . . . . 0.0 111.243 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.493 HE21 ' HG3' ' A' ' 34' ' ' LYS . 49.0 mt-30 -64.5 -39.54 93.98 Favored 'General case' 0 C--O 1.232 0.142 0 C-N-CA 119.942 -0.703 . . . . 0.0 111.861 179.499 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.776 HG23 ' O ' ' A' ' 35' ' ' GLU . 66.2 p -70.4 -38.21 74.6 Favored 'General case' 0 C--O 1.232 0.134 0 C-N-CA 120.046 -0.661 . . . . 0.0 111.577 -179.46 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -92.25 -52.97 4.43 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.539 ' O ' ' O ' ' A' ' 37' ' ' LEU . 30.9 mt -104.17 141.59 35.98 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 121.138 0.494 . . . . 0.0 111.136 -179.336 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 m -113.38 -68.26 0.94 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.511 179.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.42 -37.66 88.58 Favored Glycine 0 CA--C 1.53 0.993 0 CA-C-N 115.521 -0.763 . . . . 0.0 113.853 -178.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -60.26 -53.02 62.62 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 118.086 0.943 . . . . 0.0 112.085 -178.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -75.76 -40.1 55.93 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 120.359 -0.536 . . . . 0.0 111.324 178.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -60.45 -33.34 72.41 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.417 -179.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.12 -34.77 70.58 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 -177.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.471 ' C ' ' H ' ' A' ' 50' ' ' ASP . 93.6 mm-40 -61.73 -34.41 75.75 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.123 -0.631 . . . . 0.0 109.637 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 79.5 tttt 67.59 -32.48 0.2 Allowed 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.299 -0.864 . . . . 0.0 112.095 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.471 ' H ' ' C ' ' A' ' 48' ' ' GLN . 88.1 m-20 -70.54 142.67 51.78 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.452 -0.499 . . . . 0.0 111.311 -179.664 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.7 m -72.72 -29.61 30.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.619 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -83.73 1.87 40.6 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.23 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.498 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -58.18 -38.21 76.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.79 -178.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.606 HG13 ' N ' ' A' ' 55' ' ' ASP . 7.3 p -59.76 -43.99 92.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 C-N-CA 119.785 -0.766 . . . . 0.0 110.097 179.222 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.606 ' N ' HG13 ' A' ' 54' ' ' VAL . 89.3 m-20 -62.86 -43.59 98.39 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.451 179.583 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 51.5 mttp -61.96 -40.32 95.15 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.951 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 53' ' ' ALA . 69.9 t -66.76 -46.39 85.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.352 -179.143 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -65.05 -34.33 78.16 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 -178.253 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.3 mtmt -58.93 -41.14 86.63 Favored 'General case' 0 CA--C 1.52 -0.175 0 C-N-CA 119.192 -1.003 . . . . 0.0 110.923 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -65.52 -39.58 91.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.221 0.534 . . . . 0.0 110.961 178.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 71.7 mt -67.71 -35.43 78.78 Favored 'General case' 0 CA--C 1.51 -0.565 0 CA-C-N 115.485 -0.78 . . . . 0.0 112.651 -178.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.487 ' CG ' ' H ' ' A' ' 65' ' ' GLY . 44.9 t0 -72.2 72.56 0.91 Allowed 'General case' 0 N--CA 1.445 -0.691 0 C-N-CA 118.347 -1.341 . . . . 0.0 110.686 -178.233 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -62.86 -37.56 87.34 Favored 'General case' 0 CA--C 1.497 -1.065 0 N-CA-C 106.92 -1.511 . . . . 0.0 106.92 175.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.482 ' OD1' ' OD2' ' A' ' 66' ' ' ASP . 18.5 t-20 -57.9 -39.74 78.64 Favored 'General case' 0 N--CA 1.429 -1.487 0 CA-C-N 111.567 -2.56 . . . . 0.0 111.28 178.552 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.487 ' H ' ' CG ' ' A' ' 62' ' ' ASP . . . 79.87 18.72 71.98 Favored Glycine 0 CA--C 1.529 0.959 0 C-N-CA 121.396 -0.43 . . . . 0.0 112.94 177.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.55 ' OD2' ' NZ ' ' A' ' 27' ' ' LYS . 54.9 p30 -89.47 2.3 54.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 117.536 0.668 . . . . 0.0 112.508 -179.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 87.14 -2.61 86.92 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.655 -0.978 . . . . 0.0 110.655 178.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.505 ' OE1' ' O ' ' A' ' 66' ' ' ASP . 58.6 mp0 -121.2 160.32 24.07 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 115.419 -0.39 . . . . 0.0 110.517 179.532 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.49 HG21 HD22 ' A' ' 33' ' ' LEU . 48.3 t -102.87 130.23 53.28 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.584 0 N-CA-C 106.832 -1.544 . . . . 0.0 106.832 176.273 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 49.0 t0 -100.6 160.94 13.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.127 0.489 . . . . 0.0 111.601 -177.604 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.511 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 1.0 OUTLIER -50.58 -44.11 56.7 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.264 -178.792 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.409 ' HG2' HG21 ' B' ' 83' ' ' VAL . 94.1 mt-30 -61.83 -40.47 95.41 Favored 'General case' 0 C--O 1.245 0.847 0 C-N-CA 119.733 -0.787 . . . . 0.0 110.834 178.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.482 ' O ' HG22 ' A' ' 76' ' ' VAL . 79.5 mt-10 -64.33 -42.69 96.16 Favored 'General case' 0 C--O 1.243 0.714 0 CA-C-O 122.374 1.083 . . . . 0.0 109.698 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -63.31 -40.82 98.4 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 114.299 -1.318 . . . . 0.0 110.106 178.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.619 HG13 ' HB1' ' B' ' 79' ' ' ALA . 0.5 OUTLIER -60.37 -47.83 90.81 Favored 'Isoleucine or valine' 0 C--O 1.248 1.012 0 CA-C-N 113.779 -1.555 . . . . 0.0 109.825 -178.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.482 HG22 ' O ' ' A' ' 73' ' ' GLU . 16.8 m -67.29 -34.97 72.43 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.572 0 C-N-CA 117.82 -1.552 . . . . 0.0 109.374 178.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.59 ' O ' HD13 ' A' ' 81' ' ' LEU . 32.5 tp -56.83 -51.35 69.32 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 118.832 -1.147 . . . . 0.0 111.913 178.251 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 34.3 m -68.4 -36.22 73.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 C-N-CA 118.659 -1.216 . . . . 0.0 111.662 -178.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.74 ' HB2' ' HB2' ' B' ' 79' ' ' ALA . . . -68.86 -49.03 61.8 Favored 'General case' 0 C--O 1.25 1.081 0 C-N-CA 119.002 -1.079 . . . . 0.0 112.064 -179.288 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.88 -39.47 94.54 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.59 HD13 ' O ' ' A' ' 77' ' ' LEU . 9.7 mp -65.16 -34.3 78.07 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 119.346 -0.941 . . . . 0.0 109.819 176.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 37.4 m -63.06 -49.94 72.56 Favored 'General case' 0 C--O 1.245 0.831 0 C-N-CA 119.765 -0.774 . . . . 0.0 111.194 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.418 HG21 ' HG2' ' B' ' 72' ' ' GLN . 13.2 p -63.99 -39.18 84.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 118.95 -1.1 . . . . 0.0 110.73 178.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.49 -30.45 71.22 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-O 121.18 0.514 . . . . 0.0 109.933 178.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 42.4 t -67.81 -54.37 19.66 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.384 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -55.89 -41.34 74.32 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 118.69 -1.204 . . . . 0.0 108.579 178.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.686 ' O ' ' HB2' ' A' ' 91' ' ' GLU . 87.3 m-20 -59.33 -40.65 87.01 Favored 'General case' 0 C--O 1.2 -1.534 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.547 178.027 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.557 ' O ' ' O ' ' A' ' 91' ' ' GLU . 68.3 t80 -63.58 -40.66 97.53 Favored 'General case' 0 C--N 1.302 -1.482 0 C-N-CA 118.172 -1.411 . . . . 0.0 110.71 179.005 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -64.8 -60.29 3.25 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 120.046 -0.662 . . . . 0.0 112.233 -178.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.594 ' CD2' ' OH ' ' B' ' 26' ' ' TYR . 19.8 t-105 -68.73 -44.27 74.19 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 121.734 0.778 . . . . 0.0 111.55 179.186 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.686 ' HB2' ' O ' ' A' ' 87' ' ' ASN . 60.6 mm-40 -97.54 147.04 24.67 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.361 -1.291 . . . . 0.0 111.541 -179.491 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -55.46 -37.29 67.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.573 179.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 88.5 p . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.501 179.977 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.648 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 35.1 m -62.71 154.83 28.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.697 0.284 . . . . 0.0 110.305 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -61.68 -37.54 84.47 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 120.682 -0.407 . . . . 0.0 111.892 -179.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.481 HD23 ' O ' ' B' ' 4' ' ' LEU . 5.7 tt -60.97 -41.29 96.11 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 -179.211 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.08 -37.54 87.85 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.213 178.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 43.6 m -59.26 -40.89 87.46 Favored 'General case' 0 CA--C 1.515 -0.383 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 178.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.55 -45.84 85.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.346 179.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 99.1 mtp -59.88 -41.12 90.87 Favored 'General case' 0 C--O 1.246 0.878 0 CA-C-O 121.579 0.704 . . . . 0.0 109.887 179.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.08 -36.43 84.29 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.834 177.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 47.5 m -63.17 -43.05 99.36 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 119.759 -0.776 . . . . 0.0 110.177 178.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 43.1 mt -61.86 -42.49 99.12 Favored 'General case' 0 C--O 1.241 0.62 0 C-N-CA 119.23 -0.988 . . . . 0.0 108.868 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.9 mt -61.83 -45.17 99.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.029 178.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -61.97 -40.64 96.31 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.964 0.727 . . . . 0.0 112.964 -179.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 17.2 m -74.56 -41.46 48.79 Favored 'Isoleucine or valine' 0 C--O 1.255 1.347 0 C-N-CA 119.147 -1.021 . . . . 0.0 111.278 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -60.57 -47.95 83.94 Favored 'General case' 0 CA--C 1.513 -0.468 0 C-N-CA 119.052 -1.059 . . . . 0.0 109.864 177.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -63.81 -34.91 78.96 Favored 'General case' 0 CA--C 1.501 -0.926 0 CA-C-N 115.254 -0.884 . . . . 0.0 109.987 178.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.536 ' O ' ' HB2' ' B' ' 21' ' ' LYS . . . -57.96 -51.57 69.1 Favored 'General case' 0 N--CA 1.435 -1.21 0 C-N-CA 118.643 -1.223 . . . . 0.0 109.404 -178.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.491 ' HB2' HD12 ' B' ' 36' ' ' LEU . 23.0 m-70 -79.18 -52.23 8.44 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 114.545 1.313 . . . . 0.0 114.545 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.452 ' OG ' ' O ' ' B' ' 25' ' ' LYS . 22.8 t -57.97 -40.96 81.92 Favored 'General case' 0 C--N 1.341 0.218 0 C-N-CA 118.852 -1.139 . . . . 0.0 108.939 -179.249 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.09 -44.11 68.64 Favored Glycine 0 C--N 1.343 0.931 0 CA-C-N 115.265 -0.879 . . . . 0.0 112.175 178.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.536 ' HB2' ' O ' ' B' ' 17' ' ' ALA . 6.0 ttpm? -59.43 -42.21 91.35 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 120.144 -0.622 . . . . 0.0 112.023 -179.256 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.586 ' OE1' ' NZ ' ' B' ' 31' ' ' LYS . 97.2 mt-10 -129.33 151.9 49.47 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 112.813 0.672 . . . . 0.0 112.813 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.23 -148.28 29.45 Favored Glycine 0 N--CA 1.465 0.568 0 CA-C-N 115.802 -0.636 . . . . 0.0 112.361 177.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -71.02 139.42 50.48 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 179.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.452 ' O ' ' OG ' ' B' ' 19' ' ' SER . 33.9 mtmt -61.52 -32.53 72.58 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 -178.161 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.594 ' OH ' ' CD2' ' A' ' 90' ' ' TRP . 96.3 m-85 -106.53 20.02 19.62 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 -177.534 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.45 ' NZ ' ' OD2' ' B' ' 66' ' ' ASP . 4.0 tptt -137.93 137.93 38.48 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 119.438 -0.905 . . . . 0.0 109.119 178.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 14.5 tp -112.18 128.48 56.24 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.161 -0.615 . . . . 0.0 109.368 -178.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 94.1 p -101.29 166.74 10.6 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.673 -0.239 . . . . 0.0 110.915 -179.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 24.6 ttpt -53.41 -48.44 68.71 Favored 'General case' 0 C--O 1.24 0.592 0 CA-C-O 121.096 0.474 . . . . 0.0 112.089 -177.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.601 ' HG3' ' N ' ' B' ' 32' ' ' GLU . 17.5 pttp -60.99 -48.52 81.45 Favored 'General case' 0 N--CA 1.441 -0.904 0 C-N-CA 119.943 -0.703 . . . . 0.0 110.063 -178.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.601 ' N ' ' HG3' ' B' ' 31' ' ' LYS . 95.0 mt-10 -63.03 -49.92 72.71 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.095 -0.642 . . . . 0.0 112.25 -178.39 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.472 HD22 HG21 ' B' ' 69' ' ' VAL . 1.2 pp -60.97 -35.71 77.5 Favored 'General case' 0 CA--C 1.499 -1.015 0 C-N-CA 118.71 -1.196 . . . . 0.0 109.908 -179.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.498 ' HG3' HE21 ' B' ' 38' ' ' GLN . 20.7 tptm -55.41 -37.06 67.13 Favored 'General case' 0 N--CA 1.432 -1.354 0 C-N-CA 118.189 -1.404 . . . . 0.0 108.364 178.425 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.784 ' O ' HG23 ' B' ' 39' ' ' THR . 96.5 mt-10 -75.96 -41.14 52.35 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 179.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.755 HD23 ' O ' ' B' ' 36' ' ' LEU . 2.7 tt -65.23 -45.49 84.45 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 120.466 -0.494 . . . . 0.0 111.599 -177.17 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.571 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 1.1 mm? -64.57 -42.65 95.52 Favored 'General case' 0 CA--C 1.521 -0.153 0 C-N-CA 118.504 -1.278 . . . . 0.0 111.304 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.498 HE21 ' HG3' ' B' ' 34' ' ' LYS . 49.0 mt-30 -64.66 -39.47 93.74 Favored 'General case' 0 C--O 1.231 0.108 0 C-N-CA 119.925 -0.71 . . . . 0.0 111.75 179.55 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.784 HG23 ' O ' ' B' ' 35' ' ' GLU . 67.2 p -70.33 -38.33 74.87 Favored 'General case' 0 C--N 1.333 -0.119 0 C-N-CA 120.102 -0.639 . . . . 0.0 111.57 -179.477 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -92.17 -53.1 4.38 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.538 ' O ' ' O ' ' B' ' 37' ' ' LEU . 30.5 mt -104.06 141.54 36.04 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 121.248 0.546 . . . . 0.0 111.116 -179.27 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.4 m -113.41 -68.06 0.95 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.598 179.094 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.44 -37.72 88.87 Favored Glycine 0 CA--C 1.531 1.05 0 CA-C-N 115.621 -0.718 . . . . 0.0 113.855 -178.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -60.19 -53.11 61.66 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 117.965 0.883 . . . . 0.0 112.14 -178.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -75.69 -40.18 56.28 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 120.381 -0.528 . . . . 0.0 111.331 178.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -60.43 -33.22 72.22 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.513 -179.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.24 -34.63 70.66 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -177.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.479 ' C ' ' H ' ' B' ' 50' ' ' ASP . 93.6 mm-40 -61.85 -34.31 75.75 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.105 -0.638 . . . . 0.0 109.7 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 79.5 tttt 67.59 -32.51 0.2 Allowed 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.28 -0.873 . . . . 0.0 112.091 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . 0.479 ' H ' ' C ' ' B' ' 48' ' ' GLN . 88.1 m-20 -70.55 142.78 51.76 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.417 -0.513 . . . . 0.0 111.32 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 4.7 m -72.81 -29.61 30.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.614 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -83.75 1.82 40.91 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.245 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.499 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -58.11 -38.23 76.07 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.773 -179.023 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.624 HG13 ' N ' ' B' ' 55' ' ' ASP . 7.1 p -59.71 -44.05 92.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 C-N-CA 119.692 -0.803 . . . . 0.0 110.1 179.227 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.624 ' N ' HG13 ' B' ' 54' ' ' VAL . 89.2 m-20 -62.81 -43.55 98.51 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.523 179.605 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 51.6 mttp -62.06 -40.27 95.2 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.926 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.499 HG23 ' O ' ' B' ' 53' ' ' ALA . 70.5 t -66.73 -46.5 85.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.071 -0.513 . . . . 0.0 112.325 -179.162 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -64.96 -34.36 78.24 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 -178.301 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 14.2 mtmt -58.99 -41.11 86.83 Favored 'General case' 0 CA--C 1.521 -0.148 0 C-N-CA 119.053 -1.059 . . . . 0.0 110.857 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -65.44 -39.62 92.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.241 0.543 . . . . 0.0 110.947 178.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 71.2 mt -67.72 -35.37 78.65 Favored 'General case' 0 CA--C 1.511 -0.526 0 CA-C-N 115.491 -0.777 . . . . 0.0 112.599 -178.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.486 ' CG ' ' H ' ' B' ' 65' ' ' GLY . 44.8 t0 -72.19 72.34 0.9 Allowed 'General case' 0 N--CA 1.444 -0.74 0 C-N-CA 118.452 -1.299 . . . . 0.0 110.697 -178.202 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -62.75 -37.54 87.0 Favored 'General case' 0 CA--C 1.497 -1.091 0 N-CA-C 106.943 -1.503 . . . . 0.0 106.943 175.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.479 ' OD1' ' CG ' ' B' ' 66' ' ' ASP . 18.5 t-20 -57.87 -39.75 78.56 Favored 'General case' 0 N--CA 1.431 -1.407 0 CA-C-N 111.554 -2.566 . . . . 0.0 111.257 178.524 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.486 ' H ' ' CG ' ' B' ' 62' ' ' ASP . . . 79.79 18.76 72.1 Favored Glycine 0 CA--C 1.53 1.028 0 C-N-CA 121.399 -0.429 . . . . 0.0 112.983 178.039 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.499 ' O ' ' OE1' ' B' ' 68' ' ' GLU . 54.7 p30 -89.51 2.36 54.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 117.486 0.643 . . . . 0.0 112.59 -179.638 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 87.2 -2.72 86.87 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.692 -0.963 . . . . 0.0 110.692 178.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.499 ' OE1' ' O ' ' B' ' 66' ' ' ASP . 58.5 mp0 -121.24 160.36 24.04 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-N 115.395 -0.403 . . . . 0.0 110.51 179.526 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.472 HG21 HD22 ' B' ' 33' ' ' LEU . 48.5 t -102.9 130.37 53.11 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 N-CA-C 106.831 -1.544 . . . . 0.0 106.831 176.303 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.531 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 48.3 t0 -100.38 160.9 13.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.146 0.498 . . . . 0.0 111.587 -177.57 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.531 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 1.0 OUTLIER -50.59 -44.14 56.82 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.17 -178.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.418 ' HG2' HG21 ' A' ' 83' ' ' VAL . 94.1 mt-30 -61.95 -40.34 95.21 Favored 'General case' 0 C--O 1.245 0.857 0 C-N-CA 119.835 -0.746 . . . . 0.0 110.797 178.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.478 ' O ' HG22 ' B' ' 76' ' ' VAL . 79.5 mt-10 -64.42 -42.71 95.91 Favored 'General case' 0 C--O 1.244 0.783 0 CA-C-O 122.441 1.115 . . . . 0.0 109.664 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -63.31 -40.86 98.5 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 114.372 -1.285 . . . . 0.0 110.143 178.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.62 HG13 ' HB1' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -60.3 -47.86 90.61 Favored 'Isoleucine or valine' 0 C--O 1.249 1.038 0 CA-C-N 113.736 -1.575 . . . . 0.0 109.874 -179.028 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.478 HG22 ' O ' ' B' ' 73' ' ' GLU . 16.8 m -67.24 -34.95 72.49 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.561 0 C-N-CA 117.818 -1.553 . . . . 0.0 109.389 178.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.597 ' O ' HD13 ' B' ' 81' ' ' LEU . 32.6 tp -56.87 -51.31 69.56 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 118.795 -1.162 . . . . 0.0 111.909 178.259 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 34.3 m -68.41 -36.22 73.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 118.69 -1.204 . . . . 0.0 111.665 -178.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.74 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . . . -68.85 -49.23 60.17 Favored 'General case' 0 C--O 1.251 1.152 0 C-N-CA 119.078 -1.049 . . . . 0.0 111.982 -179.272 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.68 -39.57 94.36 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.597 HD13 ' O ' ' B' ' 77' ' ' LEU . 9.6 mp -65.08 -34.5 78.57 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 119.363 -0.935 . . . . 0.0 109.742 176.717 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 37.3 m -62.94 -49.88 73.03 Favored 'General case' 0 C--O 1.244 0.808 0 C-N-CA 119.731 -0.788 . . . . 0.0 111.192 179.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.409 HG21 ' HG2' ' A' ' 72' ' ' GLN . 13.1 p -63.97 -39.3 84.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 119.038 -1.065 . . . . 0.0 110.641 178.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.41 -30.47 71.28 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 121.145 0.498 . . . . 0.0 109.901 178.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 42.4 t -67.77 -54.4 19.55 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-N 115.487 -0.778 . . . . 0.0 109.417 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -55.99 -41.33 74.65 Favored 'General case' 0 C--O 1.239 0.517 0 C-N-CA 118.69 -1.204 . . . . 0.0 108.583 178.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . 0.672 ' O ' ' HB2' ' B' ' 91' ' ' GLU . 87.2 m-20 -59.25 -40.78 87.08 Favored 'General case' 0 C--O 1.201 -1.484 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.505 177.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.552 ' O ' ' O ' ' B' ' 91' ' ' GLU . 68.3 t80 -63.58 -40.62 97.43 Favored 'General case' 0 C--N 1.302 -1.49 0 C-N-CA 118.203 -1.399 . . . . 0.0 110.694 179.05 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -64.81 -60.24 3.31 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 120.068 -0.653 . . . . 0.0 112.29 -178.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.591 ' CD2' ' OH ' ' A' ' 26' ' ' TYR . 19.8 t-105 -68.78 -44.28 73.97 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.641 0.734 . . . . 0.0 111.485 179.143 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.672 ' HB2' ' O ' ' B' ' 87' ' ' ASN . 61.0 mm-40 -97.41 146.95 24.7 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 114.49 -1.232 . . . . 0.0 111.547 -179.505 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -55.51 -37.28 67.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.546 179.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 88.2 p . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.488 -179.986 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 201' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.54 ' O ' ' OE1' ' B' ' 40' ' ' GLU . . . . . . . . 0 CA--C 1.525 0.685 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.7 m -83.3 10.03 9.48 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 122.769 -0.254 . . . . 0.0 110.891 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -60.24 -38.22 82.79 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 -178.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.503 HD23 ' O ' ' A' ' 4' ' ' LEU . 5.6 tt -61.97 -41.2 97.75 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 118.696 -1.202 . . . . 0.0 107.963 -179.317 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -65.32 -37.44 87.1 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.124 178.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.2 m -59.09 -41.0 87.04 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 179.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.74 -46.02 84.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.494 179.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 99.1 mtp -59.55 -41.42 90.06 Favored 'General case' 0 C--O 1.247 0.97 0 CA-C-O 121.78 0.8 . . . . 0.0 109.833 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.34 -35.45 81.03 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 115.327 -0.852 . . . . 0.0 110.132 177.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 53.1 m -64.29 -43.07 95.91 Favored 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 119.605 -0.838 . . . . 0.0 110.046 179.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 38.6 mt -61.85 -42.57 99.21 Favored 'General case' 0 C--O 1.239 0.515 0 C-N-CA 119.119 -1.033 . . . . 0.0 108.797 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.2 mt -61.68 -45.15 99.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 C-N-CA 119.732 -0.787 . . . . 0.0 111.176 178.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -62.05 -41.39 98.08 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 -179.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.8 m -73.65 -41.2 55.17 Favored 'Isoleucine or valine' 0 C--O 1.256 1.432 0 C-N-CA 119.128 -1.029 . . . . 0.0 110.938 -179.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -60.59 -47.43 86.23 Favored 'General case' 0 CA--C 1.513 -0.455 0 C-N-CA 119.388 -0.925 . . . . 0.0 109.767 177.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -63.52 -34.73 78.43 Favored 'General case' 0 CA--C 1.502 -0.894 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.839 177.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.554 ' O ' ' HB2' ' A' ' 21' ' ' LYS . . . -57.63 -51.85 67.84 Favored 'General case' 0 N--CA 1.436 -1.172 0 C-N-CA 118.746 -1.181 . . . . 0.0 109.333 -179.059 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.469 ' ND1' ' HG ' ' A' ' 36' ' ' LEU . 46.9 m80 -78.41 -52.89 7.89 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 114.772 1.397 . . . . 0.0 114.772 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.422 ' OG ' ' O ' ' A' ' 25' ' ' LYS . 24.7 t -58.04 -40.91 82.08 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 118.889 -1.124 . . . . 0.0 109.1 -179.153 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.13 -43.93 69.28 Favored Glycine 0 C--N 1.343 0.969 0 CA-C-N 115.316 -0.856 . . . . 0.0 112.12 178.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.554 ' HB2' ' O ' ' A' ' 17' ' ' ALA . 6.1 ttpm? -59.39 -42.27 91.33 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 120.112 -0.635 . . . . 0.0 111.814 -179.297 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.443 ' C ' ' OE2' ' A' ' 32' ' ' GLU . 76.9 mm-40 -129.94 151.4 50.54 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.2 -149.3 31.52 Favored Glycine 0 N--CA 1.464 0.558 0 CA-C-N 115.848 -0.615 . . . . 0.0 112.306 177.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -70.98 140.1 50.77 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 179.186 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.422 ' O ' ' OG ' ' A' ' 19' ' ' SER . 34.4 mtmt -61.73 -32.78 73.03 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 -177.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.599 ' OH ' ' CE3' ' B' ' 90' ' ' TRP . 93.7 m-85 -107.72 19.76 19.71 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 -177.153 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.403 ' CG ' ' OE2' ' A' ' 68' ' ' GLU . 34.0 tptt -139.92 143.95 36.88 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.459 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.5 tp -116.57 132.32 56.71 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 120.537 -0.465 . . . . 0.0 111.277 -175.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.9 t -99.71 158.59 15.67 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.566 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.9 ttpt -52.72 -45.75 67.08 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-O 121.267 0.556 . . . . 0.0 110.947 -177.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.59 ' HG3' ' N ' ' A' ' 32' ' ' GLU . 25.6 pttm -59.92 -48.02 83.39 Favored 'General case' 0 N--CA 1.437 -1.077 0 CA-C-N 115.564 -0.743 . . . . 0.0 109.675 -178.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.59 ' N ' ' HG3' ' A' ' 31' ' ' LYS . 95.2 mt-10 -63.31 -49.03 75.57 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 115.541 -0.754 . . . . 0.0 112.335 -178.489 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 pp -61.52 -34.65 75.89 Favored 'General case' 0 CA--C 1.501 -0.905 0 C-N-CA 118.577 -1.249 . . . . 0.0 109.963 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.561 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 0.3 OUTLIER -54.9 -37.38 66.25 Favored 'General case' 0 N--CA 1.436 -1.149 0 C-N-CA 118.058 -1.457 . . . . 0.0 108.004 178.046 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.863 ' O ' HG23 ' A' ' 39' ' ' THR . 97.4 mt-10 -74.88 -40.81 60.74 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 179.226 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.775 HD23 ' O ' ' A' ' 36' ' ' LEU . 3.6 tt -66.07 -46.14 78.81 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 119.754 -0.778 . . . . 0.0 111.813 -176.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.571 ' CD2' ' N ' ' A' ' 37' ' ' LEU . 1.3 mm? -64.0 -43.23 96.28 Favored 'General case' 0 CA--C 1.519 -0.235 0 C-N-CA 118.578 -1.249 . . . . 0.0 111.13 -179.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.561 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 27.1 mt-30 -64.36 -39.43 93.86 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.584 -0.446 . . . . 0.0 112.141 179.651 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.863 HG23 ' O ' ' A' ' 35' ' ' GLU . 64.0 p -70.61 -38.62 74.0 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.039 -0.664 . . . . 0.0 111.432 -179.649 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.53 ' OE1' ' O ' ' B' ' 1' ' ' GLY . 80.0 mm-40 -92.85 -53.03 4.33 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.535 0.568 . . . . 0.0 112.535 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.557 ' O ' ' O ' ' A' ' 37' ' ' LEU . 29.9 mt -103.83 142.37 34.5 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.292 0.568 . . . . 0.0 111.417 -178.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.518 ' OG ' ' N ' ' A' ' 43' ' ' GLY . 51.8 p -115.81 -66.54 1.07 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.616 178.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.518 ' N ' ' OG ' ' A' ' 42' ' ' SER . . . -58.48 -37.76 89.2 Favored Glycine 0 CA--C 1.531 1.036 0 CA-C-N 115.664 -0.698 . . . . 0.0 113.777 -178.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -60.34 -52.91 63.26 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 117.938 0.869 . . . . 0.0 112.248 -178.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -74.58 -39.11 62.44 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 120.398 -0.521 . . . . 0.0 111.406 178.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -60.41 -32.63 71.53 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.648 -0.705 . . . . 0.0 112.636 -178.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.66 -33.59 68.48 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -177.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -61.69 -36.55 81.21 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 119.824 -0.75 . . . . 0.0 109.495 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.533 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 68.8 mttm 61.29 36.95 17.49 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.144 -0.935 . . . . 0.0 112.396 179.063 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.533 ' OD1' ' O ' ' A' ' 49' ' ' LYS . 91.7 m-20 -142.22 148.43 38.14 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 120.995 -0.282 . . . . 0.0 110.374 178.165 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.6 m -74.07 -31.29 29.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.558 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -82.85 -2.77 55.64 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.91 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.588 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -58.71 -38.57 78.58 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.491 -0.484 . . . . 0.0 110.735 -178.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.602 HG13 ' N ' ' A' ' 55' ' ' ASP . 10.0 p -60.92 -43.89 96.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 C-N-CA 119.815 -0.754 . . . . 0.0 110.616 179.644 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.602 ' N ' HG13 ' A' ' 54' ' ' VAL . 56.6 t0 -63.13 -45.03 93.9 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 120.168 -0.613 . . . . 0.0 110.387 179.692 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -62.6 -39.47 93.85 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 120.361 -0.536 . . . . 0.0 111.143 179.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.588 HG23 ' O ' ' A' ' 53' ' ' ALA . 74.5 t -64.89 -45.31 95.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 C-N-CA 120.561 -0.456 . . . . 0.0 111.683 -179.55 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.538 ' CE ' ' O ' ' A' ' 67' ' ' GLY . 0.9 OUTLIER -65.58 -33.59 76.25 Favored 'General case' 0 C--O 1.236 0.394 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 -178.838 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.5 mtmt -59.18 -40.98 87.37 Favored 'General case' 0 CA--C 1.52 -0.176 0 C-N-CA 119.398 -0.921 . . . . 0.0 111.186 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -64.8 -39.16 93.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.203 0.525 . . . . 0.0 110.704 179.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 62.1 mt -67.82 -35.12 78.04 Favored 'General case' 0 CA--C 1.508 -0.645 0 CA-C-N 115.428 -0.805 . . . . 0.0 112.112 -179.056 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.574 ' OD2' ' N ' ' A' ' 66' ' ' ASP . 31.1 t0 -72.22 76.85 0.98 Allowed 'General case' 0 N--CA 1.443 -0.786 0 C-N-CA 118.605 -1.238 . . . . 0.0 111.231 -178.027 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -63.44 -37.07 85.88 Favored 'General case' 0 CA--C 1.5 -0.954 0 CA-C-O 123.105 1.431 . . . . 0.0 107.284 175.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.493 ' OD1' ' OD2' ' A' ' 66' ' ' ASP . 15.6 t-20 -57.33 -38.86 74.75 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-N 111.464 -2.607 . . . . 0.0 112.077 179.277 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.469 ' H ' ' CG ' ' A' ' 62' ' ' ASP . . . 86.9 13.06 67.41 Favored Glycine 0 CA--C 1.529 0.951 0 C-N-CA 121.042 -0.599 . . . . 0.0 112.51 178.545 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.574 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 54.1 p30 -89.38 6.35 41.03 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.119 0.415 . . . . 0.0 112.119 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.538 ' O ' ' CE ' ' A' ' 58' ' ' MET . . . 68.96 -1.93 9.47 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.432 -1.067 . . . . 0.0 110.432 179.616 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.425 ' H ' ' C ' ' A' ' 66' ' ' ASP . 83.8 tt0 -117.45 144.76 44.69 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 47.9 t -96.48 133.33 38.21 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.44 0 C-N-CA 120.145 -0.622 . . . . 0.0 110.912 -176.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.551 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 51.1 t0 -100.2 159.49 15.07 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.333 0.587 . . . . 0.0 111.651 -178.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.551 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 1.0 OUTLIER -50.67 -43.97 57.6 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.618 -178.504 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.416 ' HG2' HG21 ' B' ' 83' ' ' VAL . 94.1 mt-30 -61.71 -40.31 94.58 Favored 'General case' 0 C--O 1.245 0.83 0 C-N-CA 119.673 -0.811 . . . . 0.0 110.899 179.072 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.504 ' O ' HG22 ' A' ' 76' ' ' VAL . 86.3 mt-10 -64.27 -42.82 96.26 Favored 'General case' 0 C--O 1.245 0.822 0 CA-C-O 122.497 1.141 . . . . 0.0 109.584 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -63.04 -41.11 99.42 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-N 114.268 -1.333 . . . . 0.0 110.413 178.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.616 HG13 ' HB1' ' B' ' 79' ' ' ALA . 0.5 OUTLIER -60.23 -47.53 91.8 Favored 'Isoleucine or valine' 0 C--O 1.248 0.979 0 CA-C-N 113.706 -1.588 . . . . 0.0 109.784 -178.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.504 HG22 ' O ' ' A' ' 73' ' ' GLU . 17.4 m -67.06 -34.92 72.88 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.597 0 C-N-CA 117.705 -1.598 . . . . 0.0 109.218 178.563 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.561 ' O ' HD13 ' A' ' 81' ' ' LEU . 34.5 tp -56.5 -51.79 67.15 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 118.682 -1.207 . . . . 0.0 112.0 178.1 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 34.9 m -68.41 -36.2 73.89 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 C-N-CA 118.385 -1.326 . . . . 0.0 111.749 -178.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.726 ' HB2' ' HB2' ' B' ' 79' ' ' ALA . . . -68.57 -48.68 63.59 Favored 'General case' 0 C--O 1.249 1.039 0 C-N-CA 119.123 -1.031 . . . . 0.0 111.998 -179.315 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.99 -39.72 95.58 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.561 HD13 ' O ' ' A' ' 77' ' ' LEU . 9.6 mp -65.0 -34.93 79.62 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 119.304 -0.958 . . . . 0.0 109.961 176.61 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 37.0 m -62.92 -50.32 71.33 Favored 'General case' 0 C--O 1.246 0.911 0 C-N-CA 119.655 -0.818 . . . . 0.0 111.484 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.419 HG21 ' HG2' ' B' ' 72' ' ' GLN . 13.5 p -63.98 -38.67 83.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 C-N-CA 119.129 -1.028 . . . . 0.0 110.682 178.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.66 -30.6 71.33 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 121.052 0.453 . . . . 0.0 109.897 178.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 24.8 t -68.34 -54.8 14.92 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.685 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -56.19 -41.08 74.98 Favored 'General case' 0 C--O 1.243 0.712 0 C-N-CA 118.748 -1.181 . . . . 0.0 108.666 178.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.687 ' O ' ' HB2' ' A' ' 91' ' ' GLU . 87.4 m-20 -59.46 -40.64 87.54 Favored 'General case' 0 C--O 1.199 -1.569 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.307 177.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.56 ' O ' ' O ' ' A' ' 91' ' ' GLU . 68.2 t80 -63.43 -40.2 96.55 Favored 'General case' 0 C--N 1.3 -1.557 0 C-N-CA 118.103 -1.439 . . . . 0.0 110.374 178.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -64.05 -61.28 2.36 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 120.023 -0.671 . . . . 0.0 112.354 -178.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.604 ' CE3' ' OH ' ' B' ' 26' ' ' TYR . 21.2 t-105 -69.23 -43.39 74.15 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 119.76 -0.776 . . . . 0.0 111.701 179.076 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.687 ' HB2' ' O ' ' A' ' 87' ' ' ASN . 93.8 mt-10 -97.72 148.14 23.65 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.391 -1.277 . . . . 0.0 111.692 -179.548 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -103.76 137.9 41.14 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.593 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 29.2 t . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 118.012 -0.994 . . . . 0.0 110.562 -179.961 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . 0.53 ' O ' ' OE1' ' A' ' 40' ' ' GLU . . . . . . . . 0 CA--C 1.525 0.708 0 N-CA-C 110.944 -0.863 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 75.3 m -83.4 10.12 9.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 122.751 -0.264 . . . . 0.0 110.83 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -60.32 -38.23 83.06 Favored 'General case' 0 C--O 1.237 0.397 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -178.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.499 HD23 ' O ' ' B' ' 4' ' ' LEU . 5.6 tt -61.93 -41.24 97.73 Favored 'General case' 0 C--O 1.238 0.48 0 C-N-CA 118.722 -1.191 . . . . 0.0 107.971 -179.372 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -65.26 -37.48 87.35 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.096 178.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 45.7 m -59.07 -40.87 86.52 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 179.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.9 -46.02 83.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.391 179.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 99.1 mtp -59.65 -41.45 90.6 Favored 'General case' 0 C--O 1.249 1.056 0 CA-C-O 121.651 0.739 . . . . 0.0 109.75 179.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.13 -36.28 83.77 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.122 177.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 51.2 m -63.35 -43.36 97.93 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 119.712 -0.795 . . . . 0.0 110.254 179.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 44.7 mt -61.86 -42.49 99.11 Favored 'General case' 0 C--O 1.238 0.495 0 C-N-CA 119.185 -1.006 . . . . 0.0 108.773 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.2 mt -61.65 -45.18 99.21 Favored 'Isoleucine or valine' 0 C--O 1.232 0.163 0 CA-C-N 115.432 -0.803 . . . . 0.0 111.162 178.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -62.2 -41.36 98.28 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 -178.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 15.8 m -73.63 -41.21 55.31 Favored 'Isoleucine or valine' 0 C--O 1.256 1.399 0 C-N-CA 119.15 -1.02 . . . . 0.0 110.914 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -60.59 -47.37 86.51 Favored 'General case' 0 CA--C 1.513 -0.48 0 C-N-CA 119.416 -0.913 . . . . 0.0 109.77 177.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -63.59 -34.75 78.51 Favored 'General case' 0 CA--C 1.502 -0.9 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.8 177.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.546 ' O ' ' HB2' ' B' ' 21' ' ' LYS . . . -57.68 -51.73 68.34 Favored 'General case' 0 N--CA 1.435 -1.183 0 C-N-CA 118.746 -1.182 . . . . 0.0 109.356 -179.059 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.484 ' HB2' HD12 ' B' ' 36' ' ' LEU . 46.9 m80 -78.46 -52.93 7.82 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.417 ' OG ' ' O ' ' B' ' 25' ' ' LYS . 24.7 t -58.08 -40.98 82.46 Favored 'General case' 0 C--O 1.232 0.172 0 C-N-CA 118.989 -1.085 . . . . 0.0 109.083 -179.152 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.01 -44.06 69.42 Favored Glycine 0 C--N 1.342 0.909 0 O-C-N 124.093 0.871 . . . . 0.0 112.104 178.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.546 ' HB2' ' O ' ' B' ' 17' ' ' ALA . 6.1 ttpm? -59.32 -42.32 91.14 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.145 -0.622 . . . . 0.0 111.858 -179.286 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.441 ' C ' ' OE2' ' B' ' 32' ' ' GLU . 76.9 mm-40 -129.91 151.45 50.45 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 179.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.15 -149.22 31.5 Favored Glycine 0 CA--C 1.524 0.608 0 CA-C-N 115.835 -0.621 . . . . 0.0 112.338 177.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -70.94 140.12 50.85 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 179.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.417 ' O ' ' OG ' ' B' ' 19' ' ' SER . 34.4 mtmt -61.8 -32.82 73.15 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 -177.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.604 ' OH ' ' CE3' ' A' ' 90' ' ' TRP . 93.8 m-85 -107.62 19.69 19.84 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 113.067 0.766 . . . . 0.0 113.067 -177.12 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.425 ' HG2' ' CD ' ' B' ' 68' ' ' GLU . 34.8 tptt -139.82 144.04 37.12 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 179.497 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 14.5 tp -116.66 132.33 56.72 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 120.519 -0.472 . . . . 0.0 111.276 -175.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 33.0 t -99.69 158.65 15.63 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.527 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 19.9 ttpt -52.78 -45.74 67.29 Favored 'General case' 0 C--O 1.24 0.572 0 CA-C-O 121.212 0.53 . . . . 0.0 110.992 -177.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.609 ' HG3' ' N ' ' B' ' 32' ' ' GLU . 25.6 pttm -59.9 -48.1 83.05 Favored 'General case' 0 N--CA 1.438 -1.049 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.593 -178.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.609 ' N ' ' HG3' ' B' ' 31' ' ' LYS . 95.1 mt-10 -63.19 -49.15 75.4 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.317 -178.459 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 pp -61.42 -34.63 75.71 Favored 'General case' 0 CA--C 1.501 -0.926 0 C-N-CA 118.537 -1.265 . . . . 0.0 110.03 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.557 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 0.3 OUTLIER -54.94 -37.4 66.37 Favored 'General case' 0 N--CA 1.437 -1.111 0 C-N-CA 118.048 -1.461 . . . . 0.0 107.995 178.042 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.875 ' O ' HG23 ' B' ' 39' ' ' THR . 97.4 mt-10 -74.84 -40.88 60.79 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 179.218 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.759 HD23 ' O ' ' B' ' 36' ' ' LEU . 3.6 tt -66.08 -46.09 78.95 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 119.723 -0.791 . . . . 0.0 111.833 -176.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.574 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 1.2 mm? -64.09 -43.19 96.13 Favored 'General case' 0 CA--C 1.52 -0.195 0 C-N-CA 118.623 -1.231 . . . . 0.0 111.056 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.557 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 27.1 mt-30 -64.44 -39.44 93.82 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.538 -0.465 . . . . 0.0 112.134 179.663 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.875 HG23 ' O ' ' B' ' 35' ' ' GLU . 64.4 p -70.51 -38.63 74.31 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 120.082 -0.647 . . . . 0.0 111.385 -179.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.54 ' OE1' ' O ' ' A' ' 1' ' ' GLY . 80.1 mm-40 -92.84 -53.01 4.34 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.538 0.569 . . . . 0.0 112.538 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.556 ' O ' ' O ' ' B' ' 37' ' ' LEU . 29.9 mt -103.86 142.36 34.53 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 121.181 0.515 . . . . 0.0 111.443 -178.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.521 ' OG ' ' N ' ' B' ' 43' ' ' GLY . 51.8 p -115.89 -66.48 1.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.603 178.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . 0.521 ' N ' ' OG ' ' B' ' 42' ' ' SER . . . -58.54 -37.81 89.66 Favored Glycine 0 CA--C 1.531 1.04 0 CA-C-N 115.733 -0.667 . . . . 0.0 113.639 -178.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -60.35 -52.85 63.48 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 118.007 0.904 . . . . 0.0 112.285 -178.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -74.5 -39.14 62.6 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.12 0.486 . . . . 0.0 111.393 178.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -60.42 -32.65 71.56 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.646 -178.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.66 -33.57 68.45 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -177.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 94.0 mm-40 -61.73 -36.59 81.4 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 119.768 -0.773 . . . . 0.0 109.376 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.536 ' O ' ' OD1' ' B' ' 50' ' ' ASP . 68.8 mttm 61.27 36.98 17.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.2 -0.909 . . . . 0.0 112.414 179.092 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . 0.536 ' OD1' ' O ' ' B' ' 49' ' ' LYS . 92.0 m-20 -142.22 148.45 38.16 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 120.974 -0.291 . . . . 0.0 110.32 178.142 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 5.6 m -74.12 -31.18 28.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.564 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -82.85 -2.74 55.57 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.913 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.587 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -58.63 -38.62 78.47 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.466 -0.494 . . . . 0.0 110.786 -179.001 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.608 HG13 ' N ' ' B' ' 55' ' ' ASP . 9.9 p -60.88 -43.96 96.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 C-N-CA 119.779 -0.769 . . . . 0.0 110.622 179.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.608 ' N ' HG13 ' B' ' 54' ' ' VAL . 56.5 t0 -63.05 -45.12 93.73 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 120.264 -0.574 . . . . 0.0 110.401 179.647 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -62.53 -39.52 93.84 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 120.489 -0.484 . . . . 0.0 111.148 179.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.587 HG23 ' O ' ' B' ' 53' ' ' ALA . 74.7 t -64.86 -45.3 95.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 C-N-CA 120.519 -0.473 . . . . 0.0 111.671 -179.559 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.535 ' CE ' ' O ' ' B' ' 67' ' ' GLY . 0.9 OUTLIER -65.55 -33.76 76.67 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 113.526 0.936 . . . . 0.0 113.526 -178.792 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 12.5 mtmt -59.2 -40.93 87.3 Favored 'General case' 0 CA--C 1.522 -0.117 0 C-N-CA 119.39 -0.924 . . . . 0.0 111.116 -179.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -64.85 -39.15 93.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.192 0.52 . . . . 0.0 110.667 179.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 61.8 mt -67.81 -35.18 78.16 Favored 'General case' 0 CA--C 1.508 -0.649 0 CA-C-N 115.386 -0.825 . . . . 0.0 112.093 -179.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.579 ' OD2' ' N ' ' B' ' 66' ' ' ASP . 31.4 t0 -72.18 76.7 0.97 Allowed 'General case' 0 N--CA 1.443 -0.813 0 C-N-CA 118.724 -1.191 . . . . 0.0 111.236 -177.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -63.28 -37.17 86.19 Favored 'General case' 0 CA--C 1.5 -0.946 0 CA-C-O 123.219 1.485 . . . . 0.0 107.335 175.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.501 ' OD1' ' OD2' ' B' ' 66' ' ' ASP . 15.6 t-20 -57.28 -38.8 74.48 Favored 'General case' 0 C--N 1.304 -1.379 0 CA-C-N 111.393 -2.639 . . . . 0.0 112.101 179.204 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.467 ' H ' ' CG ' ' B' ' 62' ' ' ASP . . . 86.8 13.1 67.61 Favored Glycine 0 CA--C 1.529 0.943 0 C-N-CA 121.045 -0.598 . . . . 0.0 112.512 178.556 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.579 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 54.2 p30 -89.38 6.35 41.01 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -179.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.535 ' O ' ' CE ' ' B' ' 58' ' ' MET . . . 69.0 -1.98 9.48 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.337 -1.105 . . . . 0.0 110.337 179.624 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.434 ' H ' ' C ' ' B' ' 66' ' ' ASP . 83.8 tt0 -117.45 144.86 44.59 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 47.9 t -96.61 133.29 38.54 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.492 0 C-N-CA 120.162 -0.615 . . . . 0.0 110.866 -176.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.553 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 50.4 t0 -99.86 159.46 15.06 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.361 0.6 . . . . 0.0 111.617 -178.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.553 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 1.0 OUTLIER -50.76 -44.01 58.47 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.693 -178.746 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.419 ' HG2' HG21 ' A' ' 83' ' ' VAL . 94.1 mt-30 -61.6 -40.34 94.43 Favored 'General case' 0 C--O 1.247 0.949 0 C-N-CA 119.666 -0.813 . . . . 0.0 110.911 178.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.492 ' O ' HG22 ' B' ' 76' ' ' VAL . 86.4 mt-10 -64.29 -42.8 96.21 Favored 'General case' 0 C--O 1.244 0.78 0 CA-C-O 122.509 1.147 . . . . 0.0 109.532 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -63.05 -41.11 99.4 Favored 'General case' 0 C--O 1.24 0.598 0 CA-C-N 114.288 -1.324 . . . . 0.0 110.4 178.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.623 HG13 ' HB1' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -60.36 -47.45 92.38 Favored 'Isoleucine or valine' 0 C--O 1.248 1.01 0 CA-C-N 113.701 -1.59 . . . . 0.0 109.751 -178.869 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.492 HG22 ' O ' ' B' ' 73' ' ' GLU . 17.2 m -67.04 -34.89 72.75 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.644 0 C-N-CA 117.713 -1.595 . . . . 0.0 109.31 178.463 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.559 ' O ' HD13 ' B' ' 81' ' ' LEU . 33.9 tp -56.56 -51.71 67.53 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 118.732 -1.187 . . . . 0.0 112.055 178.085 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 34.8 m -68.37 -36.23 74.09 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 C-N-CA 118.465 -1.294 . . . . 0.0 111.799 -178.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.726 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . . . -68.63 -48.67 63.47 Favored 'General case' 0 C--O 1.249 1.055 0 C-N-CA 119.056 -1.058 . . . . 0.0 112.004 -179.342 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.89 -39.79 95.56 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.559 HD13 ' O ' ' B' ' 77' ' ' LEU . 9.5 mp -64.95 -35.08 80.01 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 119.217 -0.993 . . . . 0.0 109.927 176.628 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 36.5 m -62.72 -50.41 71.23 Favored 'General case' 0 C--O 1.247 0.947 0 C-N-CA 119.749 -0.78 . . . . 0.0 111.409 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.416 HG21 ' HG2' ' A' ' 72' ' ' GLN . 13.3 p -63.88 -38.82 83.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 119.112 -1.035 . . . . 0.0 110.672 178.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.59 -30.51 71.24 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-O 121.138 0.494 . . . . 0.0 109.995 178.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 25.0 t -68.41 -54.91 13.98 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.517 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -56.12 -41.13 74.81 Favored 'General case' 0 C--O 1.242 0.694 0 C-N-CA 118.792 -1.163 . . . . 0.0 108.688 179.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . 0.667 ' O ' ' HB2' ' B' ' 91' ' ' GLU . 87.3 m-20 -59.35 -40.7 87.25 Favored 'General case' 0 C--O 1.199 -1.559 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.427 177.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.558 ' O ' ' O ' ' B' ' 91' ' ' GLU . 68.6 t80 -63.48 -39.98 95.89 Favored 'General case' 0 C--N 1.301 -1.514 0 C-N-CA 118.1 -1.44 . . . . 0.0 110.452 178.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -64.26 -61.2 2.4 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 120.033 -0.667 . . . . 0.0 112.328 -178.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.599 ' CE3' ' OH ' ' A' ' 26' ' ' TYR . 21.4 t-105 -69.26 -43.45 73.9 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 119.793 -0.763 . . . . 0.0 111.623 179.064 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.667 ' HB2' ' O ' ' B' ' 87' ' ' ASN . 93.9 mt-10 -97.64 148.07 23.68 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 114.391 -1.277 . . . . 0.0 111.713 -179.539 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -103.82 137.84 41.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.562 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 29.3 t . . . . . 0 C--O 1.221 -0.407 0 CA-C-O 117.976 -1.012 . . . . 0.0 110.642 -179.988 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 201' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.747 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.6 p -69.6 162.95 26.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.757 0.313 . . . . 0.0 110.398 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -61.03 -36.42 79.5 Favored 'General case' 0 C--O 1.238 0.46 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -179.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.456 HD23 ' O ' ' A' ' 4' ' ' LEU . 5.6 tt -59.65 -41.87 91.53 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 119.032 -1.067 . . . . 0.0 108.172 -178.505 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.602 ' OE2' HD22 ' B' ' 41' ' ' LEU . 71.5 mm-40 -65.84 -36.31 83.11 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.786 177.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 42.6 m -58.74 -41.29 86.12 Favored 'General case' 0 C--O 1.238 0.46 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 178.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.72 -46.08 83.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.724 179.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 99.4 mtp -59.45 -41.3 89.34 Favored 'General case' 0 C--O 1.247 0.957 0 CA-C-O 121.732 0.777 . . . . 0.0 109.608 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.21 -35.77 82.08 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.987 177.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 53.6 m -63.46 -43.12 98.27 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 119.494 -0.882 . . . . 0.0 109.92 179.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 36.9 mt -61.58 -42.49 98.92 Favored 'General case' 0 C--O 1.241 0.653 0 C-N-CA 119.16 -1.016 . . . . 0.0 108.703 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.543 HG23 ' ND2' ' B' ' 86' ' ' ASN . 97.9 mt -61.2 -45.25 98.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.035 178.458 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -62.13 -40.9 97.46 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -179.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.9 m -74.41 -41.44 49.81 Favored 'Isoleucine or valine' 0 C--O 1.256 1.441 0 C-N-CA 119.165 -1.014 . . . . 0.0 111.238 -179.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -60.37 -47.8 84.49 Favored 'General case' 0 CA--C 1.512 -0.494 0 C-N-CA 119.105 -1.038 . . . . 0.0 109.701 177.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -63.9 -34.66 78.46 Favored 'General case' 0 CA--C 1.5 -0.955 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.942 177.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.532 ' O ' ' HB2' ' A' ' 21' ' ' LYS . . . -57.99 -51.78 68.22 Favored 'General case' 0 N--CA 1.434 -1.234 0 C-N-CA 118.532 -1.267 . . . . 0.0 109.513 -178.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.467 ' CD2' ' HG ' ' A' ' 36' ' ' LEU . 25.4 m-70 -79.07 -53.37 7.07 Favored 'General case' 0 C--O 1.242 0.7 0 N-CA-C 114.658 1.355 . . . . 0.0 114.658 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.469 ' OG ' ' O ' ' A' ' 25' ' ' LYS . 25.7 t -57.67 -40.07 78.52 Favored 'General case' 0 CA--C 1.519 -0.222 0 C-N-CA 118.738 -1.185 . . . . 0.0 108.574 -179.478 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.13 -43.68 89.37 Favored Glycine 0 C--N 1.341 0.838 0 CA-C-N 115.197 -0.911 . . . . 0.0 111.544 178.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.532 ' HB2' ' O ' ' A' ' 17' ' ' ALA . 5.9 ttpm? -59.52 -42.19 91.67 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.219 -0.592 . . . . 0.0 112.377 -178.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -128.8 148.97 50.91 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 114.028 1.122 . . . . 0.0 114.028 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.17 -133.8 50.8 Favored Glycine 0 N--CA 1.465 0.609 0 CA-C-N 115.062 -0.972 . . . . 0.0 113.312 176.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -79.51 127.93 32.74 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 114.726 -0.737 . . . . 0.0 109.8 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.469 ' O ' ' OG ' ' A' ' 19' ' ' SER . 33.2 mtmt -57.79 -31.94 67.05 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.229 -0.896 . . . . 0.0 112.933 -177.139 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.595 ' OH ' ' CE3' ' B' ' 90' ' ' TRP . 98.8 m-85 -106.3 19.85 19.87 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -177.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.437 ' CG ' ' OE2' ' A' ' 68' ' ' GLU . 16.8 tptm -139.99 143.27 36.39 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.287 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.1 tp -116.31 130.46 56.79 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.905 -176.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 35.1 t -102.14 162.34 12.99 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 -179.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.7 ttpt -52.1 -46.31 65.2 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-O 121.161 0.505 . . . . 0.0 111.204 -178.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.601 ' HG3' ' N ' ' A' ' 32' ' ' GLU . 54.3 pttt -60.4 -48.6 81.03 Favored 'General case' 0 N--CA 1.437 -1.08 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.004 -178.673 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.601 ' N ' ' HG3' ' A' ' 31' ' ' LYS . 93.7 mt-10 -64.13 -52.13 60.61 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.3 -178.122 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.0 pp -60.38 -36.38 77.92 Favored 'General case' 0 CA--C 1.499 -1.008 0 C-N-CA 119.29 -0.964 . . . . 0.0 110.731 -179.076 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.8 tptm -55.79 -36.45 67.4 Favored 'General case' 0 N--CA 1.432 -1.351 0 C-N-CA 117.759 -1.576 . . . . 0.0 107.97 178.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.754 ' O ' HG23 ' A' ' 39' ' ' THR . 96.8 mt-10 -75.14 -40.61 59.57 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 179.381 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.747 HD23 ' O ' ' A' ' 36' ' ' LEU . 3.0 tt -65.51 -46.04 81.21 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 120.322 -0.551 . . . . 0.0 111.458 -177.309 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.582 ' O ' ' N ' ' A' ' 41' ' ' LEU . 1.1 mm? -64.44 -41.94 96.27 Favored 'General case' 0 CA--C 1.519 -0.221 0 C-N-CA 118.858 -1.137 . . . . 0.0 110.84 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -64.01 -39.78 94.87 Favored 'General case' 0 C--O 1.231 0.129 0 C-N-CA 120.358 -0.537 . . . . 0.0 111.948 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.754 HG23 ' O ' ' A' ' 35' ' ' GLU . 71.6 p -71.1 -38.5 72.36 Favored 'General case' 0 C--N 1.334 -0.101 0 C-N-CA 119.999 -0.68 . . . . 0.0 111.536 -179.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -91.09 -50.77 5.67 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.603 HD22 ' OE2' ' B' ' 5' ' ' GLU . 29.5 mt -107.42 143.12 36.21 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 121.245 0.545 . . . . 0.0 111.57 -179.152 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.1 -66.51 1.08 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.229 178.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.29 -37.87 92.5 Favored Glycine 0 CA--C 1.533 1.186 0 CA-C-N 115.663 -0.699 . . . . 0.0 113.834 -179.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -60.05 -52.62 64.57 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 118.071 0.935 . . . . 0.0 112.203 -177.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -74.23 -40.89 62.11 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 120.281 -0.567 . . . . 0.0 111.151 178.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -61.28 -33.58 73.8 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.611 -0.722 . . . . 0.0 112.071 -179.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.63 -32.85 69.43 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -177.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 94.7 mm-40 -60.72 -33.77 73.4 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.138 -0.625 . . . . 0.0 109.864 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.5 tttp 71.09 -35.8 0.34 Allowed 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.488 -0.778 . . . . 0.0 112.23 179.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -70.15 142.59 52.49 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.305 -0.558 . . . . 0.0 111.231 -179.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.8 m -72.72 -30.05 32.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.801 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -86.63 5.3 36.54 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.254 0.55 . . . . 0.0 110.081 179.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.618 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -56.62 -38.77 72.54 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.852 -178.656 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.58 HG13 ' N ' ' A' ' 55' ' ' ASP . 7.0 p -60.3 -43.74 94.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.671 0 C-N-CA 119.788 -0.765 . . . . 0.0 110.168 179.223 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.58 ' N ' HG13 ' A' ' 54' ' ' VAL . 91.7 m-20 -61.49 -43.24 99.22 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.059 179.365 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -62.67 -37.52 86.76 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.112 -0.635 . . . . 0.0 109.816 178.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 53' ' ' ALA . 68.0 t -64.21 -45.72 95.49 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 CA-C-N 115.699 -0.682 . . . . 0.0 112.733 -178.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.505 ' CE ' ' O ' ' A' ' 67' ' ' GLY . 2.2 ptp -66.66 -33.62 76.06 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 118.818 -1.153 . . . . 0.0 113.113 -178.722 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 35.8 mmtt -59.25 -42.02 90.17 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 119.363 -0.935 . . . . 0.0 112.069 -178.139 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -66.2 -41.44 90.19 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.095 -0.642 . . . . 0.0 110.896 179.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.436 ' O ' ' CD ' ' A' ' 73' ' ' GLU . 78.5 mt -68.81 -32.11 71.58 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.82 -1.082 . . . . 0.0 112.741 -179.377 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.611 ' OD2' ' N ' ' A' ' 66' ' ' ASP . 50.7 t0 -74.3 94.13 2.47 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 -175.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 -65.68 -46.85 77.54 Favored 'General case' 0 CA--C 1.509 -0.632 0 CA-C-O 122.613 1.197 . . . . 0.0 110.622 175.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 31.5 m120 -59.57 -35.27 73.94 Favored 'General case' 0 C--N 1.304 -1.41 0 CA-C-N 112.493 -2.14 . . . . 0.0 112.183 -178.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.505 ' H ' ' CG ' ' A' ' 62' ' ' ASP . . . 86.1 14.91 65.85 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 108.988 -1.645 . . . . 0.0 108.988 -177.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.611 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 27.0 p-10 -87.6 6.46 34.42 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 115.085 -0.558 . . . . 0.0 112.279 -179.017 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.564 ' N ' ' OD2' ' A' ' 62' ' ' ASP . . . 64.76 -2.53 2.55 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.198 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.465 ' H ' ' C ' ' A' ' 66' ' ' ASP . 82.5 tt0 -112.8 144.22 42.72 Favored 'General case' 0 C--O 1.241 0.62 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 45.7 t -102.35 132.92 47.39 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.656 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.279 -176.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.492 ' C ' ' OD1' ' A' ' 70' ' ' ASP . 39.6 p30 -100.16 171.6 7.7 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.215 0.531 . . . . 0.0 110.352 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -54.51 -45.45 73.3 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.765 -178.477 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -61.87 -41.15 97.51 Favored 'General case' 0 C--O 1.243 0.76 0 C-N-CA 120.054 -0.659 . . . . 0.0 112.163 -179.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.447 ' O ' HG22 ' A' ' 76' ' ' VAL . 96.7 mt-10 -64.82 -41.61 95.63 Favored 'General case' 0 C--O 1.243 0.712 0 CA-C-O 122.139 0.971 . . . . 0.0 109.877 179.175 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 68.8 t80 -63.37 -41.36 98.8 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-N 114.933 -1.031 . . . . 0.0 110.241 178.076 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.622 HG13 ' HB1' ' B' ' 79' ' ' ALA . 0.5 OUTLIER -60.16 -47.64 91.24 Favored 'Isoleucine or valine' 0 C--O 1.248 1.003 0 CA-C-N 113.86 -1.518 . . . . 0.0 110.064 -179.013 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.447 HG22 ' O ' ' A' ' 73' ' ' GLU . 13.5 m -67.59 -34.54 68.83 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.495 0 C-N-CA 117.804 -1.559 . . . . 0.0 109.279 178.71 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.56 ' O ' HD13 ' A' ' 81' ' ' LEU . 32.7 tp -56.64 -50.77 71.08 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 118.676 -1.21 . . . . 0.0 111.666 178.116 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 35.2 m -68.44 -36.66 75.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 118.403 -1.319 . . . . 0.0 111.7 -179.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.712 ' HB2' ' HB2' ' B' ' 79' ' ' ALA . . . -68.41 -48.2 65.27 Favored 'General case' 0 C--O 1.252 1.218 0 C-N-CA 119.146 -1.022 . . . . 0.0 112.007 -179.453 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.78 -39.84 95.48 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.09 179.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.56 HD13 ' O ' ' A' ' 77' ' ' LEU . 9.3 mp -65.3 -35.22 80.33 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 119.302 -0.959 . . . . 0.0 109.965 176.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 35.8 m -62.29 -50.63 70.92 Favored 'General case' 0 C--O 1.249 1.072 0 C-N-CA 119.692 -0.803 . . . . 0.0 111.393 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.8 p -63.59 -38.25 81.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 119.175 -1.01 . . . . 0.0 110.548 178.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.45 -31.44 72.53 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.236 178.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 4.8 t -69.87 -55.09 10.67 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.881 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.533 ' ND2' HG23 ' B' ' 12' ' ' ILE . 53.8 t-20 -56.8 -40.93 76.83 Favored 'General case' 0 C--O 1.243 0.713 0 C-N-CA 118.029 -1.468 . . . . 0.0 108.969 179.309 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.599 ' ND2' ' OE1' ' A' ' 91' ' ' GLU . 8.4 t-20 -60.49 -37.73 82.0 Favored 'General case' 0 C--O 1.201 -1.493 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 178.25 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.519 ' O ' ' O ' ' A' ' 91' ' ' GLU . 67.7 t80 -60.33 -41.59 93.86 Favored 'General case' 0 C--N 1.313 -0.997 0 C-N-CA 118.712 -1.195 . . . . 0.0 109.432 179.53 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -65.88 -59.7 3.6 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 112.943 0.72 . . . . 0.0 112.943 -179.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.597 ' CE3' ' OH ' ' B' ' 26' ' ' TYR . 20.4 t-105 -69.35 -46.26 67.44 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-O 121.885 0.85 . . . . 0.0 111.63 179.599 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.599 ' OE1' ' ND2' ' A' ' 87' ' ' ASN . 36.4 mt-10 -95.05 145.64 24.83 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 114.129 -1.396 . . . . 0.0 111.033 179.396 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -102.07 121.8 42.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.553 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 47.6 t . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.572 179.924 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.699 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 52.8 p -69.7 163.04 26.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.72 0.295 . . . . 0.0 110.407 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -61.15 -36.4 79.69 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -179.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.458 HD23 ' O ' ' B' ' 4' ' ' LEU . 5.6 tt -59.58 -41.99 91.47 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 119.054 -1.058 . . . . 0.0 108.147 -178.522 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.603 ' OE2' HD22 ' A' ' 41' ' ' LEU . 71.5 mm-40 -65.76 -36.38 83.39 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.786 177.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 44.9 m -58.75 -41.04 85.57 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 178.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.03 -45.96 83.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.64 179.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 99.3 mtp -59.53 -41.29 89.67 Favored 'General case' 0 C--O 1.247 0.955 0 CA-C-O 121.664 0.745 . . . . 0.0 109.639 179.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.2 -36.46 84.25 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.918 177.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 52.5 m -62.69 -43.36 99.02 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 119.487 -0.885 . . . . 0.0 110.088 179.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 42.7 mt -61.62 -42.39 98.81 Favored 'General case' 0 C--O 1.241 0.654 0 C-N-CA 119.172 -1.011 . . . . 0.0 108.64 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.533 HG23 ' ND2' ' A' ' 86' ' ' ASN . 98.0 mt -61.15 -45.26 98.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.026 178.442 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -62.16 -40.87 97.43 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 -178.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 15.8 m -74.37 -41.43 50.12 Favored 'Isoleucine or valine' 0 C--O 1.255 1.368 0 C-N-CA 119.189 -1.004 . . . . 0.0 111.27 -179.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -60.39 -47.84 84.31 Favored 'General case' 0 CA--C 1.511 -0.535 0 C-N-CA 119.066 -1.054 . . . . 0.0 109.682 177.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -63.75 -34.72 78.51 Favored 'General case' 0 CA--C 1.501 -0.931 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.972 177.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.537 ' O ' ' HB2' ' B' ' 21' ' ' LYS . . . -58.03 -51.69 68.63 Favored 'General case' 0 N--CA 1.434 -1.262 0 C-N-CA 118.42 -1.312 . . . . 0.0 109.577 -178.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.485 ' CD2' ' HG ' ' B' ' 36' ' ' LEU . 25.2 m-70 -79.02 -53.42 7.04 Favored 'General case' 0 C--O 1.241 0.623 0 N-CA-C 114.606 1.336 . . . . 0.0 114.606 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.462 ' OG ' ' O ' ' B' ' 25' ' ' LYS . 26.0 t -57.82 -39.99 78.91 Favored 'General case' 0 C--O 1.232 0.182 0 C-N-CA 118.713 -1.195 . . . . 0.0 108.535 -179.395 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.25 -43.55 88.61 Favored Glycine 0 C--N 1.341 0.807 0 CA-C-N 115.23 -0.895 . . . . 0.0 111.557 178.027 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.537 ' HB2' ' O ' ' B' ' 17' ' ' ALA . 5.9 ttpm? -59.5 -42.25 91.73 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.232 -0.587 . . . . 0.0 112.352 -179.01 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -128.76 148.94 50.89 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 113.968 1.099 . . . . 0.0 113.968 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.23 -133.72 50.97 Favored Glycine 0 CA--C 1.524 0.635 0 CA-C-N 115.02 -0.991 . . . . 0.0 113.238 176.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -79.56 127.97 32.8 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 114.728 -0.736 . . . . 0.0 109.844 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.462 ' O ' ' OG ' ' B' ' 19' ' ' SER . 33.2 mtmt -57.9 -31.87 67.18 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.252 -0.886 . . . . 0.0 112.947 -177.051 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.597 ' OH ' ' CE3' ' A' ' 90' ' ' TRP . 98.9 m-85 -106.18 19.73 20.07 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 113.178 0.807 . . . . 0.0 113.178 -178.002 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.432 ' CG ' ' OE2' ' B' ' 68' ' ' GLU . 16.8 tptm -140.07 143.41 36.3 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 179.276 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 13.1 tp -116.3 130.48 56.8 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.984 -176.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 35.2 t -102.21 162.3 13.02 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 122.839 0.456 . . . . 0.0 111.112 -179.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 23.6 ttpt -52.02 -46.33 64.94 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-O 121.177 0.513 . . . . 0.0 111.185 -178.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.609 ' HG3' ' N ' ' B' ' 32' ' ' GLU . 54.6 pttt -60.49 -48.58 81.13 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.891 -178.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.609 ' N ' ' HG3' ' B' ' 31' ' ' LYS . 93.6 mt-10 -64.12 -52.13 60.64 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.261 -178.092 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 2.0 pp -60.41 -36.37 77.98 Favored 'General case' 0 CA--C 1.499 -1.004 0 C-N-CA 119.236 -0.986 . . . . 0.0 110.759 -179.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 10.7 tptm -55.83 -36.32 67.36 Favored 'General case' 0 N--CA 1.432 -1.338 0 C-N-CA 117.723 -1.591 . . . . 0.0 107.984 178.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.76 ' O ' HG23 ' B' ' 39' ' ' THR . 96.8 mt-10 -75.25 -40.46 58.93 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 112.754 0.649 . . . . 0.0 112.754 179.281 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.746 HD23 ' O ' ' B' ' 36' ' ' LEU . 3.0 tt -65.54 -46.06 81.03 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 120.328 -0.549 . . . . 0.0 111.495 -177.364 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.581 ' O ' ' N ' ' B' ' 41' ' ' LEU . 1.2 mm? -64.44 -41.94 96.28 Favored 'General case' 0 CA--C 1.52 -0.184 0 C-N-CA 118.881 -1.127 . . . . 0.0 110.762 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -64.05 -39.75 94.78 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 120.381 -0.528 . . . . 0.0 111.972 179.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.76 HG23 ' O ' ' B' ' 35' ' ' GLU . 70.1 p -71.09 -38.49 72.41 Favored 'General case' 0 N--CA 1.461 0.099 0 C-N-CA 119.979 -0.688 . . . . 0.0 111.585 -179.779 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -91.14 -50.75 5.67 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.689 -0.404 . . . . 0.0 112.008 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.602 HD22 ' OE2' ' A' ' 5' ' ' GLU . 29.3 mt -107.31 143.14 36.0 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.321 0.581 . . . . 0.0 111.617 -179.175 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.15 -66.47 1.08 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.193 178.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.34 -37.86 92.54 Favored Glycine 0 CA--C 1.533 1.179 0 CA-C-N 115.721 -0.672 . . . . 0.0 113.828 -179.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -60.01 -52.63 64.57 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 118.086 0.943 . . . . 0.0 112.199 -178.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -74.2 -40.99 62.11 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 120.307 -0.557 . . . . 0.0 111.088 178.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -61.26 -33.6 73.79 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.634 -0.712 . . . . 0.0 112.056 -179.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.57 -32.86 69.32 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -177.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 94.8 mm-40 -60.76 -33.79 73.48 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.143 -0.623 . . . . 0.0 109.85 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 37.6 tttp 71.14 -35.73 0.34 Allowed 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.482 -0.781 . . . . 0.0 112.191 179.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -70.28 142.64 52.25 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.218 -0.593 . . . . 0.0 111.177 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 4.7 m -72.63 -30.13 32.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.861 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -86.6 5.3 36.39 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.23 0.538 . . . . 0.0 110.084 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.624 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -56.59 -38.84 72.56 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.835 -178.693 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.601 HG13 ' N ' ' B' ' 55' ' ' ASP . 7.2 p -60.21 -43.78 94.04 Favored 'Isoleucine or valine' 0 C--O 1.242 0.704 0 C-N-CA 119.783 -0.767 . . . . 0.0 110.173 179.211 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.601 ' N ' HG13 ' B' ' 54' ' ' VAL . 91.7 m-20 -61.49 -43.27 99.16 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.043 179.379 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -62.62 -37.57 86.79 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.101 -0.64 . . . . 0.0 109.757 178.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.624 HG23 ' O ' ' B' ' 53' ' ' ALA . 68.2 t -64.16 -45.77 95.44 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 CA-C-N 115.738 -0.665 . . . . 0.0 112.745 -178.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.496 ' CE ' ' O ' ' B' ' 67' ' ' GLY . 2.2 ptp -66.57 -33.68 76.2 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 118.821 -1.152 . . . . 0.0 113.162 -178.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 35.7 mmtt -59.28 -42.01 90.25 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 119.357 -0.937 . . . . 0.0 112.047 -178.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -66.19 -41.42 90.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.486 0.66 . . . . 0.0 110.887 179.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.44 ' O ' ' CD ' ' B' ' 73' ' ' GLU . 78.4 mt -68.8 -32.2 71.75 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.869 -1.06 . . . . 0.0 112.701 -179.328 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.604 ' OD2' ' N ' ' B' ' 66' ' ' ASP . 50.8 t0 -74.24 94.11 2.44 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 113.087 0.773 . . . . 0.0 113.087 -175.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 78.7 tt0 -65.76 -46.9 77.07 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-O 122.645 1.212 . . . . 0.0 110.505 175.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 31.5 m120 -59.38 -35.33 73.71 Favored 'General case' 0 C--N 1.305 -1.361 0 CA-C-N 112.513 -2.13 . . . . 0.0 112.298 -178.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.501 ' H ' ' CG ' ' B' ' 62' ' ' ASP . . . 86.08 14.9 65.91 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 108.975 -1.65 . . . . 0.0 108.975 -177.683 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.604 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 27.0 p-10 -87.61 6.45 34.5 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 115.151 -0.524 . . . . 0.0 112.358 -179.088 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.498 ' N ' ' OD2' ' B' ' 62' ' ' ASP . . . 64.82 -2.51 2.6 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.091 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.463 ' H ' ' C ' ' B' ' 66' ' ' ASP . 82.5 tt0 -112.79 144.28 42.6 Favored 'General case' 0 C--O 1.24 0.566 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 46.1 t -102.4 133.0 47.29 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.717 0 C-N-CA 120.622 -0.431 . . . . 0.0 111.22 -176.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.493 ' C ' ' OD1' ' B' ' 70' ' ' ASP . 39.5 p30 -100.16 171.61 7.7 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 121.251 0.548 . . . . 0.0 110.353 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -54.49 -45.49 73.26 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.7 -178.494 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -61.86 -41.2 97.55 Favored 'General case' 0 C--O 1.244 0.8 0 C-N-CA 120.084 -0.646 . . . . 0.0 112.099 -179.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.44 ' CD ' ' O ' ' B' ' 61' ' ' LEU . 96.7 mt-10 -64.88 -41.55 95.54 Favored 'General case' 0 C--O 1.242 0.697 0 CA-C-O 122.092 0.949 . . . . 0.0 109.864 179.226 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -63.45 -41.27 98.65 Favored 'General case' 0 C--O 1.242 0.694 0 CA-C-O 122.219 1.009 . . . . 0.0 110.265 178.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.617 HG13 ' HB1' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -60.18 -47.64 91.29 Favored 'Isoleucine or valine' 0 C--O 1.249 1.037 0 CA-C-N 113.858 -1.519 . . . . 0.0 110.047 -179.055 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.44 HG22 ' O ' ' B' ' 73' ' ' GLU . 13.4 m -67.75 -34.42 67.59 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 C-N-CA 117.835 -1.546 . . . . 0.0 109.29 178.716 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.559 ' O ' HD13 ' B' ' 81' ' ' LEU . 32.5 tp -56.68 -50.76 71.18 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 118.62 -1.232 . . . . 0.0 111.638 178.061 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 35.2 m -68.5 -36.54 75.17 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 C-N-CA 118.359 -1.336 . . . . 0.0 111.746 -179.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.712 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . . . -68.49 -48.23 64.99 Favored 'General case' 0 C--O 1.251 1.169 0 C-N-CA 119.092 -1.043 . . . . 0.0 111.914 -179.401 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.81 -39.81 95.42 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.597 -0.728 . . . . 0.0 109.042 179.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.559 HD13 ' O ' ' B' ' 77' ' ' LEU . 9.2 mp -65.24 -35.3 80.61 Favored 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 119.272 -0.971 . . . . 0.0 109.963 176.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 35.6 m -62.31 -50.57 71.13 Favored 'General case' 0 C--O 1.249 1.045 0 C-N-CA 119.634 -0.826 . . . . 0.0 111.343 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 13.6 p -63.58 -38.23 81.69 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 C-N-CA 119.188 -1.005 . . . . 0.0 110.536 178.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.46 -31.34 72.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.273 178.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 4.8 t -69.97 -55.05 10.62 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.87 -179.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.543 ' ND2' HG23 ' A' ' 12' ' ' ILE . 53.9 t-20 -56.84 -40.82 76.76 Favored 'General case' 0 C--O 1.241 0.646 0 C-N-CA 117.923 -1.511 . . . . 0.0 109.007 179.343 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . 0.605 ' ND2' ' OE1' ' B' ' 91' ' ' GLU . 8.4 t-20 -60.54 -37.73 82.17 Favored 'General case' 0 C--O 1.201 -1.464 0 N-CA-C 107.75 -1.204 . . . . 0.0 107.75 178.251 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.514 ' O ' ' O ' ' B' ' 91' ' ' GLU . 67.3 t80 -60.17 -41.7 93.41 Favored 'General case' 0 C--N 1.313 -0.985 0 C-N-CA 118.783 -1.167 . . . . 0.0 109.49 179.441 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -65.87 -59.66 3.64 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 112.897 0.703 . . . . 0.0 112.897 -178.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.595 ' CE3' ' OH ' ' A' ' 26' ' ' TYR . 20.3 t-105 -69.47 -46.19 67.26 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-O 121.774 0.797 . . . . 0.0 111.601 179.651 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.605 ' OE1' ' ND2' ' B' ' 87' ' ' ASN . 36.4 mt-10 -95.05 145.63 24.83 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 114.151 -1.386 . . . . 0.0 111.184 179.274 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -102.03 121.88 43.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.566 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 47.5 t . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.97 -1.015 . . . . 0.0 110.547 179.958 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 201' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.666 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.428 ' CB ' ' O ' ' B' ' 40' ' ' GLU . 92.5 p -126.28 157.27 38.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.7 0.286 . . . . 0.0 110.255 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -61.37 -38.42 86.94 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -179.021 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.629 HD23 ' O ' ' A' ' 4' ' ' LEU . 5.3 tt -63.65 -41.98 98.15 Favored 'General case' 0 C--O 1.24 0.556 0 C-N-CA 119.299 -0.96 . . . . 0.0 108.681 -179.304 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.445 ' C ' ' OE1' ' A' ' 5' ' ' GLU . 6.1 tm-20 -63.87 -40.0 95.52 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 114.698 -1.137 . . . . 0.0 109.267 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 44.5 m -60.27 -40.44 90.38 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.305 178.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.43 -44.13 95.43 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.04 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 98.8 mtp -59.34 -40.69 87.2 Favored 'General case' 0 C--O 1.248 1.007 0 CA-C-O 121.732 0.777 . . . . 0.0 109.288 178.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -64.82 -35.91 82.63 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.048 177.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 50.9 m -64.22 -43.21 95.66 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 119.779 -0.769 . . . . 0.0 110.167 179.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 38.0 mt -62.04 -42.65 99.4 Favored 'General case' 0 C--O 1.243 0.714 0 C-N-CA 119.243 -0.983 . . . . 0.0 109.058 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.561 HG23 ' ND2' ' B' ' 86' ' ' ASN . 97.8 mt -61.99 -45.93 97.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.428 178.596 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -61.98 -41.18 97.74 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 -178.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.8 m -73.31 -41.33 57.61 Favored 'Isoleucine or valine' 0 C--O 1.255 1.355 0 C-N-CA 119.2 -1.0 . . . . 0.0 111.398 -179.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -59.94 -47.5 85.52 Favored 'General case' 0 CA--C 1.512 -0.487 0 C-N-CA 118.962 -1.095 . . . . 0.0 109.768 177.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -63.31 -35.46 80.43 Favored 'General case' 0 CA--C 1.503 -0.857 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.86 178.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.551 ' O ' ' HB2' ' A' ' 21' ' ' LYS . . . -57.2 -51.57 68.8 Favored 'General case' 0 N--CA 1.436 -1.142 0 C-N-CA 118.962 -1.095 . . . . 0.0 109.602 -178.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.47 ' HB2' HD12 ' A' ' 36' ' ' LEU . 46.2 m80 -79.22 -52.3 8.33 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 114.754 1.39 . . . . 0.0 114.754 -179.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' A' ' 24' ' ' ASP . 23.1 t -58.34 -40.95 83.51 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 118.864 -1.135 . . . . 0.0 109.184 -179.069 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -71.81 -43.95 49.07 Favored Glycine 0 C--N 1.344 0.979 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.433 178.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.551 ' HB2' ' O ' ' A' ' 17' ' ' ALA . 6.8 ttpm? -58.78 -44.26 90.64 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 120.046 -0.661 . . . . 0.0 112.069 -179.68 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.526 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 84.7 tt0 -135.86 140.47 44.18 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.369 -0.532 . . . . 0.0 111.128 -179.571 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.88 -162.92 52.13 Favored Glycine 0 CA--C 1.521 0.416 0 C-N-CA 120.799 -0.715 . . . . 0.0 111.341 178.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.4 ' O ' ' OG ' ' A' ' 19' ' ' SER . 88.3 m-20 -67.4 141.79 56.93 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 178.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.499 ' HZ1' ' HH2' ' B' ' 90' ' ' TRP . 32.2 mtmt -60.56 -32.22 71.29 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.075 -0.511 . . . . 0.0 112.201 -177.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.6 ' OH ' ' CD2' ' B' ' 90' ' ' TRP . 96.9 m-85 -107.23 19.13 20.78 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 -177.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.3 tptt -137.84 138.15 38.85 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 118.956 -1.098 . . . . 0.0 108.988 178.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.0 tp -113.66 126.28 55.08 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 -178.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 87.3 p -98.24 167.63 10.74 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.74 -0.209 . . . . 0.0 110.975 -179.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.8 ttpt -53.27 -49.28 67.25 Favored 'General case' 0 C--O 1.241 0.645 0 CA-C-O 121.121 0.486 . . . . 0.0 112.263 -178.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.586 ' HG3' ' N ' ' A' ' 32' ' ' GLU . 23.9 pttm -61.48 -48.01 83.06 Favored 'General case' 0 N--CA 1.441 -0.896 0 C-N-CA 120.053 -0.659 . . . . 0.0 110.372 -178.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.586 ' N ' ' HG3' ' A' ' 31' ' ' LYS . 94.4 mt-10 -62.69 -49.8 73.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.808 -0.633 . . . . 0.0 112.06 -178.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 pp -61.11 -36.68 80.37 Favored 'General case' 0 CA--C 1.499 -1.001 0 C-N-CA 118.673 -1.211 . . . . 0.0 110.095 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.81 ' HZ1' HE21 ' A' ' 38' ' ' GLN . 15.6 tptp -56.0 -36.41 67.89 Favored 'General case' 0 N--CA 1.434 -1.226 0 C-N-CA 118.058 -1.457 . . . . 0.0 108.073 178.389 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.856 ' O ' HG23 ' A' ' 39' ' ' THR . 97.4 mt-10 -73.84 -40.04 63.59 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 112.697 0.628 . . . . 0.0 112.697 179.205 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.755 HD23 ' O ' ' A' ' 36' ' ' LEU . 3.8 tt -65.9 -45.36 82.24 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 119.849 -0.74 . . . . 0.0 111.325 -177.268 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.569 ' O ' ' O ' ' A' ' 41' ' ' LEU . 1.2 mm? -64.48 -43.13 95.15 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 118.76 -1.176 . . . . 0.0 110.937 179.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.81 HE21 ' HZ1' ' A' ' 34' ' ' LYS . 97.8 mt-30 -63.48 -39.32 94.15 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.349 -0.54 . . . . 0.0 111.592 179.461 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.856 HG23 ' O ' ' A' ' 35' ' ' GLU . 66.3 p -71.84 -33.08 68.16 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.726 -0.39 . . . . 0.0 111.558 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.466 ' O ' ' OG ' ' B' ' 2' ' ' SER . 76.4 mm-40 -101.65 -60.01 1.6 Allowed 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 -178.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.569 ' O ' ' O ' ' A' ' 37' ' ' LEU . 53.2 mt -99.56 140.73 33.33 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.258 0.552 . . . . 0.0 111.71 -178.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -110.72 -60.95 1.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.708 179.52 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.8 -39.52 93.88 Favored Glycine 0 CA--C 1.532 1.107 0 CA-C-N 115.823 -0.626 . . . . 0.0 114.397 -177.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -61.54 -52.27 65.16 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 118.124 0.962 . . . . 0.0 112.534 -177.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -73.04 -38.92 66.35 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.292 -0.563 . . . . 0.0 111.55 178.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 57.0 t0 -60.46 -30.73 69.85 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.554 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.55 -29.74 62.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 112.098 -177.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 90.4 mm-40 -91.41 117.89 30.07 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 119.503 -0.879 . . . . 0.0 110.038 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -63.49 -36.28 83.25 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 -179.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -69.89 142.31 53.02 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -177.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.3 m -73.93 -26.93 21.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.223 178.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -79.75 1.51 26.39 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.18 -0.918 . . . . 0.0 109.612 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.496 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -56.95 -36.72 70.6 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.832 -179.409 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.613 HG13 ' N ' ' A' ' 55' ' ' ASP . 7.7 p -59.75 -44.07 93.02 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 C-N-CA 119.965 -0.694 . . . . 0.0 109.877 178.672 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.613 ' N ' HG13 ' A' ' 54' ' ' VAL . 90.6 m-20 -61.45 -42.3 98.55 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.443 179.133 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 69.2 mttm -60.81 -38.73 86.4 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.003 179.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 53' ' ' ALA . 78.2 t -65.11 -44.69 95.56 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.341 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.537 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -69.99 -32.92 71.36 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 114.457 1.28 . . . . 0.0 114.457 -178.642 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 17.0 mtmm -58.41 -41.17 84.36 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 119.714 -0.794 . . . . 0.0 113.064 -177.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -72.35 -35.09 68.45 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 119.657 -0.817 . . . . 0.0 110.501 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.468 ' O ' ' CD ' ' A' ' 73' ' ' GLU . 93.0 mt -67.42 -35.08 78.54 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-N 115.78 -0.645 . . . . 0.0 112.567 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.502 ' OD1' ' OD1' ' A' ' 66' ' ' ASP . 47.3 t0 -73.19 90.72 1.6 Allowed 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 118.406 -1.317 . . . . 0.0 111.368 -177.516 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -65.31 -47.52 76.27 Favored 'General case' 0 CA--C 1.509 -0.598 0 CA-C-O 122.676 1.226 . . . . 0.0 111.476 176.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 31.8 m120 -59.61 -34.74 73.15 Favored 'General case' 0 C--N 1.3 -1.564 0 CA-C-N 112.53 -2.123 . . . . 0.0 112.999 -178.126 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 89.19 3.88 75.19 Favored Glycine 0 CA--C 1.529 0.922 0 N-CA-C 107.994 -2.042 . . . . 0.0 107.994 -176.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.638 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 50.1 p30 -61.79 -31.98 72.23 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 113.858 -1.171 . . . . 0.0 112.967 -179.687 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.638 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 99.35 -4.52 58.48 Favored Glycine 0 CA--C 1.521 0.438 0 N-CA-C 109.026 -1.63 . . . . 0.0 109.026 -178.175 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.515 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 55.8 mp0 -112.85 154.84 25.67 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-N 114.493 -0.853 . . . . 0.0 110.908 178.096 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 46.8 t -106.83 131.2 57.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 177.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.501 ' C ' ' OD1' ' A' ' 70' ' ' ASP . 24.8 p30 -101.54 171.23 7.69 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 119.842 -0.743 . . . . 0.0 110.565 -178.685 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -53.48 -44.92 69.37 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.094 -178.508 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -62.1 -40.94 97.55 Favored 'General case' 0 C--O 1.241 0.637 0 C-N-CA 120.379 -0.528 . . . . 0.0 112.203 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.468 ' CD ' ' O ' ' A' ' 61' ' ' LEU . 92.4 mt-10 -65.04 -41.44 95.21 Favored 'General case' 0 C--O 1.241 0.611 0 CA-C-O 122.2 1.0 . . . . 0.0 109.658 179.538 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -63.51 -41.45 98.51 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-N 114.68 -1.145 . . . . 0.0 109.985 178.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.607 HG13 ' HB1' ' B' ' 79' ' ' ALA . 0.5 OUTLIER -60.31 -47.79 90.88 Favored 'Isoleucine or valine' 0 C--O 1.247 0.925 0 CA-C-N 113.813 -1.54 . . . . 0.0 110.236 -178.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.429 HG22 ' O ' ' A' ' 73' ' ' GLU . 13.4 m -68.15 -34.07 64.44 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 C-N-CA 118.021 -1.472 . . . . 0.0 109.229 178.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.73 ' O ' HD13 ' A' ' 81' ' ' LEU . 23.9 tp -57.16 -51.09 70.7 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 118.819 -1.152 . . . . 0.0 111.391 178.514 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.411 ' O ' ' OG1' ' A' ' 82' ' ' THR . 34.3 m -68.79 -36.44 74.27 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 C-N-CA 118.6 -1.24 . . . . 0.0 111.781 -179.272 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.706 ' HB2' ' HB2' ' B' ' 79' ' ' ALA . . . -68.47 -49.21 61.45 Favored 'General case' 0 C--O 1.251 1.136 0 C-N-CA 119.113 -1.035 . . . . 0.0 111.882 -179.22 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.01 -38.95 93.23 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 179.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.73 HD13 ' O ' ' A' ' 77' ' ' LEU . 10.3 mp -65.57 -34.36 78.07 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 119.152 -1.019 . . . . 0.0 109.713 176.671 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 34.5 m -62.68 -50.56 70.68 Favored 'General case' 0 C--O 1.247 0.934 0 C-N-CA 119.9 -0.72 . . . . 0.0 111.127 179.738 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.4 p -64.06 -39.8 86.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 119.14 -1.024 . . . . 0.0 110.986 179.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.91 -30.17 70.72 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 121.044 0.45 . . . . 0.0 110.064 178.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 24.3 t -68.48 -55.41 11.86 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.821 -179.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.564 ' ND2' HG23 ' B' ' 12' ' ' ILE . 53.9 t-20 -56.96 -40.61 76.8 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 118.375 -1.33 . . . . 0.0 108.765 179.184 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -59.07 -38.49 79.57 Favored 'General case' 0 CA--C 1.522 -0.124 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.792 178.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.546 ' O ' ' O ' ' A' ' 91' ' ' GLU . 67.7 t80 -63.89 -45.87 87.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.312 179.678 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -64.42 -51.65 62.08 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.402 -0.519 . . . . 0.0 111.857 -178.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.591 ' CD2' ' OH ' ' B' ' 26' ' ' TYR . 22.2 t-105 -65.59 -39.81 92.02 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-O 121.216 0.531 . . . . 0.0 112.113 179.504 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.571 ' OE1' ' N ' ' A' ' 92' ' ' ASN . 3.7 tm-20 -104.3 140.53 37.74 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.835 -176.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.571 ' N ' ' OE1' ' A' ' 91' ' ' GLU . 24.0 m120 -105.1 137.78 42.32 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.513 179.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.1 t . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.546 -179.952 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.729 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . 0.466 ' OG ' ' O ' ' A' ' 40' ' ' GLU . 91.7 p -126.18 157.33 38.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.621 0.248 . . . . 0.0 110.349 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.49 -38.45 87.35 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 112.408 0.522 . . . . 0.0 112.408 -178.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.622 HD23 ' O ' ' B' ' 4' ' ' LEU . 5.3 tt -63.57 -42.04 98.35 Favored 'General case' 0 C--O 1.24 0.575 0 C-N-CA 119.388 -0.925 . . . . 0.0 108.714 -179.358 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.454 ' OE1' ' C ' ' B' ' 5' ' ' GLU . 6.1 tm-20 -63.85 -39.96 95.46 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 114.654 -1.157 . . . . 0.0 109.23 179.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 45.7 m -60.51 -40.14 90.33 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.284 178.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.68 -44.09 94.75 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.063 179.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 98.7 mtp -59.25 -40.83 87.21 Favored 'General case' 0 C--O 1.248 0.978 0 CA-C-O 121.713 0.768 . . . . 0.0 109.33 178.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -64.79 -36.46 84.38 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.272 -0.876 . . . . 0.0 109.981 178.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 48.3 m -63.49 -43.5 97.09 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 119.814 -0.754 . . . . 0.0 110.347 179.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 43.1 mt -62.03 -42.55 99.3 Favored 'General case' 0 C--O 1.242 0.661 0 C-N-CA 119.3 -0.96 . . . . 0.0 109.074 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.564 HG23 ' ND2' ' A' ' 86' ' ' ASN . 97.9 mt -61.92 -45.97 97.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.395 -0.821 . . . . 0.0 111.424 178.556 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -62.0 -41.27 97.87 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 -178.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 14.9 m -73.22 -41.37 58.19 Favored 'Isoleucine or valine' 0 C--O 1.256 1.423 0 C-N-CA 119.144 -1.023 . . . . 0.0 111.419 -179.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -59.9 -47.49 85.56 Favored 'General case' 0 CA--C 1.512 -0.488 0 C-N-CA 118.929 -1.108 . . . . 0.0 109.867 177.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -63.19 -35.54 80.65 Favored 'General case' 0 CA--C 1.503 -0.846 0 CA-C-N 115.241 -0.89 . . . . 0.0 109.798 178.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.558 ' O ' ' HB2' ' B' ' 21' ' ' LYS . . . -57.27 -51.47 69.23 Favored 'General case' 0 N--CA 1.437 -1.118 0 C-N-CA 118.875 -1.13 . . . . 0.0 109.641 -178.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.505 ' HB2' HD12 ' B' ' 36' ' ' LEU . 46.0 m80 -79.07 -52.51 8.11 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 114.737 1.384 . . . . 0.0 114.737 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.411 ' OG ' ' O ' ' B' ' 25' ' ' LYS . 23.1 t -58.23 -41.05 83.26 Favored 'General case' 0 C--N 1.34 0.169 0 C-N-CA 118.827 -1.149 . . . . 0.0 109.276 -179.072 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -71.7 -44.04 49.82 Favored Glycine 0 C--N 1.344 0.977 0 CA-C-N 115.497 -0.774 . . . . 0.0 112.461 178.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.558 ' HB2' ' O ' ' B' ' 17' ' ' ALA . 6.8 ttpm? -58.79 -44.2 90.65 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 120.015 -0.674 . . . . 0.0 112.086 -179.654 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.529 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 84.7 tt0 -135.84 140.57 44.29 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.279 -0.568 . . . . 0.0 111.086 -179.579 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.83 -162.9 52.17 Favored Glycine 0 CA--C 1.521 0.428 0 C-N-CA 120.823 -0.703 . . . . 0.0 111.399 178.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -67.39 141.74 56.96 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 178.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.412 ' HZ1' ' HH2' ' A' ' 90' ' ' TRP . 32.3 mtmt -60.58 -32.18 71.29 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.105 -0.498 . . . . 0.0 112.194 -177.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.591 ' OH ' ' CD2' ' A' ' 90' ' ' TRP . 96.9 m-85 -107.22 19.18 20.72 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 -177.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 28.5 tptt -137.85 138.11 38.8 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 118.943 -1.103 . . . . 0.0 109.032 178.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 14.0 tp -113.55 126.28 55.12 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 -178.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 87.2 p -98.29 167.59 10.76 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.507 0.194 . . . . 0.0 110.898 -179.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 24.8 ttpt -53.21 -49.29 67.05 Favored 'General case' 0 C--O 1.241 0.632 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -178.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.58 ' HG3' ' N ' ' B' ' 32' ' ' GLU . 23.7 pttm -61.55 -48.03 82.86 Favored 'General case' 0 N--CA 1.441 -0.878 0 C-N-CA 120.102 -0.639 . . . . 0.0 110.262 -178.697 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.58 ' N ' ' HG3' ' B' ' 31' ' ' LYS . 94.4 mt-10 -62.64 -49.8 73.73 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.165 -0.614 . . . . 0.0 111.985 -178.628 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 pp -61.19 -36.64 80.42 Favored 'General case' 0 CA--C 1.499 -0.983 0 C-N-CA 118.673 -1.211 . . . . 0.0 110.066 -179.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.766 ' NZ ' HE21 ' B' ' 38' ' ' GLN . 15.6 tptp -56.02 -36.33 67.84 Favored 'General case' 0 N--CA 1.435 -1.196 0 C-N-CA 118.083 -1.447 . . . . 0.0 108.074 178.421 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.877 ' O ' HG23 ' B' ' 39' ' ' THR . 97.4 mt-10 -73.96 -39.95 63.38 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 179.177 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.746 HD23 ' O ' ' B' ' 36' ' ' LEU . 3.9 tt -65.87 -45.38 82.31 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 119.809 -0.756 . . . . 0.0 111.314 -177.308 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.563 ' O ' ' O ' ' B' ' 41' ' ' LEU . 1.2 mm? -64.53 -43.07 95.17 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 118.682 -1.207 . . . . 0.0 110.942 179.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.766 HE21 ' NZ ' ' B' ' 34' ' ' LYS . 97.7 mt-30 -63.46 -39.23 93.9 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 120.316 -0.554 . . . . 0.0 111.678 179.432 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.877 HG23 ' O ' ' B' ' 35' ' ' GLU . 67.7 p -71.91 -33.09 68.02 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.686 -0.405 . . . . 0.0 111.574 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.428 ' O ' ' CB ' ' A' ' 2' ' ' SER . 76.6 mm-40 -101.65 -59.99 1.61 Allowed 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 -178.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.563 ' O ' ' O ' ' B' ' 37' ' ' LEU . 53.3 mt -99.55 140.78 33.24 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.317 0.58 . . . . 0.0 111.798 -178.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -110.82 -60.95 1.75 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.679 179.614 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.86 -39.45 93.93 Favored Glycine 0 CA--C 1.531 1.04 0 CA-C-N 115.886 -0.597 . . . . 0.0 114.426 -177.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -61.57 -52.23 65.28 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 118.16 0.98 . . . . 0.0 112.539 -178.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -73.06 -38.88 66.3 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.321 -0.552 . . . . 0.0 111.544 178.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -60.54 -30.73 69.94 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.587 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.46 -29.83 62.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.061 -0.518 . . . . 0.0 112.137 -177.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -91.38 118.04 30.19 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 119.453 -0.899 . . . . 0.0 110.023 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -63.59 -36.25 83.19 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 113.796 1.035 . . . . 0.0 113.796 -179.052 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -69.86 142.31 53.07 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -177.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 4.4 m -73.94 -26.88 21.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.228 178.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -79.82 1.52 26.57 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.531 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.492 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -56.95 -36.74 70.63 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.9 -179.399 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.624 HG13 ' N ' ' B' ' 55' ' ' ASP . 7.8 p -59.7 -43.96 92.58 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 C-N-CA 119.873 -0.731 . . . . 0.0 109.96 178.625 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.624 ' N ' HG13 ' B' ' 54' ' ' VAL . 90.7 m-20 -61.57 -42.25 98.57 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.479 179.138 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -60.85 -38.64 86.21 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.028 179.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.492 HG23 ' O ' ' B' ' 53' ' ' ALA . 77.9 t -65.17 -44.71 95.33 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.319 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.514 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -69.96 -32.94 71.44 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 -178.639 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 17.0 mtmm -58.49 -41.13 84.61 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 119.768 -0.773 . . . . 0.0 113.026 -177.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -72.35 -35.09 68.44 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 119.616 -0.834 . . . . 0.0 110.493 179.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.465 ' O ' ' CD ' ' B' ' 73' ' ' GLU . 92.8 mt -67.38 -35.12 78.69 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.602 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.509 ' OD1' ' OD1' ' B' ' 66' ' ' ASP . 47.1 t0 -73.09 90.64 1.55 Allowed 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 118.412 -1.315 . . . . 0.0 111.393 -177.531 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -65.37 -47.47 76.3 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 122.59 1.186 . . . . 0.0 111.415 176.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 31.8 m120 -59.65 -34.68 73.13 Favored 'General case' 0 C--N 1.3 -1.587 0 CA-C-N 112.565 -2.107 . . . . 0.0 113.036 -178.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 89.25 3.73 75.22 Favored Glycine 0 CA--C 1.528 0.896 0 N-CA-C 108.003 -2.039 . . . . 0.0 108.003 -176.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.65 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 50.1 p30 -61.74 -31.96 72.17 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 113.85 -1.175 . . . . 0.0 113.041 -179.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.65 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 99.51 -4.71 58.32 Favored Glycine 0 CA--C 1.521 0.442 0 N-CA-C 109.004 -1.638 . . . . 0.0 109.004 -178.189 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.489 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 55.8 mp0 -112.86 154.72 25.87 Favored 'General case' 0 C--O 1.241 0.613 0 CA-C-N 114.531 -0.835 . . . . 0.0 110.965 178.208 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 46.6 t -106.69 131.19 57.16 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 177.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.494 ' C ' ' OD1' ' B' ' 70' ' ' ASP . 25.5 p30 -101.34 171.21 7.73 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 119.836 -0.746 . . . . 0.0 110.601 -178.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -53.6 -44.77 69.69 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.09 -178.597 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -62.13 -41.05 97.88 Favored 'General case' 0 C--O 1.242 0.669 0 C-N-CA 120.401 -0.52 . . . . 0.0 112.235 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.465 ' CD ' ' O ' ' B' ' 61' ' ' LEU . 92.4 mt-10 -64.95 -41.45 95.49 Favored 'General case' 0 C--O 1.24 0.565 0 CA-C-O 122.253 1.025 . . . . 0.0 109.671 179.529 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 59.7 t80 -63.49 -41.41 98.55 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-N 114.666 -1.152 . . . . 0.0 110.015 178.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.606 HG13 ' HB1' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -60.31 -47.84 90.7 Favored 'Isoleucine or valine' 0 C--O 1.247 0.931 0 CA-C-N 113.766 -1.561 . . . . 0.0 110.245 -178.924 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.418 HG22 ' O ' ' B' ' 73' ' ' GLU . 13.1 m -68.04 -34.17 65.33 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 C-N-CA 118.024 -1.47 . . . . 0.0 109.273 178.721 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.738 ' O ' HD13 ' B' ' 81' ' ' LEU . 23.8 tp -57.08 -51.14 70.47 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 118.793 -1.163 . . . . 0.0 111.456 178.537 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 34.3 m -68.77 -36.37 73.99 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 C-N-CA 118.557 -1.257 . . . . 0.0 111.822 -179.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.706 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . . . -68.44 -49.24 61.36 Favored 'General case' 0 C--O 1.251 1.144 0 C-N-CA 119.121 -1.032 . . . . 0.0 111.935 -179.279 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.01 -38.85 92.83 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.738 HD13 ' O ' ' B' ' 77' ' ' LEU . 10.2 mp -65.59 -34.5 78.39 Favored 'General case' 0 C--O 1.217 -0.655 0 C-N-CA 119.154 -1.018 . . . . 0.0 109.67 176.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 34.2 m -62.59 -50.53 70.91 Favored 'General case' 0 C--O 1.246 0.896 0 C-N-CA 119.872 -0.731 . . . . 0.0 111.075 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 13.2 p -64.11 -39.7 86.43 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 119.135 -1.026 . . . . 0.0 111.029 179.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.95 -30.18 70.71 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.062 178.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 24.0 t -68.43 -55.47 11.78 Favored 'General case' 0 CA--C 1.509 -0.608 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.836 -179.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.561 ' ND2' HG23 ' A' ' 12' ' ' ILE . 53.9 t-20 -56.96 -40.62 76.8 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 118.362 -1.335 . . . . 0.0 108.725 179.204 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -59.18 -38.29 79.43 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.805 178.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.545 ' O ' ' O ' ' B' ' 91' ' ' GLU . 67.8 t80 -63.93 -45.91 87.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.289 179.6 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -64.39 -51.75 61.66 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.416 -0.514 . . . . 0.0 111.773 -178.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.6 ' CD2' ' OH ' ' A' ' 26' ' ' TYR . 21.9 t-105 -65.61 -39.68 91.78 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-O 121.181 0.515 . . . . 0.0 112.142 179.572 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.568 ' OE1' ' N ' ' B' ' 92' ' ' ASN . 3.7 tm-20 -104.31 140.44 37.88 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.86 -176.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . 0.568 ' N ' ' OE1' ' B' ' 91' ' ' GLU . 24.0 m120 -105.02 137.72 42.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.482 179.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 8.3 t . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 118.052 -0.975 . . . . 0.0 110.642 -179.978 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 201' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.572 ' O ' ' OE1' ' B' ' 40' ' ' GLU . . . . . . . . 0 CA--C 1.525 0.674 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.8 p -84.46 11.83 7.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.893 0.378 . . . . 0.0 110.937 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 78.1 tt0 -50.14 -33.22 18.19 Favored 'General case' 0 C--O 1.245 0.843 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.847 -176.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.496 HD23 ' O ' ' A' ' 4' ' ' LEU . 6.3 tt -54.55 -41.2 69.5 Favored 'General case' 0 C--O 1.242 0.683 0 N-CA-C 107.713 -1.217 . . . . 0.0 107.713 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.6 ' OE2' HD22 ' B' ' 41' ' ' LEU . 71.7 mm-40 -64.38 -35.72 81.82 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.349 177.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 43.6 m -58.24 -42.1 85.62 Favored 'General case' 0 C--O 1.238 0.481 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 178.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.18 -44.22 92.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.576 178.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 99.2 mtp -59.38 -41.19 88.76 Favored 'General case' 0 C--O 1.249 1.078 0 CA-C-O 121.816 0.817 . . . . 0.0 109.621 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -64.76 -35.55 81.45 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-N 115.133 -0.94 . . . . 0.0 109.459 177.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 55.3 m -63.34 -43.44 97.72 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 119.2 -1.0 . . . . 0.0 110.39 179.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 38.2 mt -61.03 -42.56 98.71 Favored 'General case' 0 C--O 1.241 0.632 0 C-N-CA 119.101 -1.04 . . . . 0.0 108.459 -179.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.9 mt -61.12 -45.55 98.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.261 178.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -62.49 -41.52 98.86 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 113.237 0.828 . . . . 0.0 113.237 -178.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.424 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 14.4 m -73.54 -41.99 55.91 Favored 'Isoleucine or valine' 0 C--O 1.26 1.618 0 C-N-CA 119.195 -1.002 . . . . 0.0 110.822 -179.448 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -60.63 -46.59 89.71 Favored 'General case' 0 CA--C 1.509 -0.613 0 C-N-CA 119.39 -0.924 . . . . 0.0 109.381 177.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -62.04 -36.42 81.56 Favored 'General case' 0 CA--C 1.503 -0.853 0 CA-C-N 114.997 -1.001 . . . . 0.0 109.756 178.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.552 ' O ' ' HB2' ' A' ' 21' ' ' LYS . . . -57.39 -51.27 70.08 Favored 'General case' 0 N--CA 1.435 -1.206 0 C-N-CA 119.065 -1.054 . . . . 0.0 109.598 -178.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.481 ' HB2' HD12 ' A' ' 36' ' ' LEU . 30.4 m80 -79.27 -52.58 7.94 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 114.809 1.411 . . . . 0.0 114.809 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.479 ' OG ' ' O ' ' A' ' 24' ' ' ASP . 20.0 t -58.31 -40.19 81.39 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 119.319 -0.952 . . . . 0.0 109.498 -178.733 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.17 -44.96 27.28 Favored Glycine 0 C--N 1.345 1.07 0 CA-C-N 115.847 -0.615 . . . . 0.0 112.468 178.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.552 ' HB2' ' O ' ' A' ' 17' ' ' ALA . 6.7 ttpm? -58.18 -44.07 87.83 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 120.183 -0.607 . . . . 0.0 111.802 -179.64 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.532 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 84.7 tt0 -133.33 137.06 45.76 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.204 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.57 -164.16 53.97 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 178.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.479 ' O ' ' OG ' ' A' ' 19' ' ' SER . 88.3 m-20 -70.08 142.97 52.57 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 178.62 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.451 ' C ' ' OG ' ' A' ' 19' ' ' SER . 51.0 mttm -60.54 -32.95 71.98 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.82 0.819 . . . . 0.0 110.344 -178.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.595 ' OH ' ' CE3' ' B' ' 90' ' ' TRP . 97.9 m-85 -102.71 15.9 27.99 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 114.666 -1.152 . . . . 0.0 112.939 -175.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.575 ' NZ ' ' OD2' ' A' ' 66' ' ' ASP . 5.1 tptt -140.8 138.39 34.03 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 118.948 -1.101 . . . . 0.0 109.39 178.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.3 tp -113.43 129.55 56.52 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 -178.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.4 t -102.11 159.59 15.25 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.662 -0.245 . . . . 0.0 110.456 -179.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.9 ttpt -52.35 -46.78 66.27 Favored 'General case' 0 C--O 1.239 0.541 0 C-N-CA 120.439 -0.504 . . . . 0.0 111.231 -178.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.581 ' HG3' ' N ' ' A' ' 32' ' ' GLU . 21.7 pttm -60.36 -48.25 82.55 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.116 -178.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.581 ' N ' ' HG3' ' A' ' 31' ' ' LYS . 94.7 mt-10 -62.97 -48.48 78.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.031 -178.653 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 pp -62.25 -34.3 76.26 Favored 'General case' 0 CA--C 1.497 -1.082 0 C-N-CA 118.699 -1.2 . . . . 0.0 110.368 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.728 ' NZ ' HE22 ' A' ' 38' ' ' GLN . 0.8 OUTLIER -54.92 -36.67 65.5 Favored 'General case' 0 N--CA 1.435 -1.211 0 C-N-CA 117.743 -1.583 . . . . 0.0 107.583 178.25 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.857 ' O ' HG23 ' A' ' 39' ' ' THR . 97.2 mt-10 -75.62 -41.31 54.66 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 178.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.75 HD23 ' O ' ' A' ' 36' ' ' LEU . 2.4 tt -66.19 -46.77 76.13 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 120.097 -0.641 . . . . 0.0 111.879 -176.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.583 ' CD2' ' N ' ' A' ' 37' ' ' LEU . 1.2 mm? -65.01 -41.75 95.06 Favored 'General case' 0 CA--C 1.52 -0.206 0 C-N-CA 118.611 -1.235 . . . . 0.0 110.872 -179.657 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.728 HE22 ' NZ ' ' A' ' 34' ' ' LYS . 95.8 mt-30 -64.34 -39.78 94.56 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.418 -0.513 . . . . 0.0 111.924 179.425 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.857 HG23 ' O ' ' A' ' 35' ' ' GLU . 63.9 p -70.97 -39.24 72.64 Favored 'General case' 0 C--N 1.334 -0.105 0 C-N-CA 120.215 -0.594 . . . . 0.0 111.568 -179.659 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.566 ' OE1' ' O ' ' B' ' 1' ' ' GLY . 80.1 mm-40 -90.87 -48.98 6.69 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.69 -0.404 . . . . 0.0 111.908 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.599 HD22 ' OE2' ' B' ' 5' ' ' GLU . 26.3 mt -107.62 142.5 37.47 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.24 0.543 . . . . 0.0 111.377 -179.403 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.7 t -115.87 -65.86 1.14 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.329 178.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.85 -38.03 91.64 Favored Glycine 0 CA--C 1.532 1.104 0 CA-C-N 115.73 -0.668 . . . . 0.0 113.712 -179.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -60.77 -53.41 57.69 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 117.954 0.877 . . . . 0.0 112.132 -178.043 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -74.24 -39.71 62.87 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 120.36 -0.536 . . . . 0.0 111.068 178.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -61.34 -30.03 70.26 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.503 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.83 -29.29 59.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.118 -0.492 . . . . 0.0 112.012 -177.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -90.08 118.96 30.02 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 119.467 -0.893 . . . . 0.0 109.687 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.1 tttp -62.72 -39.69 94.86 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 -178.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -70.36 142.41 52.13 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 -177.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.6 m -73.01 -27.62 24.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 178.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -72.54 -6.27 42.75 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 114.887 -1.051 . . . . 0.0 109.391 179.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.422 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -55.44 -37.75 68.11 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.198 -178.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.584 HG13 ' N ' ' A' ' 55' ' ' ASP . 9.9 p -59.95 -42.99 91.3 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 C-N-CA 119.609 -0.836 . . . . 0.0 109.888 178.285 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.584 ' N ' HG13 ' A' ' 54' ' ' VAL . 88.3 m-20 -61.52 -42.36 98.69 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.652 179.485 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 53.4 mttp -60.95 -39.16 88.44 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.254 -0.578 . . . . 0.0 110.237 179.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 53' ' ' ALA . 75.0 t -66.15 -45.09 91.15 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.499 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.418 -179.615 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.401 ' HG3' ' N ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER -70.72 -35.86 72.93 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 114.506 1.299 . . . . 0.0 114.506 -178.142 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.401 ' N ' ' HG3' ' A' ' 58' ' ' MET . 28.7 mmtm -60.47 -40.44 91.23 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 119.852 -0.739 . . . . 0.0 112.94 -179.115 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -71.24 -35.76 71.55 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 119.425 -0.91 . . . . 0.0 110.435 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 63' ' ' GLU . 97.6 mt -67.16 -36.14 81.19 Favored 'General case' 0 CA--C 1.509 -0.616 0 CA-C-N 116.001 -0.545 . . . . 0.0 112.028 179.447 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.409 ' CG ' ' H ' ' A' ' 65' ' ' GLY . 44.3 t0 -71.51 71.39 0.68 Allowed 'General case' 0 N--CA 1.444 -0.74 0 C-N-CA 118.312 -1.355 . . . . 0.0 110.634 -178.399 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 61' ' ' LEU . 86.8 tt0 -62.71 -36.99 84.77 Favored 'General case' 0 CA--C 1.497 -1.07 0 N-CA-C 107.15 -1.426 . . . . 0.0 107.15 175.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.481 ' OD1' ' OD2' ' A' ' 66' ' ' ASP . 17.7 t-20 -57.31 -39.6 76.15 Favored 'General case' 0 N--CA 1.429 -1.488 0 CA-C-N 111.582 -2.553 . . . . 0.0 111.275 178.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.409 ' H ' ' CG ' ' A' ' 62' ' ' ASP . . . 80.07 18.49 71.99 Favored Glycine 0 CA--C 1.529 0.935 0 C-N-CA 121.314 -0.47 . . . . 0.0 112.781 178.069 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.575 ' OD2' ' NZ ' ' A' ' 27' ' ' LYS . 53.8 p30 -88.79 2.02 54.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 117.41 0.605 . . . . 0.0 112.328 -179.716 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 86.46 -2.48 87.41 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.519 -1.033 . . . . 0.0 110.519 178.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.509 ' OE1' ' O ' ' A' ' 66' ' ' ASP . 55.9 mp0 -122.09 161.14 23.61 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 115.38 -0.41 . . . . 0.0 110.398 179.594 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 47.9 t -101.82 130.26 51.8 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 N-CA-C 106.326 -1.731 . . . . 0.0 106.326 176.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.524 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 49.6 t0 -99.94 161.88 13.34 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.233 0.54 . . . . 0.0 111.823 -177.133 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.524 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 1.0 OUTLIER -50.36 -44.66 54.7 Favored 'General case' 0 C--O 1.217 -0.654 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.695 -178.451 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.425 ' HG2' HG21 ' B' ' 83' ' ' VAL . 94.3 mt-30 -61.98 -40.37 95.38 Favored 'General case' 0 C--O 1.244 0.814 0 C-N-CA 119.731 -0.788 . . . . 0.0 110.741 178.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.506 ' O ' HG22 ' A' ' 76' ' ' VAL . 76.1 mt-10 -64.15 -42.97 96.55 Favored 'General case' 0 C--O 1.244 0.798 0 CA-C-O 122.53 1.157 . . . . 0.0 109.733 -179.759 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -63.34 -41.02 98.85 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 114.232 -1.349 . . . . 0.0 110.256 178.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.636 HG13 ' HB1' ' B' ' 79' ' ' ALA . 0.5 OUTLIER -59.91 -47.72 90.51 Favored 'Isoleucine or valine' 0 C--O 1.247 0.972 0 CA-C-N 113.771 -1.559 . . . . 0.0 109.661 -178.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.506 HG22 ' O ' ' A' ' 73' ' ' GLU . 17.1 m -67.13 -34.71 71.34 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.587 0 C-N-CA 117.794 -1.563 . . . . 0.0 109.466 178.563 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.692 ' O ' HD13 ' A' ' 81' ' ' LEU . 25.7 tp -57.59 -50.25 73.73 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 118.826 -1.15 . . . . 0.0 111.866 178.518 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 35.1 m -69.02 -36.0 71.69 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.254 0 C-N-CA 118.658 -1.217 . . . . 0.0 111.587 -179.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.725 ' HB2' ' HB2' ' B' ' 79' ' ' ALA . . . -68.48 -48.03 65.54 Favored 'General case' 0 C--O 1.248 0.996 0 C-N-CA 118.996 -1.082 . . . . 0.0 111.691 -179.301 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.26 -39.79 95.57 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.13 179.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.692 HD13 ' O ' ' A' ' 77' ' ' LEU . 10.3 mp -65.27 -34.77 79.13 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 119.425 -0.91 . . . . 0.0 109.909 176.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 35.9 m -63.47 -50.3 70.26 Favored 'General case' 0 C--O 1.245 0.852 0 C-N-CA 119.845 -0.742 . . . . 0.0 111.454 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.459 ' O ' ' OD1' ' A' ' 87' ' ' ASN . 13.7 p -63.74 -38.93 83.59 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 C-N-CA 119.042 -1.063 . . . . 0.0 110.524 178.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.51 -30.62 71.4 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.832 178.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 38.7 t -67.57 -54.31 20.94 Favored 'General case' 0 CA--C 1.51 -0.588 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.43 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -55.9 -41.07 73.96 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 118.635 -1.226 . . . . 0.0 108.563 178.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.459 ' OD1' ' O ' ' A' ' 83' ' ' VAL . 25.1 m120 -59.22 -38.24 79.46 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.768 178.18 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -63.42 -46.97 83.89 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.936 179.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -62.87 -49.6 74.23 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -178.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.587 ' CE3' ' OH ' ' B' ' 26' ' ' TYR . 11.0 t-105 -71.75 -51.1 24.47 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-O 121.296 0.569 . . . . 0.0 112.421 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.447 ' C ' ' OE1' ' A' ' 91' ' ' GLU . 7.9 tm-20 -63.86 -32.89 74.56 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 115.229 -0.896 . . . . 0.0 112.135 -177.495 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 -100.23 120.21 39.55 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.397 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 117.952 -1.023 . . . . 0.0 110.597 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . 0.566 ' O ' ' OE1' ' A' ' 40' ' ' GLU . . . . . . . . 0 C--O 1.221 -0.698 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 34.1 p -84.51 11.85 7.98 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 122.567 0.347 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -50.21 -33.17 18.54 Favored 'General case' 0 C--O 1.246 0.901 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.791 -176.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.494 HD23 ' O ' ' B' ' 4' ' ' LEU . 6.3 tt -54.54 -41.23 69.49 Favored 'General case' 0 C--O 1.243 0.718 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.599 ' OE2' HD22 ' A' ' 41' ' ' LEU . 71.5 mm-40 -64.41 -35.67 81.67 Favored 'General case' 0 CA--C 1.512 -0.501 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.426 177.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 42.7 m -58.28 -41.9 85.36 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 178.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.36 -44.14 92.36 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.573 178.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 99.2 mtp -59.45 -41.17 89.05 Favored 'General case' 0 C--O 1.25 1.107 0 CA-C-O 121.77 0.795 . . . . 0.0 109.642 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -64.69 -36.2 83.52 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.372 177.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 54.0 m -62.56 -43.77 97.99 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 119.329 -0.948 . . . . 0.0 110.438 178.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 42.4 mt -60.99 -42.41 98.33 Favored 'General case' 0 C--O 1.241 0.608 0 C-N-CA 119.07 -1.052 . . . . 0.0 108.545 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.8 mt -61.27 -45.51 98.46 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.131 178.5 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -62.46 -41.54 98.83 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -178.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.428 ' O ' ' HB3' ' B' ' 17' ' ' ALA . 14.5 m -73.66 -41.85 55.07 Favored 'Isoleucine or valine' 0 C--O 1.26 1.617 0 C-N-CA 119.17 -1.012 . . . . 0.0 110.793 -179.382 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -60.68 -46.63 89.63 Favored 'General case' 0 CA--C 1.508 -0.636 0 C-N-CA 119.348 -0.941 . . . . 0.0 109.414 177.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -61.94 -36.4 81.27 Favored 'General case' 0 CA--C 1.502 -0.878 0 CA-C-N 114.988 -1.005 . . . . 0.0 109.847 178.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.558 ' O ' ' HB2' ' B' ' 21' ' ' LYS . . . -57.37 -51.32 69.86 Favored 'General case' 0 N--CA 1.435 -1.185 0 C-N-CA 119.104 -1.038 . . . . 0.0 109.609 -179.063 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.53 ' HA ' ' HZ1' ' B' ' 21' ' ' LYS . 30.3 m80 -79.19 -52.61 7.93 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 114.794 1.405 . . . . 0.0 114.794 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.505 ' OG ' ' O ' ' B' ' 24' ' ' ASP . 20.0 t -58.37 -40.26 81.79 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 119.457 -0.897 . . . . 0.0 109.444 -178.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.15 -44.95 27.41 Favored Glycine 0 C--N 1.345 1.053 0 CA-C-N 115.826 -0.625 . . . . 0.0 112.432 178.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.558 ' HB2' ' O ' ' B' ' 17' ' ' ALA . 6.7 ttpm? -58.22 -44.05 88.02 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 120.161 -0.616 . . . . 0.0 111.783 -179.567 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.543 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 84.7 tt0 -133.31 137.14 45.84 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.503 -0.479 . . . . 0.0 110.172 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.49 -164.13 54.03 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 178.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.505 ' O ' ' OG ' ' B' ' 19' ' ' SER . 88.6 m-20 -70.14 142.94 52.47 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 178.7 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.456 ' C ' ' OG ' ' B' ' 19' ' ' SER . 51.0 mttm -60.51 -32.97 71.96 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.682 0.753 . . . . 0.0 110.275 -178.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.587 ' OH ' ' CE3' ' A' ' 90' ' ' TRP . 97.8 m-85 -102.62 15.9 27.94 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 114.704 -1.135 . . . . 0.0 112.954 -175.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.554 ' NZ ' ' OD2' ' B' ' 66' ' ' ASP . 5.0 tptt -140.75 138.44 34.16 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 118.909 -1.117 . . . . 0.0 109.483 178.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 15.3 tp -113.55 129.43 56.56 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 -178.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 24.2 t -102.06 159.59 15.24 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.495 -179.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 23.0 ttpt -52.33 -46.72 66.17 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-O 121.205 0.526 . . . . 0.0 111.319 -178.17 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.574 ' HG3' ' N ' ' B' ' 32' ' ' GLU . 21.7 pttm -60.53 -48.1 83.27 Favored 'General case' 0 N--CA 1.44 -0.975 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.018 -178.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.574 ' N ' ' HG3' ' B' ' 31' ' ' LYS . 94.7 mt-10 -63.07 -48.52 78.3 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.963 -178.63 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 pp -62.2 -34.32 76.24 Favored 'General case' 0 CA--C 1.498 -1.051 0 C-N-CA 118.755 -1.178 . . . . 0.0 110.398 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.731 ' NZ ' HE22 ' B' ' 38' ' ' GLN . 0.8 OUTLIER -54.93 -36.68 65.53 Favored 'General case' 0 N--CA 1.435 -1.19 0 C-N-CA 117.729 -1.588 . . . . 0.0 107.574 178.249 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.875 ' O ' HG23 ' B' ' 39' ' ' THR . 97.3 mt-10 -75.59 -41.31 54.88 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 178.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.752 HD23 ' O ' ' B' ' 36' ' ' LEU . 2.5 tt -66.19 -46.79 76.08 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 120.155 -0.618 . . . . 0.0 111.901 -176.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.584 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 1.1 mm? -64.91 -41.82 95.26 Favored 'General case' 0 CA--C 1.52 -0.211 0 C-N-CA 118.74 -1.184 . . . . 0.0 110.891 -179.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.731 HE22 ' NZ ' ' B' ' 34' ' ' LYS . 95.8 mt-30 -64.4 -39.79 94.53 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.405 -0.518 . . . . 0.0 111.85 179.485 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.875 HG23 ' O ' ' B' ' 35' ' ' GLU . 63.0 p -70.95 -39.26 72.7 Favored 'General case' 0 C--O 1.232 0.158 0 C-N-CA 120.21 -0.596 . . . . 0.0 111.594 -179.63 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.572 ' OE1' ' O ' ' A' ' 1' ' ' GLY . 80.1 mm-40 -90.84 -49.04 6.66 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.752 -0.379 . . . . 0.0 111.938 179.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.6 HD22 ' OE2' ' A' ' 5' ' ' GLU . 26.3 mt -107.47 142.51 37.23 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.17 0.509 . . . . 0.0 111.409 -179.448 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 6.7 t -115.96 -65.8 1.15 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.268 178.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.87 -38.01 91.73 Favored Glycine 0 CA--C 1.531 1.066 0 CA-C-N 115.84 -0.618 . . . . 0.0 113.71 -179.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -60.74 -53.52 56.34 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 117.991 0.895 . . . . 0.0 112.145 -178.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -74.06 -39.83 63.22 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 120.427 -0.509 . . . . 0.0 111.121 178.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -61.23 -30.05 70.21 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.609 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.83 -29.25 59.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.041 -0.527 . . . . 0.0 112.052 -177.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 90.4 mm-40 -90.2 119.0 30.15 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 119.488 -0.885 . . . . 0.0 109.725 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 37.1 tttp -62.77 -39.6 94.69 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 -178.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -70.38 142.42 52.1 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -177.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 4.6 m -73.01 -27.63 24.98 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 178.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -72.56 -6.18 42.22 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 114.889 -1.05 . . . . 0.0 109.378 179.112 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.419 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -55.43 -37.76 68.1 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.137 -178.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.574 HG13 ' N ' ' B' ' 55' ' ' ASP . 9.9 p -59.97 -43.0 91.44 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 C-N-CA 119.573 -0.851 . . . . 0.0 109.827 178.354 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.574 ' N ' HG13 ' B' ' 54' ' ' VAL . 88.3 m-20 -61.5 -42.32 98.62 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.67 179.561 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 53.5 mttp -60.93 -39.21 88.55 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.248 -0.581 . . . . 0.0 110.265 179.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.419 HG23 ' O ' ' B' ' 53' ' ' ALA . 75.1 t -66.08 -45.19 91.16 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.488 0 CA-C-N 115.87 -0.605 . . . . 0.0 112.422 -179.621 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.401 ' HG3' ' N ' ' B' ' 59' ' ' LYS . 0.2 OUTLIER -70.67 -35.84 73.04 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 114.517 1.303 . . . . 0.0 114.517 -178.132 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.401 ' N ' ' HG3' ' B' ' 58' ' ' MET . 28.7 mmtm -60.55 -40.43 91.55 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 119.777 -0.769 . . . . 0.0 112.965 -179.114 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -71.22 -35.7 71.6 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 119.412 -0.915 . . . . 0.0 110.475 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' B' ' 63' ' ' GLU . 97.7 mt -67.2 -36.15 81.13 Favored 'General case' 0 CA--C 1.509 -0.635 0 CA-C-N 116.044 -0.525 . . . . 0.0 112.069 179.407 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.409 ' CG ' ' H ' ' B' ' 65' ' ' GLY . 44.4 t0 -71.48 71.38 0.67 Allowed 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 118.312 -1.355 . . . . 0.0 110.56 -178.37 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' B' ' 61' ' ' LEU . 86.8 tt0 -62.62 -37.21 85.4 Favored 'General case' 0 CA--C 1.498 -1.026 0 N-CA-C 107.078 -1.453 . . . . 0.0 107.078 175.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.482 ' OD1' ' OD2' ' B' ' 66' ' ' ASP . 17.7 t-20 -57.21 -39.53 75.63 Favored 'General case' 0 N--CA 1.429 -1.484 0 CA-C-N 111.515 -2.584 . . . . 0.0 111.388 178.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.409 ' H ' ' CG ' ' B' ' 62' ' ' ASP . . . 80.06 18.4 72.23 Favored Glycine 0 CA--C 1.529 0.958 0 C-N-CA 121.391 -0.433 . . . . 0.0 112.808 177.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.554 ' OD2' ' NZ ' ' B' ' 27' ' ' LYS . 54.2 p30 -88.6 1.94 54.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 117.373 0.586 . . . . 0.0 112.309 -179.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 86.47 -2.58 87.41 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.538 -1.025 . . . . 0.0 110.538 179.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.514 ' OE1' ' O ' ' B' ' 66' ' ' ASP . 55.9 mp0 -122.08 161.18 23.53 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 115.371 -0.414 . . . . 0.0 110.381 179.608 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 48.0 t -101.83 130.29 51.75 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 N-CA-C 106.337 -1.727 . . . . 0.0 106.337 176.17 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.542 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 49.0 t0 -99.83 161.82 13.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.267 0.556 . . . . 0.0 111.809 -177.058 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.542 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 1.0 OUTLIER -50.48 -44.62 55.85 Favored 'General case' 0 C--O 1.217 -0.64 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.598 -178.509 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.423 ' HG2' HG21 ' A' ' 83' ' ' VAL . 94.3 mt-30 -61.9 -40.33 95.06 Favored 'General case' 0 C--O 1.246 0.901 0 C-N-CA 119.733 -0.787 . . . . 0.0 110.799 178.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.504 ' O ' HG22 ' B' ' 76' ' ' VAL . 76.1 mt-10 -64.24 -43.07 96.03 Favored 'General case' 0 C--O 1.243 0.746 0 CA-C-O 122.518 1.151 . . . . 0.0 109.614 -179.685 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -63.17 -41.11 99.18 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.281 -1.327 . . . . 0.0 110.252 178.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.634 HG13 ' HB1' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -59.97 -47.66 90.83 Favored 'Isoleucine or valine' 0 C--O 1.248 0.978 0 CA-C-N 113.805 -1.543 . . . . 0.0 109.663 -178.898 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.504 HG22 ' O ' ' B' ' 73' ' ' GLU . 17.2 m -67.23 -34.62 70.4 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.584 0 C-N-CA 117.722 -1.591 . . . . 0.0 109.473 178.488 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.702 ' O ' HD13 ' B' ' 81' ' ' LEU . 25.7 tp -57.56 -50.36 73.36 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 118.886 -1.125 . . . . 0.0 111.791 178.467 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 34.9 m -68.88 -36.14 72.68 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 C-N-CA 118.78 -1.168 . . . . 0.0 111.596 -179.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.725 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . . . -68.4 -48.03 65.74 Favored 'General case' 0 C--O 1.25 1.084 0 C-N-CA 118.965 -1.094 . . . . 0.0 111.814 -179.371 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.23 -39.8 95.63 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.65 -0.704 . . . . 0.0 109.163 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.702 HD13 ' O ' ' B' ' 77' ' ' LEU . 10.2 mp -65.3 -34.81 79.22 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 119.509 -0.877 . . . . 0.0 109.881 176.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 36.8 m -63.43 -50.3 70.32 Favored 'General case' 0 C--O 1.246 0.908 0 C-N-CA 119.803 -0.759 . . . . 0.0 111.39 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.467 ' O ' ' OD1' ' B' ' 87' ' ' ASN . 13.8 p -63.7 -38.96 83.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 C-N-CA 119.057 -1.057 . . . . 0.0 110.535 178.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.45 -30.66 71.47 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.82 178.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 38.6 t -67.53 -54.47 19.72 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.384 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -55.82 -41.03 73.6 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 118.63 -1.228 . . . . 0.0 108.651 178.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . 0.467 ' OD1' ' O ' ' B' ' 83' ' ' VAL . 25.1 m120 -59.19 -38.33 79.59 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.816 178.141 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -63.39 -47.0 83.86 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.888 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -62.85 -49.6 74.25 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -178.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.595 ' CE3' ' OH ' ' A' ' 26' ' ' TYR . 10.9 t-105 -71.84 -50.99 24.65 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-O 121.24 0.543 . . . . 0.0 112.388 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.45 ' OE1' ' C ' ' B' ' 91' ' ' GLU . 7.9 tm-20 -63.91 -32.87 74.55 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 115.284 -0.871 . . . . 0.0 112.197 -177.579 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 46.2 t-20 -100.23 120.21 39.56 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.369 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.549 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 201' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.639 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.4 m -62.88 154.99 28.38 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 55.7 mp0 -61.76 -37.38 84.09 Favored 'General case' 0 C--O 1.241 0.636 0 C-N-CA 120.67 -0.412 . . . . 0.0 111.838 -179.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.516 HD22 HD21 ' B' ' 41' ' ' LEU . 5.7 tt -60.24 -40.12 89.13 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 107.583 -1.265 . . . . 0.0 107.583 -179.344 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.47 -37.43 87.49 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.002 178.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.1 m -59.12 -41.91 89.32 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 179.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.61 -45.07 88.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.549 179.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 99.2 mtp -59.65 -41.3 90.22 Favored 'General case' 0 C--O 1.248 0.991 0 CA-C-O 121.584 0.707 . . . . 0.0 109.733 179.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.84 -35.74 82.09 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.839 177.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 41.5 m -63.77 -43.23 97.01 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 119.523 -0.871 . . . . 0.0 110.145 179.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 37.4 mt -61.57 -42.53 98.98 Favored 'General case' 0 C--O 1.242 0.702 0 C-N-CA 119.295 -0.962 . . . . 0.0 108.821 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 99.5 mt -61.81 -46.78 95.78 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 C-N-CA 119.509 -0.876 . . . . 0.0 110.85 178.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -61.91 -40.78 96.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.885 -179.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.0 m -72.9 -39.78 59.06 Favored 'Isoleucine or valine' 0 C--O 1.246 0.888 0 C-N-CA 118.726 -1.19 . . . . 0.0 111.067 -179.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -60.88 -48.17 83.03 Favored 'General case' 0 C--N 1.345 0.374 0 C-N-CA 118.577 -1.249 . . . . 0.0 110.163 177.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -63.06 -36.0 82.11 Favored 'General case' 0 CA--C 1.504 -0.817 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.052 178.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.592 ' O ' ' HB2' ' A' ' 21' ' ' LYS . . . -55.37 -50.57 69.35 Favored 'General case' 0 CA--C 1.492 -1.27 0 C-N-CA 118.781 -1.168 . . . . 0.0 108.623 -179.213 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 1.056 ' ND1' HD11 ' A' ' 28' ' ' LEU . 13.4 t-80 -76.81 -55.54 5.39 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 116.256 1.947 . . . . 0.0 116.256 -177.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.43 ' OG ' ' O ' ' A' ' 25' ' ' LYS . 23.0 t -58.79 -41.21 86.15 Favored 'General case' 0 CA--C 1.509 -0.608 0 N-CA-C 107.88 -1.156 . . . . 0.0 107.88 -179.046 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.55 -43.41 94.64 Favored Glycine 0 C--N 1.349 1.258 0 O-C-N 124.642 1.214 . . . . 0.0 111.182 177.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.592 ' HB2' ' O ' ' A' ' 17' ' ' ALA . 5.4 ttpm? -60.08 -44.13 95.01 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 -178.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -131.97 141.84 49.42 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 113.709 1.004 . . . . 0.0 113.709 -177.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 63.83 -131.47 40.12 Favored Glycine 0 CA--C 1.524 0.603 0 CA-C-N 115.093 -0.958 . . . . 0.0 112.992 177.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -79.41 125.16 29.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.066 -0.567 . . . . 0.0 110.251 -179.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.43 ' O ' ' OG ' ' A' ' 19' ' ' SER . 35.3 mtmt -58.53 -32.46 68.88 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.38 -0.827 . . . . 0.0 112.914 -177.512 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.607 ' OH ' ' CH2' ' B' ' 90' ' ' TRP . 97.3 m-85 -107.85 19.71 19.72 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 -178.034 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.407 ' NZ ' ' OD2' ' A' ' 66' ' ' ASP . 34.6 tptt -143.23 145.56 32.87 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 119.154 -1.018 . . . . 0.0 109.447 179.231 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 1.056 HD11 ' ND1' ' A' ' 18' ' ' HIS . 5.7 tp -112.29 128.95 56.42 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 119.977 -0.689 . . . . 0.0 109.996 -177.593 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.8 t -103.66 156.9 17.44 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.4 ttpm? -53.75 -47.17 70.92 Favored 'General case' 0 C--O 1.244 0.789 0 CA-C-O 121.43 0.633 . . . . 0.0 111.948 -177.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.603 ' HG3' ' N ' ' A' ' 32' ' ' GLU . 55.1 pttt -59.41 -47.57 84.95 Favored 'General case' 0 N--CA 1.44 -0.939 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.367 -178.668 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.671 ' O ' ' NE2' ' A' ' 18' ' ' HIS . 94.8 mt-10 -62.7 -48.83 77.57 Favored 'General case' 0 C--O 1.244 0.8 0 CA-C-N 115.035 -0.984 . . . . 0.0 112.158 -178.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.8 pp -62.25 -33.47 74.67 Favored 'General case' 0 CA--C 1.499 -1.015 0 C-N-CA 118.462 -1.295 . . . . 0.0 110.424 -179.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.686 ' NZ ' ' NE2' ' A' ' 38' ' ' GLN . 1.1 tptp -53.54 -36.93 62.35 Favored 'General case' 0 N--CA 1.439 -1.025 0 C-N-CA 117.458 -1.697 . . . . 0.0 107.718 177.433 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.866 ' O ' HG23 ' A' ' 39' ' ' THR . 97.0 mt-10 -74.63 -42.84 57.87 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 178.697 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.817 HD23 ' O ' ' A' ' 36' ' ' LEU . 3.3 tt -63.21 -45.66 90.63 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 118.599 -1.24 . . . . 0.0 111.057 -177.642 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.588 ' O ' ' O ' ' A' ' 41' ' ' LEU . 1.3 mm? -61.71 -43.54 98.66 Favored 'General case' 0 CA--C 1.515 -0.401 0 C-N-CA 118.694 -1.202 . . . . 0.0 110.997 -179.024 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.686 ' NE2' ' NZ ' ' A' ' 34' ' ' LYS . 96.0 mt-30 -62.89 -37.65 87.77 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.16 -0.616 . . . . 0.0 111.088 178.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.866 HG23 ' O ' ' A' ' 35' ' ' GLU . 72.6 p -71.02 -34.03 70.93 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 120.648 -0.421 . . . . 0.0 112.032 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -102.51 -59.0 1.77 Allowed 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 113.048 0.758 . . . . 0.0 113.048 -179.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.588 ' O ' ' O ' ' A' ' 37' ' ' LEU . 31.3 mt -98.29 142.53 29.83 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.358 0.599 . . . . 0.0 111.163 -178.702 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.549 ' OG ' ' N ' ' A' ' 43' ' ' GLY . 83.0 p -110.8 -77.02 0.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.146 179.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.549 ' N ' ' OG ' ' A' ' 42' ' ' SER . . . -56.63 -35.73 68.4 Favored Glycine 0 CA--C 1.53 1.028 0 CA-C-N 115.691 -0.686 . . . . 0.0 113.899 -178.413 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -61.25 -59.09 5.84 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 118.144 0.972 . . . . 0.0 112.731 -177.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.564 HD13 ' O ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -71.96 -39.47 69.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.544 0.688 . . . . 0.0 109.789 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.437 ' CB ' ' O ' ' A' ' 42' ' ' SER . 59.2 t0 -62.45 -27.13 68.9 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.923 179.067 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.51 ' HB2' ' O ' ' A' ' 43' ' ' GLY . . . -53.21 -26.54 18.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.203 -0.453 . . . . 0.0 112.028 -176.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 91.5 mm-40 -85.72 117.34 24.54 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 119.334 -0.946 . . . . 0.0 109.765 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -63.01 -35.81 81.47 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 113.715 1.005 . . . . 0.0 113.715 -179.085 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -69.36 142.33 54.0 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 -177.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.3 m -74.04 -27.72 22.63 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.123 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.67 178.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -80.7 2.79 24.5 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 115.333 -0.849 . . . . 0.0 109.325 179.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.544 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -56.93 -37.61 71.73 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.197 -0.91 . . . . 0.0 109.741 -179.431 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.565 HG13 ' N ' ' A' ' 55' ' ' ASP . 10.6 p -60.85 -42.86 94.13 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 C-N-CA 119.718 -0.793 . . . . 0.0 110.293 178.557 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.565 ' N ' HG13 ' A' ' 54' ' ' VAL . 87.0 m-20 -60.41 -44.31 95.86 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 120.009 -0.676 . . . . 0.0 109.189 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 69.3 mttm -63.8 -39.43 94.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.473 179.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 53' ' ' ALA . 67.9 t -65.41 -46.87 88.87 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.206 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 -177.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.7 ppp? -67.0 -34.22 77.28 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 113.693 0.997 . . . . 0.0 113.693 -178.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 36.3 mmtt -60.51 -40.45 91.49 Favored 'General case' 0 N--CA 1.465 0.275 0 C-N-CA 119.27 -0.972 . . . . 0.0 111.07 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -64.56 -40.45 95.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.211 0.529 . . . . 0.0 110.804 179.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 63' ' ' GLU . 79.6 mt -68.31 -34.68 76.57 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.379 -0.828 . . . . 0.0 112.399 -179.325 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.441 ' CG ' ' H ' ' A' ' 65' ' ' GLY . 44.6 t0 -69.94 72.01 0.39 Allowed 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 118.525 -1.27 . . . . 0.0 110.288 -178.228 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 61' ' ' LEU . 87.6 tt0 -63.78 -38.4 90.96 Favored 'General case' 0 CA--C 1.498 -1.034 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 176.211 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.46 ' OD1' ' CG ' ' A' ' 66' ' ' ASP . 18.8 t-20 -58.21 -39.79 79.96 Favored 'General case' 0 C--N 1.304 -1.389 0 CA-C-N 111.618 -2.537 . . . . 0.0 111.371 178.431 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.441 ' H ' ' CG ' ' A' ' 62' ' ' ASP . . . 80.8 18.6 69.87 Favored Glycine 0 CA--C 1.53 1.028 0 C-N-CA 121.452 -0.404 . . . . 0.0 112.949 178.134 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.501 ' O ' ' OE1' ' A' ' 68' ' ' GLU . 57.0 p30 -89.4 2.48 54.39 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 117.646 0.723 . . . . 0.0 112.489 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 88.71 -4.28 85.01 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.582 -1.007 . . . . 0.0 110.582 178.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.501 ' OE1' ' O ' ' A' ' 66' ' ' ASP . 53.9 mp0 -122.62 160.06 26.54 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.239 0.543 . . . . 0.0 110.868 179.594 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.414 ' HA ' ' OE1' ' A' ' 73' ' ' GLU . 74.5 t -104.14 129.68 56.02 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.632 0 N-CA-C 106.621 -1.622 . . . . 0.0 106.621 176.469 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.499 ' C ' ' OD1' ' A' ' 70' ' ' ASP . 21.6 p30 -103.44 173.32 6.36 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 120.031 -0.668 . . . . 0.0 111.155 -177.157 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -53.78 -45.66 70.74 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.156 -179.112 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -62.23 -40.81 97.37 Favored 'General case' 0 C--O 1.243 0.757 0 C-N-CA 120.248 -0.581 . . . . 0.0 111.682 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.468 ' O ' HG22 ' A' ' 76' ' ' VAL . 72.1 mt-10 -64.64 -42.01 95.75 Favored 'General case' 0 C--O 1.242 0.697 0 CA-C-O 122.329 1.062 . . . . 0.0 109.525 179.61 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.401 ' CE1' HD13 ' A' ' 36' ' ' LEU . 68.8 t80 -63.08 -41.3 99.38 Favored 'General case' 0 C--O 1.241 0.613 0 CA-C-N 114.404 -1.271 . . . . 0.0 110.169 178.537 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.611 HG13 ' HB1' ' B' ' 79' ' ' ALA . 0.5 OUTLIER -60.64 -47.59 92.3 Favored 'Isoleucine or valine' 0 C--O 1.246 0.902 0 CA-C-N 113.652 -1.613 . . . . 0.0 110.086 -178.937 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.468 HG22 ' O ' ' A' ' 73' ' ' GLU . 15.5 m -67.28 -35.21 73.25 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.512 0 C-N-CA 117.848 -1.541 . . . . 0.0 109.314 178.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.591 ' O ' HD13 ' A' ' 81' ' ' LEU . 28.8 tp -56.2 -51.56 67.62 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 118.965 -1.094 . . . . 0.0 111.727 178.181 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.9 m -68.9 -35.89 71.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 C-N-CA 118.487 -1.285 . . . . 0.0 111.894 -178.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.698 ' HB2' ' HB2' ' B' ' 79' ' ' ALA . . . -68.45 -48.65 63.99 Favored 'General case' 0 C--O 1.249 1.051 0 C-N-CA 119.028 -1.069 . . . . 0.0 111.889 -179.437 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.14 -40.18 96.82 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.111 -0.699 . . . . 0.0 109.111 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.591 HD13 ' O ' ' A' ' 77' ' ' LEU . 10.2 mp -65.09 -34.45 78.45 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 119.354 -0.939 . . . . 0.0 109.871 176.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 37.5 m -63.33 -50.54 69.63 Favored 'General case' 0 C--O 1.248 1.0 0 C-N-CA 119.772 -0.771 . . . . 0.0 111.382 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.8 p -63.55 -39.15 84.28 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 C-N-CA 119.13 -1.028 . . . . 0.0 110.75 178.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.484 ' O ' ' CD2' ' A' ' 88' ' ' PHE . . . -65.02 -34.78 79.24 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 120.296 -0.562 . . . . 0.0 109.85 178.703 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 42.1 t -62.35 -54.75 35.91 Favored 'General case' 0 CA--C 1.506 -0.744 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.366 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -56.38 -40.25 74.3 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 118.717 -1.193 . . . . 0.0 109.178 179.079 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -59.18 -40.61 86.19 Favored 'General case' 0 CA--C 1.527 0.079 0 C-N-CA 120.34 -0.544 . . . . 0.0 111.004 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.529 ' O ' ' O ' ' A' ' 91' ' ' GLU . 63.2 m-85 -68.19 -40.76 82.14 Favored 'General case' 0 CA--C 1.523 -0.095 0 C-N-CA 120.054 -0.658 . . . . 0.0 111.507 178.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -63.38 -53.45 52.32 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 119.729 -0.788 . . . . 0.0 111.408 -179.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.604 ' CZ3' ' OH ' ' B' ' 26' ' ' TYR . 28.9 t-105 -67.16 -40.24 86.61 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 121.011 0.434 . . . . 0.0 112.134 178.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.558 ' OE1' ' N ' ' A' ' 92' ' ' ASN . 2.9 tm-20 -101.96 139.5 37.52 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.564 -177.234 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.558 ' N ' ' OE1' ' A' ' 91' ' ' GLU . 22.9 t-20 -103.27 121.54 42.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.505 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.9 t . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.615 179.928 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.618 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 24.9 m -62.82 154.87 28.53 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 55.6 mp0 -61.78 -37.3 83.84 Favored 'General case' 0 C--O 1.241 0.651 0 C-N-CA 120.7 -0.4 . . . . 0.0 111.843 -179.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.498 HD22 HD21 ' A' ' 41' ' ' LEU . 5.7 tt -60.32 -40.07 89.3 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 -179.319 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.48 -37.5 87.74 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.013 178.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 44.8 m -59.06 -41.8 88.8 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.72 -45.02 88.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.503 -0.772 . . . . 0.0 110.54 179.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 99.3 mtp -59.82 -41.21 90.79 Favored 'General case' 0 C--O 1.248 1.022 0 CA-C-O 121.609 0.718 . . . . 0.0 109.706 179.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -64.87 -36.36 84.11 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.773 177.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 40.6 m -62.93 -43.51 98.59 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 119.575 -0.85 . . . . 0.0 110.314 179.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 42.9 mt -61.66 -42.34 98.78 Favored 'General case' 0 C--O 1.243 0.738 0 C-N-CA 119.316 -0.953 . . . . 0.0 108.866 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 99.5 mt -61.81 -46.86 95.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 C-N-CA 119.624 -0.83 . . . . 0.0 110.836 178.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -61.87 -40.78 96.56 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.918 0.71 . . . . 0.0 112.918 -179.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 13.9 m -72.9 -39.74 59.02 Favored 'Isoleucine or valine' 0 C--O 1.247 0.921 0 C-N-CA 118.746 -1.182 . . . . 0.0 111.007 -179.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -60.99 -48.14 83.21 Favored 'General case' 0 C--N 1.343 0.288 0 C-N-CA 118.506 -1.277 . . . . 0.0 110.204 177.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -62.97 -36.25 82.87 Favored 'General case' 0 CA--C 1.505 -0.782 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.066 178.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.594 ' O ' ' HB2' ' B' ' 21' ' ' LYS . . . -55.2 -50.69 68.73 Favored 'General case' 0 CA--C 1.494 -1.194 0 C-N-CA 118.822 -1.151 . . . . 0.0 108.666 -179.354 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 1.043 ' ND1' HD11 ' B' ' 28' ' ' LEU . 14.0 t-80 -76.64 -55.52 5.43 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 116.166 1.913 . . . . 0.0 116.166 -177.743 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.427 ' OG ' ' O ' ' B' ' 25' ' ' LYS . 23.1 t -58.96 -41.22 86.97 Favored 'General case' 0 CA--C 1.512 -0.511 0 C-N-CA 118.91 -1.116 . . . . 0.0 107.999 -179.152 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.54 -43.44 94.61 Favored Glycine 0 C--N 1.347 1.187 0 O-C-N 124.814 1.321 . . . . 0.0 111.189 178.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.594 ' HB2' ' O ' ' B' ' 17' ' ' ALA . 5.4 ttpm? -60.05 -44.14 94.9 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 -178.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -131.88 141.87 49.51 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 -177.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 63.79 -131.49 40.26 Favored Glycine 0 CA--C 1.524 0.641 0 CA-C-N 115.148 -0.933 . . . . 0.0 112.948 177.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -79.27 125.11 29.06 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.043 -0.578 . . . . 0.0 110.272 -179.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.427 ' O ' ' OG ' ' B' ' 19' ' ' SER . 35.3 mtmt -58.56 -32.32 68.8 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.307 -0.86 . . . . 0.0 112.922 -177.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.604 ' OH ' ' CZ3' ' A' ' 90' ' ' TRP . 97.3 m-85 -107.96 19.7 19.69 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 -178.117 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.424 ' NZ ' ' OD2' ' B' ' 66' ' ' ASP . 34.9 tptt -143.21 145.66 32.97 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 119.064 -1.054 . . . . 0.0 109.444 179.176 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 1.043 HD11 ' ND1' ' B' ' 18' ' ' HIS . 5.7 tp -112.32 128.9 56.41 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 119.967 -0.693 . . . . 0.0 110.036 -177.598 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 23.5 t -103.69 156.93 17.42 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 5.3 ttpm? -53.77 -47.19 70.98 Favored 'General case' 0 C--O 1.245 0.848 0 CA-C-O 121.392 0.615 . . . . 0.0 111.912 -177.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.598 ' CG ' ' N ' ' B' ' 32' ' ' GLU . 54.8 pttt -59.42 -47.55 85.04 Favored 'General case' 0 N--CA 1.441 -0.912 0 C-N-CA 119.893 -0.723 . . . . 0.0 109.434 -178.75 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.672 ' O ' ' NE2' ' B' ' 18' ' ' HIS . 94.8 mt-10 -62.66 -48.8 77.74 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 115.042 -0.981 . . . . 0.0 112.166 -178.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.8 pp -62.23 -33.48 74.67 Favored 'General case' 0 CA--C 1.499 -1.006 0 C-N-CA 118.513 -1.275 . . . . 0.0 110.386 -179.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.684 ' NZ ' ' NE2' ' B' ' 38' ' ' GLN . 1.1 tptp -53.52 -37.0 62.38 Favored 'General case' 0 N--CA 1.439 -0.995 0 C-N-CA 117.466 -1.694 . . . . 0.0 107.636 177.524 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.878 ' O ' HG23 ' B' ' 39' ' ' THR . 97.1 mt-10 -74.66 -42.85 57.74 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 178.71 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.813 HD23 ' O ' ' B' ' 36' ' ' LEU . 3.8 tt -62.99 -45.84 90.5 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 118.681 -1.207 . . . . 0.0 110.889 -177.549 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.586 ' O ' ' O ' ' B' ' 41' ' ' LEU . 1.3 mm? -61.74 -43.61 98.53 Favored 'General case' 0 CA--C 1.514 -0.42 0 C-N-CA 118.787 -1.165 . . . . 0.0 111.073 -178.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.684 ' NE2' ' NZ ' ' B' ' 34' ' ' LYS . 96.1 mt-30 -62.83 -37.7 87.84 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.118 -0.633 . . . . 0.0 111.031 178.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.878 HG23 ' O ' ' B' ' 35' ' ' GLU . 72.9 p -70.89 -34.04 71.17 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 120.648 -0.421 . . . . 0.0 112.038 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -102.59 -58.98 1.78 Allowed 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 113.032 0.752 . . . . 0.0 113.032 -179.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.586 ' O ' ' O ' ' B' ' 37' ' ' LEU . 31.4 mt -98.24 142.59 29.71 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.321 0.581 . . . . 0.0 111.133 -178.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.547 ' OG ' ' N ' ' B' ' 43' ' ' GLY . 82.9 p -110.89 -76.98 0.59 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.199 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . 0.547 ' N ' ' OG ' ' B' ' 42' ' ' SER . . . -56.74 -35.61 68.4 Favored Glycine 0 CA--C 1.529 0.958 0 CA-C-N 115.683 -0.69 . . . . 0.0 113.923 -178.402 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -61.28 -59.09 5.83 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 118.144 0.972 . . . . 0.0 112.649 -177.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.55 HD13 ' O ' ' B' ' 45' ' ' LEU . 0.2 OUTLIER -72.02 -39.49 69.14 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 121.5 0.667 . . . . 0.0 109.706 -179.898 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.448 ' CB ' ' O ' ' B' ' 42' ' ' SER . 59.1 t0 -62.4 -27.14 68.88 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 114.885 -1.052 . . . . 0.0 111.945 179.078 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . 0.51 ' HB2' ' O ' ' B' ' 43' ' ' GLY . . . -53.21 -26.59 18.13 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.164 -0.471 . . . . 0.0 112.024 -176.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -85.7 117.4 24.56 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 119.296 -0.962 . . . . 0.0 109.717 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -62.96 -35.88 81.62 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 -179.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -69.36 142.33 53.99 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -177.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 4.4 m -74.13 -27.63 22.28 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.136 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.625 178.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -80.71 2.78 24.58 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.354 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.542 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -56.89 -37.51 71.48 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 115.142 -0.935 . . . . 0.0 109.848 -179.525 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.566 HG13 ' N ' ' B' ' 55' ' ' ASP . 10.5 p -60.91 -42.88 94.41 Favored 'Isoleucine or valine' 0 C--O 1.242 0.664 0 C-N-CA 119.799 -0.761 . . . . 0.0 110.31 178.485 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.566 ' N ' HG13 ' B' ' 54' ' ' VAL . 86.8 m-20 -60.44 -44.3 95.95 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 120.009 -0.676 . . . . 0.0 109.218 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 69.3 mttm -63.77 -39.45 94.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.487 179.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.542 HG23 ' O ' ' B' ' 53' ' ' ALA . 67.6 t -65.34 -47.05 88.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 -177.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 1.6 ppp? -66.98 -34.17 77.16 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 -178.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 36.3 mmtt -60.63 -40.41 91.86 Favored 'General case' 0 N--CA 1.463 0.184 0 C-N-CA 119.281 -0.968 . . . . 0.0 111.095 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -64.59 -40.41 95.48 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.728 179.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' B' ' 63' ' ' GLU . 79.6 mt -68.29 -34.7 76.63 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.476 -0.784 . . . . 0.0 112.41 -179.325 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.439 ' CG ' ' H ' ' B' ' 65' ' ' GLY . 44.5 t0 -69.99 72.05 0.4 Allowed 'General case' 0 N--CA 1.446 -0.647 0 C-N-CA 118.51 -1.276 . . . . 0.0 110.327 -178.254 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' B' ' 61' ' ' LEU . 87.6 tt0 -63.7 -38.47 91.25 Favored 'General case' 0 CA--C 1.498 -1.038 0 CA-C-O 123.104 1.431 . . . . 0.0 107.155 176.18 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.464 ' OD1' ' CG ' ' B' ' 66' ' ' ASP . 18.8 t-20 -58.21 -39.74 79.8 Favored 'General case' 0 N--CA 1.43 -1.426 0 CA-C-N 111.605 -2.543 . . . . 0.0 111.41 178.465 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.439 ' H ' ' CG ' ' B' ' 62' ' ' ASP . . . 80.8 18.49 70.14 Favored Glycine 0 CA--C 1.531 1.056 0 C-N-CA 121.362 -0.446 . . . . 0.0 112.964 178.088 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.5 ' O ' ' OE1' ' B' ' 68' ' ' GLU . 57.3 p30 -89.28 2.46 54.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 117.652 0.726 . . . . 0.0 112.503 -179.704 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 88.72 -4.35 85.0 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.558 -1.017 . . . . 0.0 110.558 178.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.5 ' OE1' ' O ' ' B' ' 66' ' ' ASP . 53.9 mp0 -122.51 160.07 26.38 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-O 121.212 0.529 . . . . 0.0 110.945 179.554 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.407 ' HA ' ' OE1' ' B' ' 73' ' ' GLU . 73.8 t -104.07 129.85 55.64 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.591 0 N-CA-C 106.702 -1.592 . . . . 0.0 106.702 176.368 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.487 ' C ' ' OD1' ' B' ' 70' ' ' ASP . 21.1 p30 -103.76 173.14 6.43 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 120.083 -0.647 . . . . 0.0 111.274 -177.213 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -53.64 -45.59 70.24 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.205 -179.022 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -62.41 -40.72 97.43 Favored 'General case' 0 C--O 1.243 0.732 0 C-N-CA 120.164 -0.614 . . . . 0.0 111.639 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.457 ' O ' HG22 ' B' ' 76' ' ' VAL . 72.3 mt-10 -64.67 -41.96 95.72 Favored 'General case' 0 C--O 1.241 0.646 0 CA-C-O 122.322 1.058 . . . . 0.0 109.551 179.573 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 68.8 t80 -63.16 -41.21 99.21 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-N 114.375 -1.284 . . . . 0.0 110.145 178.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.603 HG13 ' HB1' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -60.77 -47.53 92.78 Favored 'Isoleucine or valine' 0 C--O 1.246 0.881 0 CA-C-N 113.666 -1.606 . . . . 0.0 110.126 -178.938 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.457 HG22 ' O ' ' B' ' 73' ' ' GLU . 15.5 m -67.34 -35.24 73.16 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 C-N-CA 117.886 -1.526 . . . . 0.0 109.244 178.708 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.593 ' O ' HD13 ' B' ' 81' ' ' LEU . 28.3 tp -56.16 -51.52 67.7 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 118.919 -1.112 . . . . 0.0 111.772 178.197 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.404 ' O ' ' OG1' ' B' ' 82' ' ' THR . 33.9 m -68.93 -35.79 70.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 C-N-CA 118.396 -1.322 . . . . 0.0 111.905 -178.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.698 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . . . -68.55 -48.58 63.92 Favored 'General case' 0 C--O 1.249 1.035 0 C-N-CA 119.015 -1.074 . . . . 0.0 111.872 -179.422 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.18 -40.09 96.53 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.593 HD13 ' O ' ' B' ' 77' ' ' LEU . 10.1 mp -65.01 -34.6 78.82 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 119.358 -0.937 . . . . 0.0 109.861 176.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.404 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 38.5 m -63.3 -50.48 69.93 Favored 'General case' 0 C--O 1.248 0.998 0 C-N-CA 119.752 -0.779 . . . . 0.0 111.342 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 13.9 p -63.58 -39.2 84.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 119.138 -1.025 . . . . 0.0 110.74 178.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.484 ' O ' ' CD2' ' B' ' 88' ' ' PHE . . . -65.03 -34.73 79.13 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 120.282 -0.567 . . . . 0.0 109.793 178.71 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 42.1 t -62.37 -54.64 37.43 Favored 'General case' 0 CA--C 1.505 -0.776 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.432 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -56.48 -40.27 74.63 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 118.733 -1.187 . . . . 0.0 109.135 179.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -59.23 -40.55 86.23 Favored 'General case' 0 C--O 1.231 0.098 0 C-N-CA 120.283 -0.567 . . . . 0.0 111.033 179.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.54 ' O ' ' O ' ' B' ' 91' ' ' GLU . 63.3 m-85 -68.13 -40.81 82.37 Favored 'General case' 0 CA--C 1.523 -0.093 0 C-N-CA 120.106 -0.638 . . . . 0.0 111.478 178.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -63.42 -53.38 53.28 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 119.71 -0.796 . . . . 0.0 111.381 -178.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.607 ' CH2' ' OH ' ' A' ' 26' ' ' TYR . 28.7 t-105 -67.19 -40.27 86.51 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-O 120.987 0.422 . . . . 0.0 112.122 178.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.549 ' OE1' ' N ' ' B' ' 92' ' ' ASN . 2.9 tm-20 -101.87 139.4 37.56 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.622 -177.256 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . 0.549 ' N ' ' OE1' ' B' ' 91' ' ' GLU . 22.7 t-20 -103.18 121.53 42.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.539 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 2.9 t . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 118.065 -0.969 . . . . 0.0 110.585 179.99 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 201' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.557 ' O ' ' OE1' ' B' ' 40' ' ' GLU . . . . . . . . 0 CA--C 1.525 0.658 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.4 p -68.28 -15.38 63.55 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.668 -0.266 . . . . 0.0 111.075 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -59.85 -40.85 89.95 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 -176.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.588 HD23 ' O ' ' A' ' 4' ' ' LEU . 5.6 tt -65.76 -42.04 91.36 Favored 'General case' 0 C--O 1.242 0.681 0 C-N-CA 118.127 -1.429 . . . . 0.0 108.061 179.753 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.443 ' C ' ' OE1' ' A' ' 5' ' ' GLU . 6.1 tm-20 -63.9 -40.05 95.59 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 114.342 -1.299 . . . . 0.0 109.277 179.52 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 43.4 m -60.23 -40.36 89.92 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.463 178.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.73 -44.76 92.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.081 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 98.4 mtp -59.52 -41.19 89.4 Favored 'General case' 0 C--O 1.248 1.019 0 CA-C-O 121.736 0.779 . . . . 0.0 109.453 179.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -64.75 -35.68 81.85 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.139 178.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 54.3 m -64.42 -43.07 95.54 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 119.744 -0.782 . . . . 0.0 110.257 179.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 36.8 mt -62.07 -42.29 99.05 Favored 'General case' 0 C--O 1.242 0.699 0 C-N-CA 119.053 -1.059 . . . . 0.0 108.734 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.481 HG23 ' ND2' ' B' ' 86' ' ' ASN . 98.0 mt -61.72 -45.69 98.14 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 C-N-CA 119.682 -0.807 . . . . 0.0 111.216 178.51 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -62.02 -41.4 98.03 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 -178.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.8 m -73.36 -41.24 57.26 Favored 'Isoleucine or valine' 0 C--O 1.256 1.414 0 C-N-CA 119.267 -0.973 . . . . 0.0 111.185 -179.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -60.39 -47.57 85.49 Favored 'General case' 0 CA--C 1.512 -0.488 0 C-N-CA 119.107 -1.037 . . . . 0.0 109.84 177.189 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -62.7 -35.47 79.8 Favored 'General case' 0 CA--C 1.5 -0.953 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.615 178.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.552 ' O ' ' HB2' ' A' ' 21' ' ' LYS . . . -57.4 -51.36 69.73 Favored 'General case' 0 N--CA 1.435 -1.223 0 C-N-CA 118.753 -1.179 . . . . 0.0 109.599 -179.128 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.486 ' HB2' HD12 ' A' ' 36' ' ' LEU . 33.8 m80 -78.39 -54.04 6.62 Favored 'General case' 0 C--O 1.245 0.861 0 N-CA-C 114.895 1.443 . . . . 0.0 114.895 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.506 ' OG ' ' O ' ' A' ' 25' ' ' LYS . 23.1 t -57.86 -41.91 83.4 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 118.393 -1.323 . . . . 0.0 108.739 -178.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.15 -43.87 92.31 Favored Glycine 0 C--N 1.342 0.914 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.722 178.246 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.552 ' HB2' ' O ' ' A' ' 17' ' ' ALA . 7.4 ttpm? -59.77 -42.66 93.79 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 113.302 0.853 . . . . 0.0 113.302 -179.004 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -129.72 142.76 50.65 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 -177.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.49 -130.1 49.74 Favored Glycine 0 CA--C 1.523 0.564 0 CA-C-N 115.209 -0.905 . . . . 0.0 113.406 177.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -79.27 124.99 28.9 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 114.868 -0.666 . . . . 0.0 110.119 -179.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.506 ' O ' ' OG ' ' A' ' 19' ' ' SER . 34.4 mtmt -58.36 -31.27 67.45 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.212 -0.904 . . . . 0.0 112.842 -177.563 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.621 ' OH ' ' CD2' ' B' ' 90' ' ' TRP . 93.2 m-85 -105.93 18.31 22.3 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 -177.496 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.3 tptt -140.45 139.44 35.2 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 119.662 -0.815 . . . . 0.0 109.236 178.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.9 tp -108.67 128.37 54.8 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.371 -177.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 95.1 p -103.35 165.55 10.96 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.016 -179.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -53.2 -46.83 69.18 Favored 'General case' 0 C--O 1.24 0.568 0 CA-C-O 120.936 0.398 . . . . 0.0 111.936 -178.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.434 ' HG3' ' N ' ' A' ' 32' ' ' GLU . 14.8 ptpt -60.69 -39.56 88.91 Favored 'General case' 0 N--CA 1.439 -1.011 0 C-N-CA 119.576 -0.849 . . . . 0.0 109.7 -178.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.434 ' N ' ' HG3' ' A' ' 31' ' ' LYS . 96.9 mt-10 -68.2 -52.46 34.02 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 119.679 -0.808 . . . . 0.0 112.275 -179.493 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.402 HD22 HG21 ' A' ' 69' ' ' VAL . 0.2 OUTLIER -58.78 -36.34 74.25 Favored 'General case' 0 CA--C 1.503 -0.843 0 C-N-CA 118.316 -1.353 . . . . 0.0 110.074 -179.517 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.741 ' NZ ' HE22 ' A' ' 38' ' ' GLN . 0.3 OUTLIER -55.76 -37.69 68.85 Favored 'General case' 0 N--CA 1.435 -1.216 0 C-N-CA 117.87 -1.532 . . . . 0.0 108.425 179.725 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.851 ' O ' HG23 ' A' ' 39' ' ' THR . 97.3 mt-10 -76.2 -41.17 50.36 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 178.763 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.74 HD23 ' O ' ' A' ' 36' ' ' LEU . 3.4 tt -66.88 -46.3 75.39 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 120.256 -0.578 . . . . 0.0 112.129 -176.544 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.563 ' CD2' ' N ' ' A' ' 37' ' ' LEU . 1.2 mm? -64.79 -43.11 94.27 Favored 'General case' 0 CA--C 1.518 -0.252 0 C-N-CA 118.798 -1.161 . . . . 0.0 110.867 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.741 HE22 ' NZ ' ' A' ' 34' ' ' LYS . 95.5 mt-30 -64.42 -40.04 94.99 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.6 -0.44 . . . . 0.0 112.132 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.851 HG23 ' O ' ' A' ' 35' ' ' GLU . 62.5 p -72.39 -38.21 68.52 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 120.292 -0.563 . . . . 0.0 112.292 -179.231 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.558 ' OE1' ' O ' ' B' ' 1' ' ' GLY . 78.2 mm-40 -92.65 -55.28 3.44 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 113.042 0.756 . . . . 0.0 113.042 -179.362 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.555 ' O ' ' O ' ' A' ' 37' ' ' LEU . 53.6 mt -101.47 142.85 32.23 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.255 0.55 . . . . 0.0 111.433 -179.011 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.4 t -112.91 -62.1 1.64 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.531 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.63 -38.84 92.44 Favored Glycine 0 CA--C 1.533 1.163 0 CA-C-N 116.079 -0.51 . . . . 0.0 114.346 -178.006 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -61.8 -53.29 57.95 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 118.117 0.959 . . . . 0.0 112.694 -177.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -73.08 -37.59 66.73 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 120.32 -0.552 . . . . 0.0 111.533 178.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 58.3 t0 -59.26 -30.34 68.21 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.962 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.8 -32.08 63.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.785 -177.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -96.78 116.93 29.98 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 119.32 -0.952 . . . . 0.0 109.268 179.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -63.79 -37.47 87.47 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 114.244 1.201 . . . . 0.0 114.244 -178.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -72.43 142.59 48.65 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -177.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.467 ' O ' HG12 ' A' ' 54' ' ' VAL . 4.9 m -72.26 -28.27 28.64 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 177.46 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -60.74 -24.41 65.7 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 114.298 -1.319 . . . . 0.0 108.912 178.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.424 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -51.85 -35.47 44.82 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.672 -1.149 . . . . 0.0 110.764 -178.13 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.614 HG13 ' N ' ' A' ' 55' ' ' ASP . 7.3 p -58.85 -44.84 91.46 Favored 'Isoleucine or valine' 0 C--O 1.236 0.393 0 C-N-CA 119.259 -0.977 . . . . 0.0 109.567 178.681 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.614 ' N ' HG13 ' A' ' 54' ' ' VAL . 92.4 m-20 -62.98 -42.07 99.73 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.923 178.614 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -59.67 -39.48 84.61 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.019 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 53' ' ' ALA . 72.0 t -65.35 -44.92 94.59 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 C-N-CA 120.412 -0.515 . . . . 0.0 110.397 179.202 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -71.14 -33.05 69.7 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 114.473 1.286 . . . . 0.0 114.473 -178.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.3 mtmm -58.21 -40.91 82.83 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 119.704 -0.798 . . . . 0.0 113.006 -177.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -71.25 -34.74 71.01 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 119.667 -0.813 . . . . 0.0 110.186 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.449 ' O ' ' CD ' ' A' ' 73' ' ' GLU . 88.1 mt -67.49 -34.71 77.7 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-N 115.508 -0.769 . . . . 0.0 112.291 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -72.08 84.65 1.0 Allowed 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 118.561 -1.255 . . . . 0.0 111.279 -177.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -63.51 -47.41 81.78 Favored 'General case' 0 CA--C 1.505 -0.766 0 CA-C-O 122.52 1.152 . . . . 0.0 110.738 176.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 31.9 m120 -59.33 -35.48 73.92 Favored 'General case' 0 C--N 1.3 -1.559 0 CA-C-N 112.656 -2.065 . . . . 0.0 111.336 -179.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.78 17.32 70.66 Favored Glycine 0 CA--C 1.521 0.408 0 N-CA-C 108.429 -1.869 . . . . 0.0 108.429 -177.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.525 ' O ' ' OE1' ' A' ' 68' ' ' GLU . 24.5 p-10 -86.49 0.97 53.12 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 -178.414 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 82.62 2.45 90.63 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 178.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.525 ' OE1' ' O ' ' A' ' 66' ' ' ASP . 53.0 mp0 -120.0 156.69 30.38 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-O 121.513 0.673 . . . . 0.0 112.083 179.719 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.402 HG21 HD22 ' A' ' 33' ' ' LEU . 45.5 t -106.63 131.51 56.25 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.497 0 N-CA-C 107.216 -1.402 . . . . 0.0 107.216 176.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.546 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 51.3 t0 -101.28 160.82 14.09 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.088 0.47 . . . . 0.0 111.325 -178.169 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.546 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 1.0 OUTLIER -50.3 -44.48 54.07 Favored 'General case' 0 C--O 1.218 -0.594 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.451 -178.393 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -62.22 -40.62 96.74 Favored 'General case' 0 C--O 1.245 0.861 0 C-N-CA 119.898 -0.721 . . . . 0.0 111.011 178.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.473 ' O ' HG22 ' A' ' 76' ' ' VAL . 86.5 mt-10 -64.4 -42.21 96.21 Favored 'General case' 0 C--O 1.241 0.643 0 CA-C-O 122.375 1.084 . . . . 0.0 109.531 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -63.32 -41.36 98.91 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-N 114.352 -1.295 . . . . 0.0 110.222 178.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.629 HG13 ' HB1' ' B' ' 79' ' ' ALA . 0.5 OUTLIER -60.28 -48.08 89.66 Favored 'Isoleucine or valine' 0 C--O 1.248 0.977 0 CA-C-N 113.684 -1.598 . . . . 0.0 109.816 -178.841 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.473 HG22 ' O ' ' A' ' 73' ' ' GLU . 15.8 m -67.33 -34.49 69.25 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.557 0 C-N-CA 117.911 -1.515 . . . . 0.0 109.366 178.59 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.716 ' O ' HD13 ' A' ' 81' ' ' LEU . 24.8 tp -57.29 -50.78 71.84 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 118.903 -1.119 . . . . 0.0 111.651 178.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.401 ' O ' ' OG1' ' A' ' 82' ' ' THR . 33.5 m -69.43 -35.85 68.89 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.286 0 C-N-CA 118.718 -1.193 . . . . 0.0 111.678 -179.122 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.734 ' HB2' ' HB2' ' B' ' 79' ' ' ALA . . . -68.57 -48.97 62.86 Favored 'General case' 0 C--O 1.25 1.084 0 C-N-CA 118.987 -1.085 . . . . 0.0 111.765 -179.395 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.09 -39.36 94.49 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.037 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.716 HD13 ' O ' ' A' ' 77' ' ' LEU . 10.1 mp -65.7 -34.33 77.95 Favored 'General case' 0 C--O 1.219 -0.533 0 C-N-CA 119.299 -0.96 . . . . 0.0 109.84 176.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 38.2 m -63.36 -50.21 70.85 Favored 'General case' 0 C--O 1.248 0.976 0 C-N-CA 119.723 -0.791 . . . . 0.0 111.399 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.478 ' O ' ' OD1' ' A' ' 87' ' ' ASN . 12.9 p -63.88 -39.22 84.62 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 119.127 -1.029 . . . . 0.0 110.64 178.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.78 -30.12 70.71 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-O 121.092 0.472 . . . . 0.0 109.904 178.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.523 ' C ' ' SD ' ' A' ' 201' ' ' HCS . 34.1 t -68.36 -55.29 12.54 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 115.514 -0.767 . . . . 0.0 109.748 -179.65 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.49 ' ND2' HG23 ' B' ' 12' ' ' ILE . 53.7 t-20 -56.66 -40.23 75.12 Favored 'General case' 0 C--O 1.24 0.586 0 C-N-CA 118.262 -1.375 . . . . 0.0 108.496 178.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.691 ' O ' ' HB2' ' A' ' 91' ' ' GLU . 23.9 m120 -58.86 -40.37 84.11 Favored 'General case' 0 C--O 1.2 -1.509 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 177.614 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.56 ' O ' ' O ' ' A' ' 91' ' ' GLU . 68.4 t80 -63.56 -40.58 97.36 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 118.31 -1.356 . . . . 0.0 110.502 178.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -64.23 -60.76 2.81 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 120.026 -0.67 . . . . 0.0 112.294 -178.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.62 ' CD2' ' OH ' ' B' ' 26' ' ' TYR . 20.3 t-105 -69.03 -43.98 73.63 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 119.748 -0.781 . . . . 0.0 111.449 179.058 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.691 ' HB2' ' O ' ' A' ' 87' ' ' ASN . 93.8 mt-10 -97.97 144.62 27.31 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.306 -1.315 . . . . 0.0 111.663 -179.648 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 93' ' ' SER . 48.4 t30 57.09 45.13 21.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.476 179.472 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 92' ' ' ASN . 18.8 p . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 117.974 -1.013 . . . . 0.0 110.514 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . 0.558 ' O ' ' OE1' ' A' ' 40' ' ' GLU . . . . . . . . 0 CA--C 1.524 0.624 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 83.4 p -68.2 -15.36 63.55 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.652 -0.274 . . . . 0.0 111.108 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -59.93 -40.88 90.38 Favored 'General case' 0 C--O 1.233 0.228 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 -176.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.578 HD23 ' O ' ' B' ' 4' ' ' LEU . 5.6 tt -65.65 -42.13 91.75 Favored 'General case' 0 C--O 1.241 0.629 0 C-N-CA 118.166 -1.413 . . . . 0.0 108.046 179.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.448 ' OE1' ' C ' ' B' ' 5' ' ' GLU . 6.1 tm-20 -63.93 -39.99 95.42 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 114.274 -1.33 . . . . 0.0 109.231 179.616 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 44.2 m -60.3 -40.24 89.82 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.439 178.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.81 -44.75 92.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.059 179.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 98.3 mtp -59.6 -41.16 89.69 Favored 'General case' 0 C--O 1.248 1.016 0 CA-C-O 121.76 0.79 . . . . 0.0 109.529 179.114 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -64.62 -36.52 84.53 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.004 178.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 50.7 m -63.48 -43.44 97.28 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 119.852 -0.739 . . . . 0.0 110.387 179.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 41.3 mt -61.98 -42.29 98.98 Favored 'General case' 0 C--O 1.242 0.667 0 C-N-CA 119.163 -1.015 . . . . 0.0 108.727 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.49 HG23 ' ND2' ' A' ' 86' ' ' ASN . 98.0 mt -61.54 -45.8 97.89 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 C-N-CA 119.681 -0.808 . . . . 0.0 111.284 178.467 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -62.01 -41.37 98.0 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.956 0.724 . . . . 0.0 112.956 -178.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 15.0 m -73.41 -41.22 56.92 Favored 'Isoleucine or valine' 0 C--O 1.256 1.396 0 C-N-CA 119.261 -0.975 . . . . 0.0 111.143 -179.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -60.4 -47.58 85.49 Favored 'General case' 0 CA--C 1.513 -0.48 0 C-N-CA 119.074 -1.05 . . . . 0.0 109.856 177.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -62.74 -35.35 79.48 Favored 'General case' 0 CA--C 1.501 -0.934 0 CA-C-N 115.219 -0.9 . . . . 0.0 109.582 178.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.555 ' O ' ' HB2' ' B' ' 21' ' ' LYS . . . -57.48 -51.32 69.91 Favored 'General case' 0 N--CA 1.436 -1.133 0 C-N-CA 118.72 -1.192 . . . . 0.0 109.562 -179.148 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.498 ' HB2' HD12 ' B' ' 36' ' ' LEU . 33.7 m80 -78.32 -54.12 6.55 Favored 'General case' 0 C--O 1.245 0.833 0 N-CA-C 114.881 1.437 . . . . 0.0 114.881 -179.677 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.493 ' OG ' ' O ' ' B' ' 25' ' ' LYS . 23.1 t -57.82 -42.01 83.43 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 118.389 -1.324 . . . . 0.0 108.739 -178.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.14 -43.88 92.31 Favored Glycine 0 C--N 1.343 0.968 0 CA-C-N 115.185 -0.916 . . . . 0.0 111.666 178.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.555 ' HB2' ' O ' ' B' ' 17' ' ' ALA . 7.4 ttpm? -59.68 -42.77 93.65 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 -179.002 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -129.68 142.82 50.65 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 113.981 1.104 . . . . 0.0 113.981 -177.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.48 -130.19 49.9 Favored Glycine 0 CA--C 1.523 0.567 0 CA-C-N 115.222 -0.899 . . . . 0.0 113.364 177.036 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -79.18 124.99 28.86 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 114.894 -0.653 . . . . 0.0 110.082 -179.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.493 ' O ' ' OG ' ' B' ' 19' ' ' SER . 34.5 mtmt -58.34 -31.25 67.4 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.139 -0.937 . . . . 0.0 112.863 -177.636 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.62 ' OH ' ' CD2' ' A' ' 90' ' ' TRP . 93.2 m-85 -105.87 18.28 22.36 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 -177.525 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 35.7 tptt -140.39 139.55 35.34 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 119.599 -0.84 . . . . 0.0 109.343 178.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 18.0 tp -108.84 128.36 54.83 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.289 -177.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 94.3 p -103.33 165.63 10.91 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.935 -179.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -53.2 -46.87 69.21 Favored 'General case' 0 C--O 1.241 0.612 0 CA-C-O 120.903 0.382 . . . . 0.0 111.928 -178.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.438 ' HG3' ' N ' ' B' ' 32' ' ' GLU . 14.8 ptpt -60.65 -39.65 89.1 Favored 'General case' 0 N--CA 1.439 -1.001 0 C-N-CA 119.605 -0.838 . . . . 0.0 109.692 -178.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.438 ' N ' ' HG3' ' B' ' 31' ' ' LYS . 96.9 mt-10 -68.05 -52.58 33.76 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 119.81 -0.756 . . . . 0.0 112.282 -179.548 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.4 HD22 HG21 ' B' ' 69' ' ' VAL . 0.2 OUTLIER -58.74 -36.36 74.2 Favored 'General case' 0 CA--C 1.504 -0.818 0 C-N-CA 118.312 -1.355 . . . . 0.0 110.08 -179.5 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.727 ' NZ ' HE22 ' B' ' 38' ' ' GLN . 0.3 OUTLIER -55.81 -37.63 68.9 Favored 'General case' 0 N--CA 1.434 -1.23 0 C-N-CA 117.787 -1.565 . . . . 0.0 108.42 179.77 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.853 ' O ' HG23 ' B' ' 39' ' ' THR . 97.3 mt-10 -76.16 -41.25 50.42 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 113.0 0.741 . . . . 0.0 113.0 178.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.734 HD23 ' O ' ' B' ' 36' ' ' LEU . 3.5 tt -66.86 -46.29 75.48 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 120.238 -0.585 . . . . 0.0 112.075 -176.493 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.571 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 1.2 mm? -64.91 -42.98 94.26 Favored 'General case' 0 CA--C 1.52 -0.194 0 C-N-CA 118.761 -1.176 . . . . 0.0 110.878 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.727 HE22 ' NZ ' ' B' ' 34' ' ' LYS . 95.5 mt-30 -64.55 -40.0 94.79 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.485 -0.486 . . . . 0.0 112.114 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.853 HG23 ' O ' ' B' ' 35' ' ' GLU . 63.4 p -72.3 -38.23 68.79 Favored 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 120.364 -0.534 . . . . 0.0 112.33 -179.325 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.557 ' OE1' ' O ' ' A' ' 1' ' ' GLY . 78.2 mm-40 -92.66 -55.29 3.43 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 113.041 0.756 . . . . 0.0 113.041 -179.302 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.556 ' O ' ' O ' ' B' ' 37' ' ' LEU . 54.4 mt -101.5 142.94 32.12 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.225 0.536 . . . . 0.0 111.383 -179.023 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 7.4 t -112.95 -62.12 1.63 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.55 179.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.59 -38.93 92.55 Favored Glycine 0 CA--C 1.532 1.151 0 CA-C-N 115.939 -0.573 . . . . 0.0 114.358 -178.075 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -61.75 -53.35 57.25 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 118.11 0.955 . . . . 0.0 112.689 -177.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -73.07 -37.52 66.77 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 120.346 -0.541 . . . . 0.0 111.5 178.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 58.3 t0 -59.36 -30.26 68.28 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.999 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.81 -32.1 63.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.796 -177.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 82.6 mm-40 -96.75 116.9 29.92 Favored 'General case' 0 C--O 1.232 0.142 0 C-N-CA 119.404 -0.919 . . . . 0.0 109.343 179.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -63.77 -37.57 87.85 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 114.192 1.182 . . . . 0.0 114.192 -178.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -72.24 142.55 48.97 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 113.237 0.828 . . . . 0.0 113.237 -177.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . 0.459 ' O ' HG12 ' B' ' 54' ' ' VAL . 4.8 m -72.26 -28.28 28.64 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.13 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 177.421 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -60.69 -24.45 65.64 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 114.232 -1.349 . . . . 0.0 108.933 178.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.434 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -51.93 -35.38 45.53 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 114.704 -1.134 . . . . 0.0 110.775 -178.078 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.617 HG13 ' N ' ' B' ' 55' ' ' ASP . 7.4 p -58.88 -44.79 91.5 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 C-N-CA 119.284 -0.966 . . . . 0.0 109.583 178.632 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.617 ' N ' HG13 ' B' ' 54' ' ' VAL . 92.4 m-20 -63.11 -41.93 99.47 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.911 178.655 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -59.84 -39.42 85.08 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.995 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.434 HG23 ' O ' ' B' ' 53' ' ' ALA . 72.3 t -65.45 -44.78 94.23 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 C-N-CA 120.385 -0.526 . . . . 0.0 110.4 179.188 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -71.1 -33.15 69.9 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 114.561 1.319 . . . . 0.0 114.561 -179.116 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 12.4 mtmm -58.16 -40.92 82.63 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 119.631 -0.828 . . . . 0.0 113.041 -177.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -71.22 -34.75 71.11 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 119.67 -0.812 . . . . 0.0 110.178 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.455 ' O ' ' CD ' ' B' ' 73' ' ' GLU . 88.1 mt -67.5 -34.7 77.67 Favored 'General case' 0 CA--C 1.511 -0.552 0 CA-C-N 115.509 -0.769 . . . . 0.0 112.291 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -72.14 84.65 1.02 Allowed 'General case' 0 N--CA 1.445 -0.718 0 C-N-CA 118.537 -1.265 . . . . 0.0 111.301 -177.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -63.49 -47.42 81.81 Favored 'General case' 0 CA--C 1.506 -0.744 0 CA-C-O 122.517 1.151 . . . . 0.0 110.727 176.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 31.9 m120 -59.29 -35.58 74.01 Favored 'General case' 0 C--N 1.3 -1.552 0 CA-C-N 112.692 -2.049 . . . . 0.0 111.281 -179.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.82 17.33 70.54 Favored Glycine 0 CA--C 1.521 0.442 0 N-CA-C 108.487 -1.845 . . . . 0.0 108.487 -177.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.522 ' O ' ' OE1' ' B' ' 68' ' ' GLU . 24.4 p-10 -86.54 1.04 53.03 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 112.794 0.664 . . . . 0.0 112.794 -178.367 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 82.64 2.38 90.63 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 178.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.522 ' OE1' ' O ' ' B' ' 66' ' ' ASP . 52.8 mp0 -119.98 156.79 30.17 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-O 121.448 0.642 . . . . 0.0 112.125 179.702 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.4 HG21 HD22 ' B' ' 33' ' ' LEU . 45.1 t -106.55 131.56 56.03 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.546 0 N-CA-C 107.335 -1.357 . . . . 0.0 107.335 176.719 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.538 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 50.2 t0 -100.88 160.81 14.06 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.083 0.468 . . . . 0.0 111.283 -178.123 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.538 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 1.0 OUTLIER -50.44 -44.49 55.41 Favored 'General case' 0 C--O 1.218 -0.588 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.387 -178.778 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -62.28 -40.56 96.65 Favored 'General case' 0 C--O 1.244 0.778 0 C-N-CA 119.876 -0.73 . . . . 0.0 111.051 178.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.47 ' O ' HG22 ' B' ' 76' ' ' VAL . 86.5 mt-10 -64.44 -42.08 96.2 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-O 122.422 1.106 . . . . 0.0 109.615 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -63.49 -41.19 98.57 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-N 114.333 -1.303 . . . . 0.0 110.231 178.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.637 HG13 ' HB1' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -60.45 -47.88 90.74 Favored 'Isoleucine or valine' 0 C--O 1.248 0.995 0 CA-C-N 113.725 -1.579 . . . . 0.0 109.843 -178.899 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.47 HG22 ' O ' ' B' ' 73' ' ' GLU . 15.9 m -67.54 -34.36 67.83 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 C-N-CA 117.88 -1.528 . . . . 0.0 109.343 178.587 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.728 ' O ' HD13 ' B' ' 81' ' ' LEU . 25.1 tp -57.37 -50.76 71.94 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 118.902 -1.119 . . . . 0.0 111.627 178.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 33.6 m -69.38 -35.93 69.52 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.263 0 C-N-CA 118.775 -1.17 . . . . 0.0 111.664 -179.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.734 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . . . -68.54 -49.01 62.78 Favored 'General case' 0 C--O 1.25 1.129 0 C-N-CA 118.981 -1.088 . . . . 0.0 111.759 -179.378 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.02 -39.3 94.34 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.115 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.728 HD13 ' O ' ' B' ' 77' ' ' LEU . 10.1 mp -65.66 -34.43 78.2 Favored 'General case' 0 C--O 1.218 -0.571 0 C-N-CA 119.31 -0.956 . . . . 0.0 109.828 176.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 37.8 m -63.21 -50.35 70.64 Favored 'General case' 0 C--O 1.246 0.911 0 C-N-CA 119.756 -0.778 . . . . 0.0 111.327 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.494 ' O ' ' OD1' ' B' ' 87' ' ' ASN . 12.9 p -63.9 -39.19 84.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 119.069 -1.052 . . . . 0.0 110.679 178.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.68 -30.13 70.78 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 121.099 0.476 . . . . 0.0 109.993 178.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . 0.514 ' C ' ' SD ' ' B' ' 201' ' ' HCS . 34.0 t -68.36 -55.31 12.47 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.691 -179.628 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.481 ' ND2' HG23 ' A' ' 12' ' ' ILE . 53.7 t-20 -56.73 -40.21 75.31 Favored 'General case' 0 C--O 1.24 0.575 0 C-N-CA 118.372 -1.331 . . . . 0.0 108.479 179.011 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . 0.668 ' O ' ' HB2' ' B' ' 91' ' ' GLU . 24.0 m120 -58.89 -40.37 84.25 Favored 'General case' 0 C--O 1.198 -1.616 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 177.618 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.564 ' O ' ' O ' ' B' ' 91' ' ' GLU . 68.4 t80 -63.57 -40.51 97.15 Favored 'General case' 0 C--N 1.302 -1.474 0 C-N-CA 118.23 -1.388 . . . . 0.0 110.528 178.753 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -64.23 -60.8 2.77 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 120.007 -0.677 . . . . 0.0 112.317 -178.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.621 ' CD2' ' OH ' ' A' ' 26' ' ' TYR . 20.1 t-105 -68.97 -44.02 73.76 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 119.701 -0.8 . . . . 0.0 111.434 179.012 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.668 ' HB2' ' O ' ' B' ' 87' ' ' ASN . 93.7 mt-10 -98.07 144.67 27.32 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.317 -1.31 . . . . 0.0 111.634 -179.557 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . 0.412 ' O ' ' C ' ' B' ' 93' ' ' SER . 48.5 t30 57.07 45.12 21.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.499 179.584 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . 0.412 ' C ' ' O ' ' B' ' 92' ' ' ASN . 18.8 p . . . . . 0 C--O 1.219 -0.509 0 CA-C-O 117.975 -1.012 . . . . 0.0 110.498 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' HCS . . . . . 0.523 ' SD ' ' C ' ' A' ' 85' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 201' ' ' HCS . . . . . 0.514 ' SD ' ' C ' ' B' ' 85' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.534 ' O ' ' OE1' ' B' ' 40' ' ' GLU . . . . . . . . 0 CA--C 1.525 0.676 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.7 m -82.8 10.92 6.68 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.662 0.268 . . . . 0.0 110.778 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -58.65 -38.06 77.3 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 113.199 0.815 . . . . 0.0 113.199 -177.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.723 HD23 ' O ' ' A' ' 4' ' ' LEU . 5.1 tt -64.23 -42.08 96.71 Favored 'General case' 0 C--O 1.241 0.653 0 C-N-CA 119.201 -1.0 . . . . 0.0 108.716 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.453 ' C ' ' OE1' ' A' ' 5' ' ' GLU . 6.4 tm-20 -63.72 -40.49 96.89 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 114.617 -1.174 . . . . 0.0 109.127 179.508 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 44.3 m -60.4 -39.59 87.91 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.179 178.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.59 -43.51 96.72 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.934 179.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 97.7 mtp -59.21 -41.3 88.26 Favored 'General case' 0 C--O 1.248 1.017 0 CA-C-O 121.924 0.869 . . . . 0.0 109.079 178.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -64.76 -35.35 80.78 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 114.917 -1.038 . . . . 0.0 110.151 178.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 50.3 m -64.52 -43.59 93.55 Favored 'General case' 0 N--CA 1.445 -0.681 0 C-N-CA 120.001 -0.679 . . . . 0.0 110.292 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 38.6 mt -62.24 -42.87 99.7 Favored 'General case' 0 C--O 1.24 0.565 0 C-N-CA 119.317 -0.953 . . . . 0.0 108.984 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.19 -46.18 97.04 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.118 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.49 178.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -61.98 -41.18 97.74 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 -178.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.1 m -73.51 -41.06 56.21 Favored 'Isoleucine or valine' 0 C--O 1.254 1.329 0 C-N-CA 119.138 -1.025 . . . . 0.0 111.317 -179.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -60.24 -47.06 87.6 Favored 'General case' 0 CA--C 1.514 -0.441 0 C-N-CA 119.28 -0.968 . . . . 0.0 109.491 177.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -63.33 -35.25 79.74 Favored 'General case' 0 CA--C 1.504 -0.79 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.649 177.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.56 ' O ' ' HB2' ' A' ' 21' ' ' LYS . . . -57.59 -51.2 70.48 Favored 'General case' 0 N--CA 1.436 -1.128 0 C-N-CA 118.835 -1.146 . . . . 0.0 109.621 -178.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.499 ' HB2' HD12 ' A' ' 36' ' ' LEU . 47.6 m80 -79.13 -52.86 7.61 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 114.687 1.366 . . . . 0.0 114.687 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.453 ' OG ' ' O ' ' A' ' 24' ' ' ASP . 22.7 t -57.99 -40.5 80.86 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 118.979 -1.089 . . . . 0.0 108.917 -179.081 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -71.66 -43.33 52.21 Favored Glycine 0 C--N 1.341 0.821 0 CA-C-N 115.324 -0.853 . . . . 0.0 112.486 178.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.56 ' HB2' ' O ' ' A' ' 17' ' ' ALA . 7.0 ttpm? -58.46 -44.24 89.17 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 119.941 -0.704 . . . . 0.0 111.705 -179.651 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.525 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 84.8 tt0 -135.91 139.3 43.19 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.178 -0.609 . . . . 0.0 110.832 -179.72 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.96 -163.15 52.2 Favored Glycine 0 CA--C 1.521 0.433 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 178.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.453 ' O ' ' OG ' ' A' ' 19' ' ' SER . 89.2 m-20 -67.99 142.45 55.94 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 178.729 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.434 ' HZ1' ' HH2' ' B' ' 90' ' ' TRP . 26.3 mtmt -61.1 -32.52 72.19 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.574 -0.739 . . . . 0.0 112.678 -177.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.604 ' OH ' ' CE3' ' B' ' 90' ' ' TRP . 98.8 m-85 -106.6 18.16 22.28 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 113.045 0.758 . . . . 0.0 113.045 -177.705 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.424 ' CG ' ' OE2' ' A' ' 68' ' ' GLU . 38.7 tptt -140.49 140.7 35.37 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 119.065 -1.054 . . . . 0.0 108.91 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.4 tp -117.17 131.42 56.88 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.277 -175.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 87.2 p -99.24 165.64 11.6 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 116.751 -0.204 . . . . 0.0 111.064 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.0 ttpm? -54.24 -48.39 71.17 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-O 121.226 0.536 . . . . 0.0 111.857 -177.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.586 ' HG3' ' N ' ' A' ' 32' ' ' GLU . 24.8 pttm -61.31 -47.87 83.95 Favored 'General case' 0 N--CA 1.439 -0.987 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.292 -178.722 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.586 ' N ' ' HG3' ' A' ' 31' ' ' LYS . 95.7 mt-10 -62.84 -48.91 77.01 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 120.054 -0.658 . . . . 0.0 112.09 -178.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.1 pp -61.66 -35.82 79.05 Favored 'General case' 0 CA--C 1.501 -0.929 0 C-N-CA 118.53 -1.268 . . . . 0.0 109.85 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.682 ' NZ ' ' NE2' ' A' ' 38' ' ' GLN . 1.1 tptm -55.96 -36.61 68.0 Favored 'General case' 0 N--CA 1.434 -1.226 0 C-N-CA 118.584 -1.246 . . . . 0.0 108.041 178.154 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.859 ' O ' HG23 ' A' ' 39' ' ' THR . 77.1 mm-40 -74.26 -40.41 62.37 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 179.162 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.744 HD23 ' O ' ' A' ' 36' ' ' LEU . 4.1 tt -65.7 -45.57 82.28 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 119.774 -0.77 . . . . 0.0 111.384 -177.225 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.573 ' O ' ' O ' ' A' ' 41' ' ' LEU . 1.3 mm? -64.25 -43.61 94.37 Favored 'General case' 0 N--CA 1.462 0.148 0 C-N-CA 118.941 -1.104 . . . . 0.0 111.049 179.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.682 ' NE2' ' NZ ' ' A' ' 34' ' ' LYS . 95.5 mt-30 -63.64 -39.25 93.87 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 120.454 -0.498 . . . . 0.0 111.612 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.859 HG23 ' O ' ' A' ' 35' ' ' GLU . 64.1 p -71.36 -32.87 69.03 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.571 -0.451 . . . . 0.0 111.2 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.526 ' OE1' ' O ' ' B' ' 1' ' ' GLY . 77.4 mm-40 -101.86 -59.61 1.67 Allowed 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -178.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.573 ' O ' ' O ' ' A' ' 37' ' ' LEU . 51.3 mt -99.43 141.82 31.72 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.213 0.53 . . . . 0.0 111.521 -179.146 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.6 t -113.09 -59.97 1.95 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.674 179.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.92 -39.31 93.89 Favored Glycine 0 CA--C 1.531 1.088 0 CA-C-N 116.018 -0.537 . . . . 0.0 114.215 -178.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -62.02 -52.52 63.65 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 118.029 0.914 . . . . 0.0 112.729 -178.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -73.03 -38.57 66.49 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.444 -0.502 . . . . 0.0 111.769 178.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 57.0 t0 -60.2 -30.13 69.17 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.54 -179.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.17 -29.12 60.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.093 -0.503 . . . . 0.0 112.275 -177.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 90.2 mm-40 -90.66 121.37 32.51 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 119.442 -0.903 . . . . 0.0 110.169 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -62.66 -39.16 93.03 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 113.68 0.993 . . . . 0.0 113.68 -179.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -69.69 142.35 53.38 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -177.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.3 m -74.25 -27.82 22.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.422 178.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -81.98 3.83 25.06 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.213 179.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.525 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -55.84 -36.97 68.11 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.542 -179.599 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.541 HG13 ' N ' ' A' ' 55' ' ' ASP . 8.4 p -60.79 -42.01 90.68 Favored 'Isoleucine or valine' 0 C--O 1.243 0.749 0 C-N-CA 120.106 -0.638 . . . . 0.0 109.558 178.421 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.541 ' N ' HG13 ' A' ' 54' ' ' VAL . 21.8 t70 -59.89 -42.69 94.36 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.478 -0.783 . . . . 0.0 108.986 179.004 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -63.0 -37.7 88.21 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.171 -0.922 . . . . 0.0 110.239 178.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 53' ' ' ALA . 70.9 t -63.46 -45.08 98.84 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.107 0 CA-C-N 116.065 -0.516 . . . . 0.0 112.053 -178.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.554 ' CE ' ' O ' ' A' ' 67' ' ' GLY . 1.5 ptp -65.24 -31.91 73.31 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 -178.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.1 mtmm -57.85 -42.41 84.4 Favored 'General case' 0 C--O 1.231 0.118 0 C-N-CA 119.65 -0.82 . . . . 0.0 112.298 -177.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -66.79 -39.74 87.89 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.408 0.623 . . . . 0.0 110.677 178.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 65.9 mt -68.24 -33.36 74.26 Favored 'General case' 0 CA--C 1.513 -0.47 0 CA-C-N 114.842 -1.072 . . . . 0.0 112.948 -178.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.578 ' OD2' ' N ' ' A' ' 66' ' ' ASP . 40.3 t0 -77.62 99.04 5.63 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 119.005 -1.078 . . . . 0.0 112.553 -176.604 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -67.26 -47.36 70.94 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-O 122.643 1.211 . . . . 0.0 111.221 176.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 31.4 m120 -58.8 -34.86 71.96 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-N 112.41 -2.177 . . . . 0.0 113.126 -177.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.488 ' C ' ' OD2' ' A' ' 62' ' ' ASP . . . 91.74 2.33 69.78 Favored Glycine 0 CA--C 1.528 0.855 0 N-CA-C 108.35 -1.9 . . . . 0.0 108.35 -177.128 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.67 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 47.4 p30 -62.59 -33.95 76.02 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 114.214 -0.993 . . . . 0.0 112.544 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.67 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 95.57 -2.15 64.62 Favored Glycine 0 C--O 1.226 -0.353 0 N-CA-C 109.356 -1.498 . . . . 0.0 109.356 -178.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.447 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 81.8 tt0 -113.55 143.34 44.71 Favored 'General case' 0 C--O 1.243 0.754 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 179.457 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 47.2 t -97.98 135.07 33.93 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.44 0 CA-C-N 116.137 -0.483 . . . . 0.0 112.036 -175.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.563 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 53.9 t0 -100.24 158.59 15.76 Favored 'General case' 0 N--CA 1.462 0.125 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.21 -179.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.563 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 1.0 OUTLIER -50.63 -43.96 57.2 Favored 'General case' 0 C--O 1.217 -0.62 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.63 -178.563 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.413 ' HG2' HG21 ' B' ' 83' ' ' VAL . 94.2 mt-30 -61.51 -40.33 94.21 Favored 'General case' 0 C--O 1.244 0.766 0 C-N-CA 119.712 -0.795 . . . . 0.0 110.69 179.096 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.443 ' O ' HG22 ' A' ' 76' ' ' VAL . 92.2 mt-10 -65.07 -42.11 94.46 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-O 122.111 0.958 . . . . 0.0 109.925 179.745 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -63.22 -40.97 98.98 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-N 114.9 -1.046 . . . . 0.0 109.837 178.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.62 HG13 ' HB1' ' B' ' 79' ' ' ALA . 0.5 OUTLIER -60.37 -48.02 90.04 Favored 'Isoleucine or valine' 0 C--O 1.248 0.975 0 CA-C-N 113.686 -1.597 . . . . 0.0 110.135 -179.066 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.443 HG22 ' O ' ' A' ' 73' ' ' GLU . 14.4 m -67.47 -34.87 71.22 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.495 0 C-N-CA 117.747 -1.581 . . . . 0.0 109.25 178.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.627 ' O ' HD13 ' A' ' 81' ' ' LEU . 30.0 tp -56.21 -52.19 65.33 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 118.765 -1.174 . . . . 0.0 111.677 178.224 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 34.4 m -68.03 -36.61 76.12 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 C-N-CA 118.487 -1.285 . . . . 0.0 111.852 -179.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.718 ' HB2' ' HB2' ' B' ' 79' ' ' ALA . . . -68.9 -49.32 59.19 Favored 'General case' 0 C--O 1.248 1.007 0 C-N-CA 119.072 -1.051 . . . . 0.0 112.24 -179.109 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.92 -39.92 96.02 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.627 HD13 ' O ' ' A' ' 77' ' ' LEU . 10.7 mp -65.05 -34.48 78.53 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 119.213 -0.995 . . . . 0.0 109.71 176.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 40.0 m -62.95 -50.05 72.34 Favored 'General case' 0 C--O 1.243 0.754 0 C-N-CA 119.71 -0.796 . . . . 0.0 111.479 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.417 HG21 ' HG2' ' B' ' 72' ' ' GLN . 13.7 p -64.16 -39.3 85.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 119.188 -1.005 . . . . 0.0 110.693 178.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.563 ' O ' ' CD1' ' A' ' 88' ' ' PHE . . . -65.58 -30.58 71.33 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 121.1 0.476 . . . . 0.0 109.892 178.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 45.2 t -68.05 -54.42 18.42 Favored 'General case' 0 CA--C 1.511 -0.521 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.478 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 34.7 t30 -56.44 -41.1 75.89 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 118.744 -1.183 . . . . 0.0 108.721 179.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -59.49 -38.24 80.35 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.945 178.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.563 ' CD1' ' O ' ' A' ' 84' ' ' ALA . 4.5 m-30 -66.31 -41.23 90.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.864 179.394 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -64.59 -52.31 58.21 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.191 -0.604 . . . . 0.0 111.408 -179.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.591 ' CE3' ' OH ' ' B' ' 26' ' ' TYR . 22.8 t-105 -66.65 -39.48 88.26 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-O 121.232 0.539 . . . . 0.0 112.023 179.155 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.54 ' O ' ' O ' ' A' ' 88' ' ' PHE . 4.8 tm-20 -104.42 139.38 39.44 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.935 -176.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.491 ' N ' ' OE1' ' A' ' 91' ' ' GLU . 23.6 m120 -105.79 137.81 43.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.417 179.696 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.1 t . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.627 179.957 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . 0.526 ' O ' ' OE1' ' A' ' 40' ' ' GLU . . . . . . . . 0 CA--C 1.525 0.665 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 75.7 m -82.87 10.99 6.6 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.634 0.254 . . . . 0.0 110.772 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -58.69 -38.05 77.38 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 -177.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.733 HD23 ' O ' ' B' ' 4' ' ' LEU . 5.1 tt -64.26 -42.02 96.67 Favored 'General case' 0 C--O 1.24 0.601 0 C-N-CA 119.222 -0.991 . . . . 0.0 108.72 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.452 ' OE1' ' C ' ' B' ' 5' ' ' GLU . 6.4 tm-20 -63.79 -40.48 96.77 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 114.586 -1.188 . . . . 0.0 109.034 179.526 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 44.3 m -60.42 -39.53 87.78 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.208 178.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.51 -43.54 96.9 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.964 179.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 97.7 mtp -59.35 -41.25 88.77 Favored 'General case' 0 C--O 1.25 1.101 0 CA-C-O 121.81 0.814 . . . . 0.0 109.07 178.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -64.74 -36.17 83.42 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.009 178.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 50.3 m -63.65 -43.78 95.76 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 119.922 -0.711 . . . . 0.0 110.455 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 43.8 mt -62.31 -42.75 99.63 Favored 'General case' 0 C--O 1.24 0.589 0 C-N-CA 119.367 -0.933 . . . . 0.0 108.995 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.18 -46.11 97.19 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.481 178.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -61.97 -41.26 97.81 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -178.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 14.1 m -73.49 -40.99 56.32 Favored 'Isoleucine or valine' 0 C--O 1.254 1.321 0 C-N-CA 119.092 -1.043 . . . . 0.0 111.275 -179.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -60.33 -47.08 87.59 Favored 'General case' 0 CA--C 1.512 -0.491 0 C-N-CA 119.322 -0.951 . . . . 0.0 109.444 177.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -63.38 -35.09 79.26 Favored 'General case' 0 CA--C 1.502 -0.866 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.692 177.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.549 ' O ' ' HB2' ' B' ' 21' ' ' LYS . . . -57.64 -51.17 70.62 Favored 'General case' 0 N--CA 1.437 -1.111 0 C-N-CA 118.832 -1.147 . . . . 0.0 109.62 -178.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.536 ' HB2' HD12 ' B' ' 36' ' ' LEU . 47.4 m80 -79.12 -52.95 7.5 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 114.671 1.36 . . . . 0.0 114.671 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.424 ' OG ' ' O ' ' B' ' 24' ' ' ASP . 22.6 t -57.86 -40.61 80.58 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 119.022 -1.071 . . . . 0.0 108.989 -179.164 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -71.61 -43.35 52.56 Favored Glycine 0 C--N 1.341 0.81 0 CA-C-N 115.336 -0.847 . . . . 0.0 112.47 178.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.549 ' HB2' ' O ' ' B' ' 17' ' ' ALA . 7.0 ttpm? -58.58 -44.13 89.67 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 119.95 -0.7 . . . . 0.0 111.638 -179.575 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.522 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 84.7 tt0 -135.93 139.25 43.12 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.303 -0.559 . . . . 0.0 110.962 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.93 -163.06 52.17 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 178.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.424 ' O ' ' OG ' ' B' ' 19' ' ' SER . 88.9 m-20 -68.05 142.47 55.86 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 178.711 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 26.2 mtmt -61.17 -32.54 72.28 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.54 -0.755 . . . . 0.0 112.588 -177.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.591 ' OH ' ' CE3' ' A' ' 90' ' ' TRP . 98.7 m-85 -106.47 18.15 22.35 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 -177.75 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.422 ' CG ' ' OE2' ' B' ' 68' ' ' GLU . 39.6 tptt -140.41 140.82 35.54 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 119.083 -1.047 . . . . 0.0 109.044 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 14.5 tp -117.29 131.5 56.8 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.184 -175.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 87.4 p -99.35 165.64 11.57 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 116.792 -0.185 . . . . 0.0 111.078 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 5.0 ttpm? -54.28 -48.41 71.28 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 121.218 0.532 . . . . 0.0 111.908 -177.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.579 ' HG3' ' N ' ' B' ' 32' ' ' GLU . 24.8 pttm -61.34 -47.82 84.14 Favored 'General case' 0 N--CA 1.439 -0.999 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.263 -178.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.579 ' N ' ' HG3' ' B' ' 31' ' ' LYS . 95.7 mt-10 -62.74 -49.02 76.67 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 120.01 -0.676 . . . . 0.0 112.097 -178.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.1 pp -61.55 -35.94 79.2 Favored 'General case' 0 CA--C 1.5 -0.959 0 C-N-CA 118.53 -1.268 . . . . 0.0 109.841 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.694 ' NZ ' HE22 ' B' ' 38' ' ' GLN . 1.0 OUTLIER -55.82 -36.63 67.67 Favored 'General case' 0 N--CA 1.434 -1.263 0 C-N-CA 118.597 -1.241 . . . . 0.0 108.198 178.146 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.875 ' O ' HG23 ' B' ' 39' ' ' THR . 77.2 mm-40 -74.27 -40.41 62.35 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 179.118 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.746 HD23 ' O ' ' B' ' 36' ' ' LEU . 4.2 tt -65.62 -45.64 82.35 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 119.773 -0.771 . . . . 0.0 111.428 -177.215 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.574 ' O ' ' O ' ' B' ' 41' ' ' LEU . 1.3 mm? -64.25 -43.57 94.48 Favored 'General case' 0 N--CA 1.462 0.175 0 C-N-CA 118.89 -1.124 . . . . 0.0 111.083 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.694 HE22 ' NZ ' ' B' ' 34' ' ' LYS . 95.5 mt-30 -63.62 -39.27 93.93 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.486 -0.486 . . . . 0.0 111.648 179.671 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.875 HG23 ' O ' ' B' ' 35' ' ' GLU . 64.6 p -71.38 -32.87 68.98 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.578 -0.449 . . . . 0.0 111.181 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.534 ' OE1' ' O ' ' A' ' 1' ' ' GLY . 77.4 mm-40 -101.8 -59.65 1.67 Allowed 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 113.361 0.875 . . . . 0.0 113.361 -178.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.574 ' O ' ' O ' ' B' ' 37' ' ' LEU . 51.8 mt -99.52 141.73 31.93 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.271 0.558 . . . . 0.0 111.506 -179.075 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 2.6 t -112.99 -59.92 1.95 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.73 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.96 -39.36 94.06 Favored Glycine 0 CA--C 1.531 1.051 0 CA-C-N 115.973 -0.558 . . . . 0.0 114.136 -178.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -62.11 -52.41 63.99 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 118.052 0.926 . . . . 0.0 112.726 -177.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -73.04 -38.58 66.46 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 120.394 -0.522 . . . . 0.0 111.727 178.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 57.0 t0 -60.21 -30.04 69.13 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.617 -179.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.22 -29.14 60.57 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.338 0.495 . . . . 0.0 112.338 -177.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 90.2 mm-40 -90.55 121.35 32.41 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 119.439 -0.905 . . . . 0.0 110.179 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -62.66 -39.18 93.1 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 -179.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -69.7 142.34 53.36 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -177.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 4.4 m -74.3 -27.72 21.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.39 178.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -82.01 3.81 25.23 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.214 179.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.527 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -55.88 -36.9 68.15 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.519 -179.541 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.543 HG13 ' N ' ' B' ' 55' ' ' ASP . 8.4 p -60.72 -41.99 90.38 Favored 'Isoleucine or valine' 0 C--O 1.244 0.787 0 C-N-CA 120.144 -0.622 . . . . 0.0 109.605 178.328 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.543 ' N ' HG13 ' B' ' 54' ' ' VAL . 21.9 t70 -59.92 -42.79 94.68 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.466 -0.788 . . . . 0.0 108.917 179.012 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -62.81 -37.89 88.52 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.175 178.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.527 HG23 ' O ' ' B' ' 53' ' ' ALA . 71.0 t -63.48 -45.02 98.98 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.054 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.039 -178.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.542 ' CE ' ' O ' ' B' ' 67' ' ' GLY . 1.5 ptp -65.39 -31.75 73.02 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 113.345 0.869 . . . . 0.0 113.345 -178.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 19.2 mtmm -57.87 -42.43 84.55 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 119.694 -0.803 . . . . 0.0 112.27 -177.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -66.83 -39.62 87.72 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.455 0.645 . . . . 0.0 110.724 178.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 65.9 mt -68.3 -33.39 74.24 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 114.928 -1.033 . . . . 0.0 112.948 -178.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.581 ' OD2' ' N ' ' B' ' 66' ' ' ASP . 40.3 t0 -77.56 98.99 5.56 Favored 'General case' 0 C--N 1.319 -0.748 0 C-N-CA 119.04 -1.064 . . . . 0.0 112.535 -176.578 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -67.26 -47.27 71.22 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-O 122.646 1.213 . . . . 0.0 111.221 176.07 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 31.4 m120 -58.92 -34.82 72.14 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-N 112.45 -2.159 . . . . 0.0 113.029 -177.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.483 ' C ' ' OD2' ' B' ' 62' ' ' ASP . . . 91.63 2.39 69.99 Favored Glycine 0 CA--C 1.528 0.845 0 N-CA-C 108.332 -1.907 . . . . 0.0 108.332 -177.064 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.666 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 47.2 p30 -62.64 -33.93 76.02 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 114.24 -0.98 . . . . 0.0 112.514 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.666 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 95.58 -2.18 64.62 Favored Glycine 0 C--O 1.226 -0.347 0 N-CA-C 109.337 -1.505 . . . . 0.0 109.337 -178.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.425 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 82.0 tt0 -113.55 143.38 44.64 Favored 'General case' 0 C--O 1.243 0.73 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.531 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 47.4 t -98.01 135.03 34.14 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.392 0 CA-C-N 116.155 -0.475 . . . . 0.0 112.023 -175.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.562 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 53.3 t0 -99.99 158.62 15.69 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.131 -179.559 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.562 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 1.0 OUTLIER -50.77 -43.98 58.6 Favored 'General case' 0 C--O 1.217 -0.62 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.57 -178.743 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.417 ' HG2' HG21 ' A' ' 83' ' ' VAL . 94.2 mt-30 -61.42 -40.37 94.19 Favored 'General case' 0 C--O 1.243 0.753 0 C-N-CA 119.691 -0.803 . . . . 0.0 110.727 179.046 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.444 ' O ' HG22 ' B' ' 76' ' ' VAL . 92.3 mt-10 -65.04 -42.13 94.58 Favored 'General case' 0 C--O 1.243 0.711 0 CA-C-O 122.139 0.971 . . . . 0.0 109.902 179.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -63.2 -41.0 99.1 Favored 'General case' 0 C--O 1.241 0.626 0 CA-C-N 114.854 -1.066 . . . . 0.0 109.82 178.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.602 HG13 ' HB1' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -60.36 -48.08 89.78 Favored 'Isoleucine or valine' 0 C--O 1.248 0.99 0 CA-C-N 113.689 -1.596 . . . . 0.0 110.174 -179.084 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.444 HG22 ' O ' ' B' ' 73' ' ' GLU . 14.5 m -67.37 -34.88 71.6 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.544 0 C-N-CA 117.762 -1.575 . . . . 0.0 109.324 178.751 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.632 ' O ' HD13 ' B' ' 81' ' ' LEU . 30.3 tp -56.24 -52.18 65.38 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 118.758 -1.177 . . . . 0.0 111.619 178.239 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 34.5 m -68.07 -36.61 76.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 118.413 -1.315 . . . . 0.0 111.828 -178.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.718 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . . . -68.85 -49.28 59.69 Favored 'General case' 0 C--O 1.248 0.975 0 C-N-CA 118.975 -1.09 . . . . 0.0 112.3 -179.135 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.92 -39.86 95.85 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.632 HD13 ' O ' ' B' ' 77' ' ' LEU . 10.7 mp -65.06 -34.52 78.62 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 119.204 -0.998 . . . . 0.0 109.751 176.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 40.3 m -63.0 -49.95 72.66 Favored 'General case' 0 C--O 1.244 0.803 0 C-N-CA 119.678 -0.809 . . . . 0.0 111.438 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.413 HG21 ' HG2' ' A' ' 72' ' ' GLN . 13.7 p -64.21 -39.2 84.67 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 119.167 -1.013 . . . . 0.0 110.751 178.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.574 ' O ' ' CD1' ' B' ' 88' ' ' PHE . . . -65.58 -30.58 71.33 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 121.13 0.491 . . . . 0.0 109.96 178.717 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 44.8 t -68.06 -54.45 18.22 Favored 'General case' 0 CA--C 1.511 -0.526 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.495 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 34.7 t30 -56.37 -41.13 75.67 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 118.713 -1.195 . . . . 0.0 108.697 178.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -59.5 -38.22 80.34 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.939 178.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.574 ' CD1' ' O ' ' B' ' 84' ' ' ALA . 4.5 m-30 -66.42 -41.14 89.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.866 179.423 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -64.59 -52.35 58.0 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.214 -0.594 . . . . 0.0 111.404 -179.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.604 ' CE3' ' OH ' ' A' ' 26' ' ' TYR . 22.9 t-105 -66.66 -39.33 88.13 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 121.153 0.501 . . . . 0.0 111.998 179.161 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.554 ' O ' ' O ' ' B' ' 88' ' ' PHE . 4.8 tm-20 -104.61 139.34 39.61 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.842 -176.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . 0.486 ' N ' ' OE1' ' B' ' 91' ' ' GLU . 23.6 m120 -105.77 137.91 42.85 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.454 179.609 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 2.1 t . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 117.988 -1.006 . . . . 0.0 110.563 -179.965 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 201' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.624 ' O ' ' N ' ' A' ' 3' ' ' GLU . . . . . . . . 0 CA--C 1.525 0.703 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 1' ' ' GLY . 72.7 m 34.82 24.65 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.652 0.263 . . . . 0.0 111.196 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.624 ' N ' ' O ' ' A' ' 1' ' ' GLY . 42.7 tp10 -59.16 -36.64 75.64 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-O 121.119 0.485 . . . . 0.0 109.743 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.735 HD23 ' O ' ' A' ' 4' ' ' LEU . 4.8 tt -59.67 -39.82 85.73 Favored 'General case' 0 C--O 1.238 0.493 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 178.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.448 ' C ' ' OE1' ' A' ' 5' ' ' GLU . 5.6 tm-20 -61.63 -39.91 93.0 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 114.571 -1.195 . . . . 0.0 108.993 179.171 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 41.7 m -60.4 -40.84 92.37 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 108.96 -0.755 . . . . 0.0 108.96 178.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.07 -40.42 97.61 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 120.113 -0.635 . . . . 0.0 109.887 179.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 98.4 mtp -59.53 -41.28 89.64 Favored 'General case' 0 C--O 1.251 1.181 0 CA-C-O 122.133 0.968 . . . . 0.0 108.596 178.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -64.0 -35.44 80.72 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 114.63 -1.168 . . . . 0.0 109.662 177.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 73.6 m -63.86 -44.1 94.13 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 120.211 -0.596 . . . . 0.0 110.879 179.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 35.8 mt -62.18 -42.16 99.02 Favored 'General case' 0 C--O 1.239 0.538 0 C-N-CA 119.34 -0.944 . . . . 0.0 108.463 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.7 mt -61.76 -45.44 98.67 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.4 178.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -62.22 -41.98 98.88 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 -178.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.5 m -74.12 -41.24 51.91 Favored 'Isoleucine or valine' 0 C--O 1.253 1.288 0 C-N-CA 119.152 -1.019 . . . . 0.0 111.494 -179.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -60.82 -46.96 88.48 Favored 'General case' 0 CA--C 1.51 -0.586 0 C-N-CA 119.261 -0.976 . . . . 0.0 109.393 177.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -63.34 -35.69 81.23 Favored 'General case' 0 CA--C 1.5 -0.968 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.951 177.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.544 ' O ' ' HB2' ' A' ' 21' ' ' LYS . . . -57.75 -51.47 69.42 Favored 'General case' 0 N--CA 1.434 -1.266 0 C-N-CA 118.753 -1.179 . . . . 0.0 109.632 -178.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.493 ' CD2' ' HG ' ' A' ' 36' ' ' LEU . 29.9 m-70 -79.11 -52.5 8.1 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.446 ' OG ' ' C ' ' A' ' 25' ' ' LYS . 23.1 t -58.09 -40.72 81.84 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 119.232 -0.987 . . . . 0.0 109.222 -179.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -70.63 -43.62 59.78 Favored Glycine 0 C--N 1.345 1.072 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.137 178.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.544 ' HB2' ' O ' ' A' ' 17' ' ' ALA . 6.1 ttpm? -58.46 -42.38 87.32 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 119.816 -0.754 . . . . 0.0 111.317 -179.515 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.441 ' C ' ' OE2' ' A' ' 32' ' ' GLU . 77.2 mm-40 -129.97 150.17 51.37 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 120.808 -0.357 . . . . 0.0 111.63 179.21 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.97 -151.76 25.51 Favored Glycine 0 CA--C 1.524 0.64 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.949 178.062 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.426 ' O ' ' OG ' ' A' ' 19' ' ' SER . 89.2 m-20 -72.68 140.65 48.03 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 121.213 0.53 . . . . 0.0 110.434 179.407 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.447 ' HB2' ' CD2' ' A' ' 26' ' ' TYR . 47.9 mttm -61.37 -32.73 72.64 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.814 -178.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.603 ' OH ' ' CG ' ' B' ' 90' ' ' TRP . 98.6 m-85 -103.11 16.0 27.8 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.038 -0.983 . . . . 0.0 113.262 -175.437 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.426 ' CG ' ' OE2' ' A' ' 68' ' ' GLU . 41.1 tptt -143.01 141.85 31.45 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 119.148 -1.021 . . . . 0.0 108.841 179.135 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.7 tp -116.16 132.13 56.75 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 120.709 -0.396 . . . . 0.0 111.165 -176.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.2 t -101.86 160.59 14.35 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.827 -179.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.1 ttpt -52.46 -45.91 66.28 Favored 'General case' 0 CA--C 1.509 -0.597 0 C-N-CA 120.473 -0.491 . . . . 0.0 111.086 -178.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.43 ' HG3' ' N ' ' A' ' 32' ' ' GLU . 1.4 ptpm? -61.28 -40.97 96.11 Favored 'General case' 0 N--CA 1.436 -1.138 0 C-N-CA 119.695 -0.802 . . . . 0.0 110.01 -178.433 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.441 ' OE2' ' C ' ' A' ' 22' ' ' GLU . 94.4 mt-10 -70.48 -53.45 16.25 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 119.888 -0.725 . . . . 0.0 112.46 -178.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.6 pp -59.25 -36.76 76.08 Favored 'General case' 0 CA--C 1.5 -0.958 0 C-N-CA 119.578 -0.849 . . . . 0.0 110.758 -178.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.775 ' NZ ' HE21 ' A' ' 38' ' ' GLN . 14.7 tptp -56.42 -37.13 69.78 Favored 'General case' 0 N--CA 1.433 -1.296 0 C-N-CA 118.24 -1.384 . . . . 0.0 108.208 178.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.882 ' O ' HG23 ' A' ' 39' ' ' THR . 97.2 mt-10 -74.99 -40.15 60.84 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 179.259 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.75 HD23 ' O ' ' A' ' 36' ' ' LEU . 4.2 tt -64.95 -45.06 87.3 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 119.75 -0.78 . . . . 0.0 111.025 -177.622 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.559 ' O ' ' O ' ' A' ' 41' ' ' LEU . 1.7 mm? -64.62 -43.53 93.46 Favored 'General case' 0 C--N 1.343 0.284 0 C-N-CA 118.962 -1.095 . . . . 0.0 111.065 179.645 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.775 HE21 ' NZ ' ' A' ' 34' ' ' LYS . 97.7 mt-30 -62.78 -38.55 91.07 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 120.207 -0.597 . . . . 0.0 111.174 179.378 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.882 HG23 ' O ' ' A' ' 35' ' ' GLU . 62.3 p -71.14 -33.36 70.0 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.556 -0.458 . . . . 0.0 111.268 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -102.15 -60.58 1.51 Allowed 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 113.075 0.769 . . . . 0.0 113.075 -179.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.559 ' O ' ' O ' ' A' ' 37' ' ' LEU . 52.2 mt -98.61 141.25 31.68 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.365 0.603 . . . . 0.0 111.727 -178.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.2 t -114.37 -57.89 2.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.519 179.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.58 -39.69 93.59 Favored Glycine 0 CA--C 1.531 1.033 0 CA-C-N 116.068 -0.515 . . . . 0.0 113.942 -178.258 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -62.79 -53.01 60.78 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 118.001 0.9 . . . . 0.0 112.604 -178.204 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -73.53 -39.37 64.82 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 120.386 -0.525 . . . . 0.0 111.639 178.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 58.7 t0 -60.73 -30.33 69.91 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.525 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.24 -29.68 61.37 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.123 -0.49 . . . . 0.0 112.035 -177.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.7 mm-40 -91.91 118.65 30.94 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 119.403 -0.919 . . . . 0.0 109.911 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.3 tttt -63.01 -39.39 94.61 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 -178.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -69.69 142.58 53.34 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -177.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.5 m -73.49 -27.26 23.2 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.087 178.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -76.41 -1.76 28.62 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.419 179.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.543 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -56.47 -37.17 69.95 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.026 -179.324 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.59 HG13 ' N ' ' A' ' 55' ' ' ASP . 7.2 p -59.99 -43.92 93.54 Favored 'Isoleucine or valine' 0 C--O 1.241 0.641 0 C-N-CA 120.001 -0.68 . . . . 0.0 110.038 178.651 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.59 ' N ' HG13 ' A' ' 54' ' ' VAL . 94.0 m-20 -61.01 -41.03 95.75 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.116 178.619 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -62.02 -38.08 87.3 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.86 178.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 53' ' ' ALA . 76.3 t -65.57 -46.06 90.67 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.11 0 N-CA-C 112.984 0.735 . . . . 0.0 112.984 -178.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.537 ' CE ' ' O ' ' A' ' 67' ' ' GLY . 1.9 ptp -66.69 -34.83 78.73 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 119.235 -0.986 . . . . 0.0 113.224 -177.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 35.9 mmtt -58.93 -41.46 87.41 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 119.277 -0.969 . . . . 0.0 112.131 -178.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -66.17 -41.79 89.81 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.001 -0.68 . . . . 0.0 110.922 179.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 75.2 mt -68.94 -33.79 74.3 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.083 -0.962 . . . . 0.0 112.778 -179.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.658 ' OD2' ' N ' ' A' ' 66' ' ' ASP . 50.8 t0 -79.64 101.3 8.27 Favored 'General case' 0 C--N 1.316 -0.875 0 C-N-CA 119.795 -0.762 . . . . 0.0 112.924 -175.674 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -66.67 -46.23 76.36 Favored 'General case' 0 CA--C 1.51 -0.572 0 CA-C-O 122.713 1.244 . . . . 0.0 111.211 176.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -58.33 -33.67 69.76 Favored 'General case' 0 C--N 1.301 -1.543 0 CA-C-N 112.286 -2.234 . . . . 0.0 112.771 -177.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 84.95 16.42 65.29 Favored Glycine 0 CA--C 1.527 0.842 0 N-CA-C 108.689 -1.764 . . . . 0.0 108.689 -177.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.658 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 47.0 p30 -85.04 4.45 33.88 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 114.627 -0.786 . . . . 0.0 112.082 -179.075 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.618 ' N ' ' OD2' ' A' ' 62' ' ' ASP . . . 62.5 -4.27 0.68 Allowed Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.716 -0.954 . . . . 0.0 110.716 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.544 ' H ' ' C ' ' A' ' 66' ' ' ASP . 82.8 tt0 -110.43 143.44 40.73 Favored 'General case' 0 C--O 1.243 0.731 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 -179.606 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 62.0 t -100.02 135.1 37.19 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.753 0 CA-C-N 116.188 -0.46 . . . . 0.0 112.061 -176.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.55 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 52.9 t0 -99.59 159.33 15.12 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 121.312 0.577 . . . . 0.0 111.238 -179.304 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.55 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 1.0 OUTLIER -50.73 -44.34 58.28 Favored 'General case' 0 C--O 1.22 -0.488 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.76 -178.528 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.423 ' HG2' HG21 ' B' ' 83' ' ' VAL . 94.2 mt-30 -61.6 -40.56 95.22 Favored 'General case' 0 C--O 1.244 0.797 0 C-N-CA 119.752 -0.779 . . . . 0.0 110.763 179.045 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.461 ' O ' HG22 ' A' ' 76' ' ' VAL . 92.3 mt-10 -64.81 -42.15 95.23 Favored 'General case' 0 C--O 1.242 0.7 0 CA-C-O 122.229 1.014 . . . . 0.0 110.0 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -63.21 -41.05 99.1 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-N 114.718 -1.128 . . . . 0.0 109.816 178.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.621 HG13 ' HB1' ' B' ' 79' ' ' ALA . 0.5 OUTLIER -59.96 -48.16 88.88 Favored 'Isoleucine or valine' 0 C--O 1.248 1.003 0 CA-C-N 113.589 -1.641 . . . . 0.0 110.132 -179.138 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.461 HG22 ' O ' ' A' ' 73' ' ' GLU . 15.3 m -67.26 -35.15 73.16 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.563 0 C-N-CA 117.83 -1.548 . . . . 0.0 109.406 178.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.569 ' O ' HD13 ' A' ' 81' ' ' LEU . 33.1 tp -56.3 -51.97 66.25 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 118.813 -1.155 . . . . 0.0 111.861 178.194 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 34.4 m -68.75 -36.2 73.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 C-N-CA 118.415 -1.314 . . . . 0.0 111.952 -178.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.711 ' HB2' ' HB2' ' B' ' 79' ' ' ALA . . . -68.73 -48.79 62.92 Favored 'General case' 0 C--O 1.249 1.048 0 C-N-CA 118.951 -1.1 . . . . 0.0 112.108 -179.432 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.89 -40.44 97.55 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 179.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.569 HD13 ' O ' ' A' ' 77' ' ' LEU . 10.6 mp -65.37 -33.81 76.84 Favored 'General case' 0 C--O 1.216 -0.692 0 C-N-CA 119.141 -1.024 . . . . 0.0 109.913 176.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 43.9 m -62.81 -50.18 72.02 Favored 'General case' 0 C--O 1.247 0.931 0 C-N-CA 119.646 -0.822 . . . . 0.0 111.171 179.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.432 HG21 ' HG2' ' B' ' 72' ' ' GLN . 13.9 p -63.59 -39.41 85.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.575 0 C-N-CA 118.942 -1.103 . . . . 0.0 110.66 178.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.428 ' O ' ' CD2' ' A' ' 88' ' ' PHE . . . -64.62 -33.78 76.73 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 121.145 0.498 . . . . 0.0 109.826 178.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 47.3 t -63.54 -54.13 41.05 Favored 'General case' 0 CA--C 1.506 -0.72 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.242 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -55.86 -40.47 72.95 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 118.484 -1.286 . . . . 0.0 108.62 178.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.69 ' O ' ' HB2' ' A' ' 91' ' ' GLU . 2.9 m120 -59.89 -41.96 92.76 Favored 'General case' 0 C--O 1.202 -1.445 0 C-N-CA 120.162 -0.615 . . . . 0.0 110.55 178.539 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.533 ' O ' ' O ' ' A' ' 91' ' ' GLU . 76.1 m-85 -66.78 -35.39 79.96 Favored 'General case' 0 C--N 1.31 -1.139 0 C-N-CA 117.198 -1.801 . . . . 0.0 110.696 178.72 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -64.68 -61.5 2.15 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 119.657 -0.817 . . . . 0.0 111.832 -178.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.615 ' CG ' ' OH ' ' B' ' 26' ' ' TYR . 17.8 t-105 -69.43 -43.59 73.03 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.691 0.757 . . . . 0.0 111.433 178.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.69 ' HB2' ' O ' ' A' ' 87' ' ' ASN . 96.2 mt-10 -99.51 148.59 24.1 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 114.344 -1.298 . . . . 0.0 111.475 -178.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -104.7 137.79 41.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.549 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.0 m . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 118.054 -0.974 . . . . 0.0 110.5 179.985 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . 0.628 ' O ' ' N ' ' B' ' 3' ' ' GLU . . . . . . . . 0 CA--C 1.523 0.588 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . 0.412 ' C ' ' O ' ' B' ' 1' ' ' GLY . 72.9 m 34.78 24.68 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.617 0.246 . . . . 0.0 111.18 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.628 ' N ' ' O ' ' B' ' 1' ' ' GLY . 42.5 tp10 -59.08 -36.72 75.57 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-O 121.071 0.462 . . . . 0.0 109.757 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.722 HD23 ' O ' ' B' ' 4' ' ' LEU . 4.8 tt -59.7 -39.82 85.85 Favored 'General case' 0 C--O 1.238 0.448 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 178.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.459 ' OE1' ' C ' ' B' ' 5' ' ' GLU . 5.6 tm-20 -61.64 -39.88 92.9 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 114.548 -1.205 . . . . 0.0 108.99 179.177 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 41.2 m -60.37 -40.76 91.97 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 178.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.11 -40.51 97.84 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.915 179.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 98.5 mtp -59.47 -41.25 89.3 Favored 'General case' 0 C--O 1.252 1.236 0 CA-C-O 122.088 0.947 . . . . 0.0 108.652 178.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -64.0 -36.0 82.56 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 114.704 -1.134 . . . . 0.0 109.533 177.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 71.0 m -63.22 -44.24 95.85 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 120.143 -0.623 . . . . 0.0 111.071 179.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 40.4 mt -62.19 -42.14 99.0 Favored 'General case' 0 C--O 1.24 0.56 0 C-N-CA 119.276 -0.97 . . . . 0.0 108.422 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.7 mt -61.71 -45.44 98.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.518 178.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -62.21 -41.89 98.8 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 -178.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 15.6 m -74.11 -41.34 51.93 Favored 'Isoleucine or valine' 0 C--O 1.253 1.258 0 C-N-CA 119.256 -0.977 . . . . 0.0 111.432 -179.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -60.77 -47.05 88.09 Favored 'General case' 0 CA--C 1.512 -0.51 0 C-N-CA 119.257 -0.977 . . . . 0.0 109.397 177.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -63.17 -35.79 81.49 Favored 'General case' 0 CA--C 1.501 -0.932 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.973 177.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.54 ' O ' ' HB2' ' B' ' 21' ' ' LYS . . . -57.73 -51.5 69.29 Favored 'General case' 0 N--CA 1.434 -1.272 0 C-N-CA 118.721 -1.191 . . . . 0.0 109.63 -178.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.508 ' HB2' HD12 ' B' ' 36' ' ' LEU . 30.0 m-70 -78.9 -52.66 7.98 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 114.603 1.334 . . . . 0.0 114.603 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.486 ' OG ' ' O ' ' B' ' 24' ' ' ASP . 23.1 t -58.09 -40.76 81.95 Favored 'General case' 0 C--O 1.233 0.209 0 C-N-CA 119.17 -1.012 . . . . 0.0 109.229 -178.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -70.6 -43.62 60.0 Favored Glycine 0 C--N 1.344 1.002 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.031 178.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.54 ' HB2' ' O ' ' B' ' 17' ' ' ALA . 6.0 ttpm? -58.6 -42.33 87.85 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 119.854 -0.738 . . . . 0.0 111.259 -179.413 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.443 ' C ' ' OE2' ' B' ' 32' ' ' GLU . 77.3 mm-40 -129.97 150.04 51.42 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 120.818 -0.353 . . . . 0.0 111.749 179.16 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.98 -151.73 25.61 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.892 -0.483 . . . . 0.0 111.892 178.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.486 ' O ' ' OG ' ' B' ' 19' ' ' SER . 89.2 m-20 -72.63 140.51 48.02 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.155 0.502 . . . . 0.0 110.514 179.425 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.451 ' C ' ' OG ' ' B' ' 19' ' ' SER . 47.9 mttm -61.31 -32.73 72.59 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.853 -178.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.615 ' OH ' ' CG ' ' A' ' 90' ' ' TRP . 98.6 m-85 -103.05 15.98 27.91 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.016 -0.993 . . . . 0.0 113.247 -175.511 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.416 ' CG ' ' OE2' ' B' ' 68' ' ' GLU . 41.7 tptt -142.94 141.87 31.56 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 119.133 -1.027 . . . . 0.0 108.874 179.146 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 12.7 tp -116.19 132.09 56.76 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 120.641 -0.424 . . . . 0.0 111.13 -176.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 25.9 t -101.81 160.53 14.4 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 -179.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 22.1 ttpt -52.37 -45.94 65.99 Favored 'General case' 0 CA--C 1.51 -0.594 0 C-N-CA 120.476 -0.49 . . . . 0.0 111.111 -178.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.436 ' HG3' ' N ' ' B' ' 32' ' ' GLU . 1.4 ptpm? -61.38 -40.86 95.9 Favored 'General case' 0 N--CA 1.437 -1.09 0 C-N-CA 119.668 -0.813 . . . . 0.0 109.967 -178.395 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.443 ' OE2' ' C ' ' B' ' 22' ' ' GLU . 94.4 mt-10 -70.61 -53.33 16.34 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 119.99 -0.684 . . . . 0.0 112.417 -178.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 2.6 pp -59.33 -36.8 76.32 Favored 'General case' 0 CA--C 1.501 -0.923 0 C-N-CA 119.553 -0.859 . . . . 0.0 110.814 -178.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.768 ' NZ ' HE21 ' B' ' 38' ' ' GLN . 14.7 tptp -56.35 -37.07 69.52 Favored 'General case' 0 N--CA 1.433 -1.297 0 C-N-CA 118.085 -1.446 . . . . 0.0 108.306 178.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.891 ' O ' HG23 ' B' ' 39' ' ' THR . 97.3 mt-10 -75.05 -40.1 60.55 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 179.269 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.742 HD23 ' O ' ' B' ' 36' ' ' LEU . 4.2 tt -64.97 -45.13 86.95 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 119.805 -0.758 . . . . 0.0 110.961 -177.594 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.565 ' O ' ' O ' ' B' ' 41' ' ' LEU . 1.7 mm? -64.54 -43.58 93.55 Favored 'General case' 0 C--N 1.343 0.287 0 C-N-CA 118.937 -1.105 . . . . 0.0 111.13 179.642 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.768 HE21 ' NZ ' ' B' ' 34' ' ' LYS . 97.8 mt-30 -62.78 -38.53 90.98 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 120.212 -0.595 . . . . 0.0 111.16 179.394 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.891 HG23 ' O ' ' B' ' 35' ' ' GLU . 63.6 p -71.16 -33.26 69.86 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.53 -0.468 . . . . 0.0 111.33 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -102.21 -60.63 1.51 Allowed 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 -179.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.565 ' O ' ' O ' ' B' ' 37' ' ' LEU . 51.9 mt -98.63 141.29 31.64 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.306 0.574 . . . . 0.0 111.805 -178.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 4.3 t -114.38 -57.92 2.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.457 179.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.55 -39.74 93.59 Favored Glycine 0 CA--C 1.531 1.052 0 CA-C-N 116.044 -0.526 . . . . 0.0 113.969 -178.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -62.78 -53.02 60.67 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 117.935 0.868 . . . . 0.0 112.564 -178.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -73.42 -39.39 65.05 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 120.368 -0.533 . . . . 0.0 111.695 178.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -60.7 -30.35 69.9 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.485 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.27 -29.7 61.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.072 -0.513 . . . . 0.0 112.0 -177.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 89.7 mm-40 -91.9 118.65 30.93 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 119.43 -0.908 . . . . 0.0 109.974 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 64.5 tttt -62.97 -39.41 94.62 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 113.918 1.081 . . . . 0.0 113.918 -178.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -69.7 142.5 53.33 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 -177.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 4.4 m -73.41 -27.28 23.4 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.127 178.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -76.3 -1.82 28.54 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.106 -0.952 . . . . 0.0 109.411 179.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.549 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -56.38 -37.31 69.92 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.97 -179.277 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.603 HG13 ' N ' ' B' ' 55' ' ' ASP . 7.2 p -60.0 -43.92 93.57 Favored 'Isoleucine or valine' 0 C--O 1.241 0.612 0 C-N-CA 120.005 -0.678 . . . . 0.0 110.007 178.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.603 ' N ' HG13 ' B' ' 54' ' ' VAL . 93.9 m-20 -61.02 -41.0 95.71 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.185 178.582 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -62.13 -37.9 86.92 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.884 178.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.549 HG23 ' O ' ' B' ' 53' ' ' ALA . 76.3 t -65.72 -45.98 90.39 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.1 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 -178.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.541 ' CE ' ' O ' ' B' ' 67' ' ' GLY . 1.9 ptp -66.65 -34.88 78.84 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 119.271 -0.972 . . . . 0.0 113.21 -178.026 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 36.0 mmtt -58.93 -41.47 87.43 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 119.306 -0.958 . . . . 0.0 112.141 -178.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -66.22 -41.69 89.72 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.012 -0.675 . . . . 0.0 110.923 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 74.8 mt -69.05 -33.82 74.19 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.089 -0.959 . . . . 0.0 112.716 -179.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.648 ' OD2' ' N ' ' B' ' 66' ' ' ASP . 50.7 t0 -79.58 101.35 8.25 Favored 'General case' 0 C--N 1.316 -0.862 0 C-N-CA 119.767 -0.773 . . . . 0.0 112.961 -175.733 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -66.73 -46.22 76.16 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-O 122.669 1.223 . . . . 0.0 111.224 176.016 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -58.3 -33.63 69.67 Favored 'General case' 0 C--N 1.3 -1.564 0 CA-C-N 112.322 -2.217 . . . . 0.0 112.814 -177.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 84.88 16.46 65.38 Favored Glycine 0 CA--C 1.527 0.818 0 N-CA-C 108.734 -1.746 . . . . 0.0 108.734 -177.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.648 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 47.1 p30 -85.08 4.46 34.0 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 114.595 -0.803 . . . . 0.0 112.062 -179.083 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.624 ' N ' ' OD2' ' B' ' 62' ' ' ASP . . . 62.53 -4.2 0.71 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.677 -0.969 . . . . 0.0 110.677 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.543 ' H ' ' C ' ' B' ' 66' ' ' ASP . 82.7 tt0 -110.43 143.54 40.58 Favored 'General case' 0 C--O 1.243 0.716 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 -179.665 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 61.2 t -100.13 135.2 36.94 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.677 0 CA-C-N 116.185 -0.461 . . . . 0.0 112.058 -176.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.548 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 51.9 t0 -99.14 159.27 15.1 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-O 121.187 0.518 . . . . 0.0 111.293 -179.314 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.548 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 1.0 OUTLIER -50.85 -44.37 59.43 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.726 -178.834 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.432 ' HG2' HG21 ' A' ' 83' ' ' VAL . 94.2 mt-30 -61.6 -40.62 95.45 Favored 'General case' 0 C--O 1.245 0.817 0 C-N-CA 119.764 -0.774 . . . . 0.0 110.68 179.091 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.457 ' O ' HG22 ' B' ' 76' ' ' VAL . 92.3 mt-10 -64.82 -42.15 95.21 Favored 'General case' 0 C--O 1.243 0.711 0 CA-C-O 122.172 0.986 . . . . 0.0 109.998 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . 0.403 ' OH ' ' CD1' ' A' ' 4' ' ' LEU . 60.9 t80 -63.12 -41.02 99.25 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-N 114.78 -1.1 . . . . 0.0 109.868 178.317 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.618 HG13 ' HB1' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -60.04 -48.2 88.84 Favored 'Isoleucine or valine' 0 C--O 1.248 1.003 0 CA-C-N 113.584 -1.644 . . . . 0.0 110.063 -179.079 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.457 HG22 ' O ' ' B' ' 73' ' ' GLU . 15.3 m -67.14 -35.18 73.62 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.503 0 C-N-CA 117.789 -1.564 . . . . 0.0 109.435 178.717 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.574 ' O ' HD13 ' B' ' 81' ' ' LEU . 32.7 tp -56.33 -51.98 66.25 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 118.744 -1.182 . . . . 0.0 111.823 178.276 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 34.4 m -68.73 -36.17 73.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 118.357 -1.337 . . . . 0.0 111.932 -178.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.711 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . . . -68.73 -48.9 62.63 Favored 'General case' 0 C--O 1.25 1.126 0 C-N-CA 118.922 -1.111 . . . . 0.0 112.041 -179.43 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.8 -40.39 97.19 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.574 HD13 ' O ' ' B' ' 77' ' ' LEU . 10.5 mp -65.36 -34.02 77.34 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 119.146 -1.022 . . . . 0.0 109.853 176.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 44.3 m -62.69 -50.06 72.65 Favored 'General case' 0 C--O 1.246 0.895 0 C-N-CA 119.638 -0.825 . . . . 0.0 111.21 179.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.423 HG21 ' HG2' ' A' ' 72' ' ' GLN . 14.0 p -63.61 -39.41 85.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 118.972 -1.091 . . . . 0.0 110.612 178.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.43 ' O ' ' CD2' ' B' ' 88' ' ' PHE . . . -64.76 -33.79 76.81 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 121.075 0.464 . . . . 0.0 109.78 178.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 47.6 t -63.39 -54.23 39.99 Favored 'General case' 0 CA--C 1.507 -0.679 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.208 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -55.8 -40.48 72.79 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 118.451 -1.3 . . . . 0.0 108.631 178.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . 0.674 ' O ' ' HB2' ' B' ' 91' ' ' GLU . 2.9 m120 -59.89 -41.97 92.78 Favored 'General case' 0 C--O 1.202 -1.43 0 C-N-CA 120.166 -0.614 . . . . 0.0 110.586 178.544 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.531 ' O ' ' O ' ' B' ' 91' ' ' GLU . 76.4 m-85 -66.75 -35.37 79.94 Favored 'General case' 0 C--N 1.309 -1.163 0 C-N-CA 117.199 -1.801 . . . . 0.0 110.745 178.673 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -64.7 -61.61 2.09 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 119.693 -0.803 . . . . 0.0 111.846 -178.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.603 ' CG ' ' OH ' ' A' ' 26' ' ' TYR . 17.8 t-105 -69.34 -43.6 73.34 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.735 0.778 . . . . 0.0 111.462 178.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.674 ' HB2' ' O ' ' B' ' 87' ' ' ASN . 96.2 mt-10 -99.53 148.59 24.12 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.326 -1.306 . . . . 0.0 111.472 -178.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -104.7 137.77 42.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.517 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 3.0 m . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.018 -0.991 . . . . 0.0 110.545 179.99 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 201' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.563 ' O ' ' OE1' ' B' ' 40' ' ' GLU . . . . . . . . 0 CA--C 1.524 0.638 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.9 p -69.22 -14.55 63.03 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.611 0.243 . . . . 0.0 110.845 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -60.4 -39.33 86.96 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 -177.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.485 HD23 ' O ' ' A' ' 4' ' ' LEU . 5.9 tt -62.31 -41.98 98.99 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 117.85 -1.54 . . . . 0.0 107.671 -179.607 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.609 ' OE2' HD22 ' B' ' 41' ' ' LEU . 72.6 mm-40 -66.27 -36.47 83.07 Favored 'General case' 0 C--O 1.219 -0.506 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.797 177.601 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.0 m -58.55 -41.27 85.21 Favored 'General case' 0 C--O 1.237 0.433 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 179.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.75 -46.42 82.25 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.464 179.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 99.4 mtp -58.87 -40.89 85.69 Favored 'General case' 0 C--O 1.247 0.926 0 CA-C-O 121.63 0.729 . . . . 0.0 109.709 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.44 -36.02 82.66 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.168 177.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 52.7 m -63.68 -42.61 98.0 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 119.359 -0.936 . . . . 0.0 109.712 179.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 43.2 mt -61.03 -43.27 99.13 Favored 'General case' 0 C--O 1.241 0.61 0 C-N-CA 119.347 -0.941 . . . . 0.0 108.753 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.5 mt -61.51 -45.71 98.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.21 178.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -62.22 -41.63 98.56 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -178.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.9 m -73.57 -41.28 55.78 Favored 'Isoleucine or valine' 0 C--O 1.253 1.282 0 C-N-CA 119.169 -1.012 . . . . 0.0 111.383 -179.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -60.47 -47.94 83.95 Favored 'General case' 0 CA--C 1.509 -0.603 0 C-N-CA 119.2 -1.0 . . . . 0.0 110.027 177.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -65.21 -34.63 78.82 Favored 'General case' 0 CA--C 1.502 -0.871 0 CA-C-N 115.547 -0.752 . . . . 0.0 110.524 178.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.54 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . -58.28 -52.35 65.95 Favored 'General case' 0 N--CA 1.437 -1.117 0 C-N-CA 118.763 -1.175 . . . . 0.0 110.031 -178.6 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.627 ' HA ' ' HZ1' ' A' ' 21' ' ' LYS . 17.4 m-70 -78.89 -48.12 15.22 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 118.846 -1.142 . . . . 0.0 113.815 -179.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.3 t -59.0 -44.01 91.58 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 119.278 -0.969 . . . . 0.0 110.468 -179.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -73.28 -44.56 34.22 Favored Glycine 0 CA--C 1.525 0.685 0 C-N-CA 120.744 -0.741 . . . . 0.0 111.697 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.627 ' HZ1' ' HA ' ' A' ' 18' ' ' HIS . 7.5 ttpm? -59.42 -39.64 84.12 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 -179.178 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.477 ' C ' ' OE2' ' A' ' 32' ' ' GLU . 96.6 mt-10 -119.75 146.32 45.76 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 -178.404 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 51.66 -140.35 25.59 Favored Glycine 0 C--N 1.334 0.441 0 CA-C-N 114.769 -1.105 . . . . 0.0 112.582 177.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -70.52 146.69 50.03 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 114.952 -0.624 . . . . 0.0 110.094 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.8 mtmm -86.35 150.55 24.24 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.484 ' OH ' ' CE3' ' B' ' 90' ' ' TRP . 89.0 m-85 61.06 13.46 4.67 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.5 tptt -138.01 132.33 32.06 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 106.183 -1.784 . . . . 0.0 106.183 175.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.8 tp -110.99 128.27 55.79 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 120.069 -0.653 . . . . 0.0 110.677 -176.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 78.8 p -99.81 164.87 11.84 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.0 ttpt -55.41 -47.85 75.28 Favored 'General case' 0 C--O 1.241 0.657 0 C-N-CA 120.273 -0.571 . . . . 0.0 112.065 -177.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.443 ' HG3' ' N ' ' A' ' 32' ' ' GLU . 14.6 ptpt -61.87 -41.4 97.81 Favored 'General case' 0 N--CA 1.442 -0.871 0 C-N-CA 119.61 -0.836 . . . . 0.0 110.191 -178.034 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.477 ' OE2' ' C ' ' A' ' 22' ' ' GLU . 97.4 mt-10 -67.43 -46.63 72.56 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 120.124 -0.631 . . . . 0.0 112.175 -179.32 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.38 -33.65 75.15 Favored 'General case' 0 CA--C 1.5 -0.946 0 C-N-CA 118.338 -1.345 . . . . 0.0 109.046 179.554 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.528 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 0.4 OUTLIER -54.17 -37.39 64.41 Favored 'General case' 0 N--CA 1.437 -1.122 0 C-N-CA 117.938 -1.505 . . . . 0.0 108.029 178.029 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.672 ' O ' HG23 ' A' ' 39' ' ' THR . 77.5 mm-40 -75.52 -42.93 51.36 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 112.921 0.711 . . . . 0.0 112.921 179.421 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.693 HD23 ' O ' ' A' ' 36' ' ' LEU . 1.0 OUTLIER -65.27 -45.97 82.37 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 120.338 -0.545 . . . . 0.0 111.44 -177.326 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.576 ' CD2' ' N ' ' A' ' 37' ' ' LEU . 0.8 OUTLIER -64.25 -42.62 96.42 Favored 'General case' 0 CA--C 1.52 -0.184 0 C-N-CA 119.116 -1.033 . . . . 0.0 111.191 -179.747 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.528 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 27.4 mt-30 -65.0 -39.54 93.6 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.317 -0.553 . . . . 0.0 112.069 179.504 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.672 HG23 ' O ' ' A' ' 35' ' ' GLU . 82.6 p -70.29 -40.03 74.52 Favored 'General case' 0 CA--C 1.523 -0.064 0 C-N-CA 119.676 -0.81 . . . . 0.0 111.707 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.564 ' OE1' ' O ' ' B' ' 1' ' ' GLY . 81.2 mm-40 -89.65 -47.48 7.92 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.397 -0.521 . . . . 0.0 111.287 179.186 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.6 HD22 ' OE2' ' B' ' 5' ' ' GLU . 29.4 mt -107.8 141.98 38.53 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 121.144 0.497 . . . . 0.0 111.433 -179.436 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.4 m -112.5 -68.55 0.92 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.384 178.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.87 -37.41 90.66 Favored Glycine 0 CA--C 1.533 1.172 0 CA-C-N 115.506 -0.77 . . . . 0.0 114.263 -178.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -59.79 -53.74 54.44 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 118.203 1.001 . . . . 0.0 112.565 -177.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -75.6 -38.8 58.75 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 120.343 -0.543 . . . . 0.0 111.216 178.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -60.58 -28.85 68.8 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.404 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.2 -28.6 54.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.147 -0.479 . . . . 0.0 112.095 -177.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 90.4 mm-40 -88.82 120.59 30.37 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 119.341 -0.944 . . . . 0.0 109.842 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -63.04 -36.06 82.31 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 113.75 1.018 . . . . 0.0 113.75 -179.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -70.01 142.01 52.83 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -177.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.4 m -74.13 -27.95 22.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.526 178.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -82.38 3.23 28.75 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 115.322 -0.853 . . . . 0.0 109.621 179.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.444 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -57.09 -38.03 72.76 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.27 -179.356 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.596 HG13 ' N ' ' A' ' 55' ' ' ASP . 8.7 p -60.53 -42.85 92.96 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 C-N-CA 119.807 -0.757 . . . . 0.0 109.951 178.745 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.596 ' N ' HG13 ' A' ' 54' ' ' VAL . 56.2 t0 -61.42 -42.28 98.49 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 179.131 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 44.4 mttm -61.97 -39.6 92.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.747 179.129 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 53' ' ' ALA . 79.6 t -65.92 -45.7 90.41 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.119 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -179.298 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.6 ppp? -65.96 -33.96 77.0 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 -177.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 29.2 mmtm -60.05 -39.75 87.03 Favored 'General case' 0 CA--C 1.52 -0.19 0 C-N-CA 119.022 -1.071 . . . . 0.0 110.33 179.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -64.14 -39.58 94.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.176 0.512 . . . . 0.0 110.665 178.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.435 ' O ' ' OE1' ' A' ' 73' ' ' GLU . 75.8 mt -68.09 -35.39 78.09 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-N 115.466 -0.788 . . . . 0.0 112.313 -179.26 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.463 ' CG ' ' H ' ' A' ' 65' ' ' GLY . 44.5 t0 -71.48 73.15 0.73 Allowed 'General case' 0 N--CA 1.446 -0.668 0 C-N-CA 118.521 -1.271 . . . . 0.0 110.487 -178.352 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -63.66 -38.09 89.82 Favored 'General case' 0 CA--C 1.498 -1.041 0 N-CA-C 106.959 -1.497 . . . . 0.0 106.959 176.164 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.482 ' OD1' ' OD2' ' A' ' 66' ' ' ASP . 17.4 t-20 -58.12 -39.7 79.35 Favored 'General case' 0 N--CA 1.43 -1.47 0 CA-C-N 111.617 -2.538 . . . . 0.0 111.34 178.553 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.463 ' H ' ' CG ' ' A' ' 62' ' ' ASP . . . 79.79 19.66 70.07 Favored Glycine 0 CA--C 1.53 0.97 0 C-N-CA 121.469 -0.396 . . . . 0.0 112.803 178.143 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.491 ' O ' ' OE1' ' A' ' 68' ' ' GLU . 54.0 p30 -89.37 2.37 54.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 117.539 0.67 . . . . 0.0 112.649 -179.654 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 88.32 -5.11 85.14 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.38 -1.088 . . . . 0.0 110.38 179.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.491 ' OE1' ' O ' ' A' ' 66' ' ' ASP . 53.7 mp0 -121.21 160.42 23.87 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.005 -0.597 . . . . 0.0 110.629 179.335 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.41 ' HA ' ' OE1' ' A' ' 73' ' ' GLU . 38.5 t -104.68 129.57 56.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 105.625 -1.991 . . . . 0.0 105.625 176.326 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.511 ' C ' ' OD1' ' A' ' 70' ' ' ASP . 16.8 p30 -100.62 170.93 8.03 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 119.307 -0.957 . . . . 0.0 110.547 -177.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -53.55 -44.84 69.59 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.934 -178.48 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -61.77 -40.29 94.65 Favored 'General case' 0 C--O 1.242 0.707 0 C-N-CA 120.165 -0.614 . . . . 0.0 111.706 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.474 ' O ' HG22 ' A' ' 76' ' ' VAL . 77.5 mt-10 -64.57 -42.84 95.39 Favored 'General case' 0 C--O 1.242 0.69 0 CA-C-O 122.291 1.043 . . . . 0.0 109.689 179.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 69.5 t80 -63.25 -41.24 99.04 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-N 114.448 -1.251 . . . . 0.0 110.173 178.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.617 HG13 ' HB1' ' B' ' 79' ' ' ALA . 0.5 OUTLIER -59.91 -47.63 90.86 Favored 'Isoleucine or valine' 0 C--O 1.247 0.958 0 CA-C-N 113.75 -1.568 . . . . 0.0 110.054 -179.018 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.474 HG22 ' O ' ' A' ' 73' ' ' GLU . 16.4 m -67.45 -35.1 72.42 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 C-N-CA 117.875 -1.53 . . . . 0.0 109.323 178.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.579 ' O ' HD13 ' A' ' 81' ' ' LEU . 30.6 tp -56.92 -50.39 72.72 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 118.741 -1.184 . . . . 0.0 111.857 178.245 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 35.6 m -68.98 -35.93 71.5 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 C-N-CA 118.606 -1.238 . . . . 0.0 111.676 -179.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.726 ' HB2' ' HB2' ' B' ' 79' ' ' ALA . . . -68.42 -48.59 64.24 Favored 'General case' 0 C--O 1.248 0.998 0 C-N-CA 119.081 -1.047 . . . . 0.0 111.805 -179.494 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.24 -39.57 94.99 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.579 HD13 ' O ' ' A' ' 77' ' ' LEU . 9.2 mp -65.08 -34.47 78.5 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 119.376 -0.93 . . . . 0.0 109.733 176.694 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 37.1 m -63.43 -50.21 70.68 Favored 'General case' 0 C--O 1.247 0.948 0 C-N-CA 119.823 -0.751 . . . . 0.0 111.441 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.9 p -63.3 -38.81 83.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 C-N-CA 119.144 -1.022 . . . . 0.0 110.582 178.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.42 ' O ' ' CD2' ' A' ' 88' ' ' PHE . . . -65.27 -35.36 80.79 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 120.326 -0.549 . . . . 0.0 109.926 178.746 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 9.1 t -61.71 -54.99 35.16 Favored 'General case' 0 CA--C 1.507 -0.677 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.259 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 33.8 t30 -56.87 -39.0 73.53 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 118.797 -1.161 . . . . 0.0 108.972 178.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 34.8 t30 -57.77 -41.65 82.45 Favored 'General case' 0 C--O 1.219 -0.512 0 C-N-CA 120.127 -0.629 . . . . 0.0 110.43 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.446 ' O ' ' CB ' ' A' ' 92' ' ' ASN . 70.5 m-85 -67.99 -41.0 82.96 Favored 'General case' 0 C--O 1.226 -0.134 0 C-N-CA 119.546 -0.861 . . . . 0.0 110.867 178.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -58.78 -45.41 89.9 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.282 -0.567 . . . . 0.0 111.477 -179.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.547 ' CD1' ' C ' ' A' ' 90' ' ' TRP . 16.1 t-105 -85.65 -58.51 2.63 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 -179.491 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.453 ' C ' ' OE1' ' A' ' 91' ' ' GLU . 7.6 tm-20 -61.35 -37.16 82.32 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 113.407 0.892 . . . . 0.0 113.407 -176.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.446 ' CB ' ' O ' ' A' ' 88' ' ' PHE . 53.4 t-20 -56.99 -36.7 70.68 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 119.91 -0.716 . . . . 0.0 110.657 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 32.3 t . . . . . 0 C--O 1.219 -0.52 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.476 -179.927 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . 0.564 ' O ' ' OE1' ' A' ' 40' ' ' GLU . . . . . . . . 0 CA--C 1.524 0.639 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 82.7 p -69.2 -14.57 63.05 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.679 -0.261 . . . . 0.0 110.874 179.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -60.4 -39.26 86.7 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 -177.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.489 HD23 ' O ' ' B' ' 4' ' ' LEU . 5.9 tt -62.32 -42.05 99.05 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 117.913 -1.515 . . . . 0.0 107.642 -179.62 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.6 ' OE2' HD22 ' A' ' 41' ' ' LEU . 72.7 mm-40 -66.24 -36.56 83.32 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.825 177.565 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 43.6 m -58.5 -41.09 84.56 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 179.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.04 -46.3 81.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.416 179.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 99.3 mtp -58.91 -40.87 85.8 Favored 'General case' 0 C--O 1.246 0.897 0 CA-C-O 121.635 0.731 . . . . 0.0 109.824 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.36 -36.84 85.24 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.04 177.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 48.7 m -62.75 -42.9 99.89 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 119.375 -0.93 . . . . 0.0 109.901 178.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 49.1 mt -61.14 -43.05 99.49 Favored 'General case' 0 C--O 1.241 0.64 0 C-N-CA 119.283 -0.967 . . . . 0.0 108.797 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.4 mt -61.58 -45.5 98.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.344 178.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -62.36 -41.58 98.72 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -178.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 14.6 m -73.53 -41.29 56.06 Favored 'Isoleucine or valine' 0 C--O 1.253 1.246 0 C-N-CA 119.26 -0.976 . . . . 0.0 111.411 -179.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -60.55 -48.0 83.72 Favored 'General case' 0 CA--C 1.509 -0.618 0 C-N-CA 119.156 -1.018 . . . . 0.0 109.984 177.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -65.15 -34.63 78.85 Favored 'General case' 0 CA--C 1.503 -0.859 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.436 178.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.545 ' O ' ' CB ' ' B' ' 21' ' ' LYS . . . -58.3 -52.38 65.82 Favored 'General case' 0 N--CA 1.436 -1.147 0 C-N-CA 118.76 -1.176 . . . . 0.0 110.078 -178.62 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.607 ' HA ' ' HZ3' ' B' ' 21' ' ' LYS . 17.3 m-70 -78.82 -48.13 15.35 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 118.855 -1.138 . . . . 0.0 113.896 -179.728 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 41.8 t -59.1 -43.89 91.9 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 119.248 -0.981 . . . . 0.0 110.53 -179.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -73.31 -44.62 33.77 Favored Glycine 0 CA--C 1.526 0.735 0 C-N-CA 120.831 -0.699 . . . . 0.0 111.647 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.607 ' HZ3' ' HA ' ' B' ' 18' ' ' HIS . 7.5 ttpm? -59.41 -39.62 84.01 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 -179.178 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.48 ' C ' ' OE2' ' B' ' 32' ' ' GLU . 96.7 mt-10 -119.75 146.36 45.72 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 -178.426 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 51.63 -140.23 25.71 Favored Glycine 0 CA--C 1.521 0.45 0 CA-C-N 114.891 -1.05 . . . . 0.0 112.693 177.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -70.69 146.7 49.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 114.956 -0.622 . . . . 0.0 110.046 179.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 26.8 mtmm -86.26 150.45 24.35 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.521 ' OH ' ' CE3' ' A' ' 90' ' ' TRP . 89.1 m-85 61.18 13.37 4.73 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.2 tptt -138.0 132.49 32.33 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 106.153 -1.795 . . . . 0.0 106.153 175.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 15.8 tp -111.14 128.17 55.81 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 120.077 -0.649 . . . . 0.0 110.714 -176.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 78.7 p -99.75 164.9 11.84 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 17.0 ttpt -55.46 -47.9 75.36 Favored 'General case' 0 C--O 1.242 0.695 0 C-N-CA 120.203 -0.599 . . . . 0.0 112.071 -177.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.439 ' HG3' ' N ' ' B' ' 32' ' ' GLU . 14.6 ptpt -61.69 -41.48 97.64 Favored 'General case' 0 N--CA 1.442 -0.85 0 C-N-CA 119.671 -0.812 . . . . 0.0 110.266 -178.104 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.48 ' OE2' ' C ' ' B' ' 22' ' ' GLU . 97.3 mt-10 -67.39 -46.64 72.66 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 120.228 -0.589 . . . . 0.0 112.204 -179.335 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.39 -33.58 75.03 Favored 'General case' 0 CA--C 1.5 -0.956 0 C-N-CA 118.346 -1.342 . . . . 0.0 109.121 179.498 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.535 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 0.4 OUTLIER -54.33 -37.39 64.81 Favored 'General case' 0 N--CA 1.437 -1.088 0 C-N-CA 117.897 -1.521 . . . . 0.0 107.944 178.08 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.683 ' O ' HG23 ' B' ' 39' ' ' THR . 77.4 mm-40 -75.56 -42.83 51.24 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 179.424 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.695 HD23 ' O ' ' B' ' 36' ' ' LEU . 1.1 tt -65.21 -45.95 82.65 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 120.37 -0.532 . . . . 0.0 111.539 -177.413 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.581 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 0.8 OUTLIER -64.3 -42.59 96.28 Favored 'General case' 0 CA--C 1.521 -0.142 0 C-N-CA 119.098 -1.041 . . . . 0.0 111.211 -179.798 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.535 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 27.4 mt-30 -64.96 -39.56 93.68 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.3 -0.56 . . . . 0.0 112.072 179.416 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.683 HG23 ' O ' ' B' ' 35' ' ' GLU . 82.8 p -70.27 -40.08 74.57 Favored 'General case' 0 C--N 1.334 -0.096 0 C-N-CA 119.65 -0.82 . . . . 0.0 111.685 -179.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.563 ' OE1' ' O ' ' A' ' 1' ' ' GLY . 81.2 mm-40 -89.6 -47.51 7.91 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.365 -0.534 . . . . 0.0 111.278 179.2 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.609 HD22 ' OE2' ' A' ' 5' ' ' GLU . 29.4 mt -107.83 142.05 38.47 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 121.191 0.52 . . . . 0.0 111.458 -179.436 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 3.4 m -112.51 -68.67 0.91 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.395 178.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.81 -37.46 90.4 Favored Glycine 0 CA--C 1.533 1.188 0 CA-C-N 115.448 -0.796 . . . . 0.0 114.243 -178.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -59.75 -53.79 53.9 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 118.194 0.997 . . . . 0.0 112.523 -177.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -75.67 -38.7 58.52 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 120.279 -0.568 . . . . 0.0 111.201 178.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -60.52 -28.84 68.71 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.506 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.26 -28.63 54.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 0.0 112.096 -177.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 90.4 mm-40 -88.72 120.56 30.23 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 119.369 -0.933 . . . . 0.0 109.793 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -63.0 -36.15 82.58 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -179.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -70.03 142.07 52.79 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -177.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 4.3 m -74.21 -27.93 22.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.536 178.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -82.35 3.22 28.7 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.673 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.438 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -57.01 -38.14 72.68 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.257 -179.391 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.59 HG13 ' N ' ' B' ' 55' ' ' ASP . 8.8 p -60.5 -42.83 92.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 C-N-CA 119.796 -0.761 . . . . 0.0 109.949 178.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.59 ' N ' HG13 ' B' ' 54' ' ' VAL . 56.1 t0 -61.46 -42.24 98.47 Favored 'General case' 0 N--CA 1.447 -0.575 0 C-N-CA 120.1 -0.64 . . . . 0.0 109.32 179.105 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 44.4 mttm -62.0 -39.54 92.57 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.814 179.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.438 HG23 ' O ' ' B' ' 53' ' ' ALA . 79.7 t -65.88 -45.77 90.35 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.072 0 N-CA-C 112.338 0.495 . . . . 0.0 112.338 -179.351 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 2.6 ppp? -65.9 -34.03 77.19 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 -177.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 29.3 mmtm -59.93 -39.84 86.84 Favored 'General case' 0 CA--C 1.52 -0.19 0 C-N-CA 119.09 -1.044 . . . . 0.0 110.373 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -64.11 -39.66 94.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.151 0.501 . . . . 0.0 110.599 178.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.439 ' O ' ' OE1' ' B' ' 73' ' ' GLU . 76.1 mt -68.08 -35.27 77.9 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-N 115.466 -0.788 . . . . 0.0 112.397 -179.206 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.469 ' CG ' ' H ' ' B' ' 65' ' ' GLY . 44.6 t0 -71.62 73.28 0.78 Allowed 'General case' 0 N--CA 1.447 -0.622 0 C-N-CA 118.346 -1.342 . . . . 0.0 110.479 -178.387 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' B' ' 61' ' ' LEU . 87.5 tt0 -63.59 -38.15 90.02 Favored 'General case' 0 CA--C 1.497 -1.086 0 N-CA-C 107.016 -1.476 . . . . 0.0 107.016 176.118 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.477 ' OD1' ' OD2' ' B' ' 66' ' ' ASP . 17.5 t-20 -58.22 -39.63 79.56 Favored 'General case' 0 N--CA 1.43 -1.47 0 CA-C-N 111.531 -2.577 . . . . 0.0 111.284 178.661 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.469 ' H ' ' CG ' ' B' ' 62' ' ' ASP . . . 79.82 19.59 70.13 Favored Glycine 0 CA--C 1.531 1.041 0 C-N-CA 121.4 -0.429 . . . . 0.0 112.825 178.088 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.493 ' O ' ' OE1' ' B' ' 68' ' ' GLU . 54.0 p30 -89.34 2.37 54.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 117.467 0.633 . . . . 0.0 112.679 -179.643 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 88.3 -5.02 85.26 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.369 -1.092 . . . . 0.0 110.369 179.092 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.493 ' OE1' ' O ' ' B' ' 66' ' ' ASP . 53.8 mp0 -121.34 160.32 24.26 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.029 -0.585 . . . . 0.0 110.632 179.368 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.401 ' HA ' ' OE1' ' B' ' 73' ' ' GLU . 38.7 t -104.59 129.65 56.73 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.609 0 N-CA-C 105.8 -1.926 . . . . 0.0 105.8 176.276 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.513 ' C ' ' OD1' ' B' ' 70' ' ' ASP . 17.8 p30 -100.51 170.91 8.06 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 119.336 -0.946 . . . . 0.0 110.565 -177.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -53.57 -44.88 69.68 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.927 -178.541 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -61.71 -40.25 94.36 Favored 'General case' 0 C--O 1.243 0.727 0 C-N-CA 120.063 -0.655 . . . . 0.0 111.836 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.465 ' O ' HG22 ' B' ' 76' ' ' VAL . 77.5 mt-10 -64.55 -42.8 95.47 Favored 'General case' 0 C--O 1.243 0.734 0 CA-C-O 122.358 1.075 . . . . 0.0 109.701 179.66 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 69.8 t80 -63.44 -41.08 98.66 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-N 114.476 -1.238 . . . . 0.0 110.155 178.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.611 HG13 ' HB1' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -60.04 -47.54 91.41 Favored 'Isoleucine or valine' 0 C--O 1.247 0.956 0 CA-C-N 113.797 -1.547 . . . . 0.0 110.031 -179.012 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.465 HG22 ' O ' ' B' ' 73' ' ' GLU . 16.3 m -67.48 -35.07 72.18 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.56 0 C-N-CA 117.929 -1.509 . . . . 0.0 109.348 178.699 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.578 ' O ' HD13 ' B' ' 81' ' ' LEU . 30.8 tp -56.95 -50.44 72.61 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 118.872 -1.131 . . . . 0.0 111.754 178.215 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 35.8 m -69.05 -35.91 71.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 118.558 -1.257 . . . . 0.0 111.665 -179.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.726 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . . . -68.38 -48.48 64.6 Favored 'General case' 0 C--O 1.248 0.981 0 C-N-CA 119.043 -1.063 . . . . 0.0 111.918 -179.603 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.21 -39.66 95.28 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 179.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.578 HD13 ' O ' ' B' ' 77' ' ' LEU . 9.2 mp -64.92 -34.63 78.86 Favored 'General case' 0 N--CA 1.447 -0.59 0 C-N-CA 119.321 -0.951 . . . . 0.0 109.839 176.605 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 37.5 m -63.33 -50.28 70.65 Favored 'General case' 0 C--O 1.246 0.877 0 C-N-CA 119.828 -0.749 . . . . 0.0 111.374 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 13.8 p -63.26 -38.77 83.0 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 C-N-CA 119.118 -1.033 . . . . 0.0 110.63 178.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.41 ' O ' ' CD2' ' B' ' 88' ' ' PHE . . . -65.34 -35.24 80.39 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 120.348 -0.541 . . . . 0.0 109.863 178.734 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 9.2 t -61.77 -54.91 36.0 Favored 'General case' 0 CA--C 1.507 -0.696 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.357 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 33.6 t30 -56.91 -39.0 73.63 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 118.724 -1.19 . . . . 0.0 108.989 178.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 34.8 t30 -57.82 -41.54 82.47 Favored 'General case' 0 C--O 1.22 -0.455 0 C-N-CA 120.03 -0.668 . . . . 0.0 110.443 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.451 ' O ' ' CB ' ' B' ' 92' ' ' ASN . 70.7 m-85 -68.04 -41.04 82.7 Favored 'General case' 0 C--N 1.333 -0.122 0 C-N-CA 119.639 -0.824 . . . . 0.0 110.834 178.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -58.78 -45.28 90.2 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.245 -0.582 . . . . 0.0 111.582 -179.092 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.55 ' C ' ' CD1' ' B' ' 90' ' ' TRP . 16.0 t-105 -85.8 -58.34 2.69 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 -179.559 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.447 ' OE1' ' C ' ' B' ' 91' ' ' GLU . 7.6 tm-20 -61.48 -37.03 82.15 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 113.481 0.919 . . . . 0.0 113.481 -176.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . 0.451 ' CB ' ' O ' ' B' ' 88' ' ' PHE . 53.4 t-20 -57.09 -36.61 70.81 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 119.9 -0.72 . . . . 0.0 110.622 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 33.1 t . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.542 -179.951 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 201' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.703 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.537 ' CB ' ' O ' ' B' ' 40' ' ' GLU . 48.5 t -118.3 139.03 51.95 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.788 0.328 . . . . 0.0 110.689 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.45 -39.44 93.83 Favored 'General case' 0 C--O 1.236 0.352 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 -179.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.711 HD23 ' O ' ' A' ' 4' ' ' LEU . 5.0 tt -63.77 -41.98 97.88 Favored 'General case' 0 C--O 1.242 0.682 0 C-N-CA 119.251 -0.98 . . . . 0.0 109.028 -178.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.456 ' C ' ' OE1' ' A' ' 5' ' ' GLU . 8.6 tm-20 -63.72 -39.2 93.7 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 114.772 -1.104 . . . . 0.0 109.06 179.275 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.6 m -60.2 -40.29 89.55 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.126 178.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.31 -44.15 95.79 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.137 179.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 98.7 mtp -59.22 -41.07 87.78 Favored 'General case' 0 C--O 1.249 1.054 0 CA-C-O 121.857 0.837 . . . . 0.0 109.445 178.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -64.99 -35.71 82.06 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.084 178.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 51.0 m -64.47 -43.47 94.08 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 119.731 -0.788 . . . . 0.0 110.224 179.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 38.1 mt -61.69 -42.74 99.34 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 119.232 -0.987 . . . . 0.0 108.803 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.4 mt -62.12 -45.68 98.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 C-N-CA 119.775 -0.77 . . . . 0.0 111.586 178.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -61.83 -41.57 97.96 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -178.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.4 m -73.94 -41.13 53.18 Favored 'Isoleucine or valine' 0 C--O 1.255 1.344 0 C-N-CA 119.289 -0.965 . . . . 0.0 111.437 -179.303 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -60.51 -47.93 83.98 Favored 'General case' 0 CA--C 1.513 -0.481 0 C-N-CA 119.254 -0.978 . . . . 0.0 109.757 177.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -63.94 -34.88 78.97 Favored 'General case' 0 CA--C 1.502 -0.878 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.974 178.064 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.536 ' O ' ' HB2' ' A' ' 21' ' ' LYS . . . -57.58 -51.91 67.56 Favored 'General case' 0 N--CA 1.434 -1.23 0 C-N-CA 118.587 -1.245 . . . . 0.0 109.527 -178.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.502 ' CD2' ' HG ' ' A' ' 36' ' ' LEU . 35.9 m-70 -79.25 -52.12 8.55 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 114.582 1.327 . . . . 0.0 114.582 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.45 ' OG ' ' O ' ' A' ' 25' ' ' LYS . 22.9 t -58.07 -40.77 81.85 Favored 'General case' 0 C--N 1.34 0.182 0 C-N-CA 118.78 -1.168 . . . . 0.0 108.919 -179.213 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.33 -44.0 67.58 Favored Glycine 0 C--N 1.343 0.928 0 CA-C-N 115.347 -0.842 . . . . 0.0 112.139 178.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.536 ' HB2' ' O ' ' A' ' 17' ' ' ALA . 6.2 ttpm? -59.4 -42.26 91.33 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 120.23 -0.588 . . . . 0.0 112.0 -179.372 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.445 ' C ' ' OE2' ' A' ' 32' ' ' GLU . 97.3 mt-10 -129.33 152.08 49.28 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 112.778 0.659 . . . . 0.0 112.778 179.771 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.12 -148.78 28.01 Favored Glycine 0 CA--C 1.523 0.592 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.317 177.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -71.15 139.77 50.34 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 179.3 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.45 ' O ' ' OG ' ' A' ' 19' ' ' SER . 7.5 mtmp? -61.41 -32.56 72.51 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.727 -0.67 . . . . 0.0 112.761 -178.173 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.591 ' OH ' ' CD2' ' B' ' 90' ' ' TRP . 99.0 m-85 -106.39 19.57 20.3 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 113.094 0.776 . . . . 0.0 113.094 -177.661 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.2 tptt -138.87 137.17 36.3 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 119.215 -0.994 . . . . 0.0 108.569 178.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.7 tp -110.13 130.19 55.58 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.552 -0.459 . . . . 0.0 109.806 -177.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.4 t -100.61 162.67 12.77 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.879 -178.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.3 ttpt -52.19 -47.31 65.63 Favored 'General case' 0 C--O 1.24 0.568 0 CA-C-O 121.239 0.543 . . . . 0.0 111.404 -178.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.598 ' HG3' ' N ' ' A' ' 32' ' ' GLU . 25.4 pttm -60.1 -48.44 81.7 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.958 -178.752 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.598 ' N ' ' HG3' ' A' ' 31' ' ' LYS . 93.9 mt-10 -63.61 -51.31 65.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.65 -0.704 . . . . 0.0 112.301 -178.181 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.9 pp -60.26 -36.52 77.98 Favored 'General case' 0 CA--C 1.501 -0.92 0 C-N-CA 119.223 -0.991 . . . . 0.0 110.678 -179.014 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.771 ' NZ ' HE21 ' A' ' 38' ' ' GLN . 10.9 tptp -56.16 -36.72 68.62 Favored 'General case' 0 N--CA 1.436 -1.163 0 C-N-CA 117.912 -1.515 . . . . 0.0 107.983 178.407 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.829 ' O ' HG23 ' A' ' 39' ' ' THR . 96.8 mt-10 -74.98 -40.33 60.76 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 179.618 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.741 HD23 ' O ' ' A' ' 36' ' ' LEU . 4.0 tt -65.5 -45.43 83.61 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 120.174 -0.61 . . . . 0.0 111.058 -177.452 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.558 ' O ' ' O ' ' A' ' 41' ' ' LEU . 1.3 mm? -64.34 -44.06 92.65 Favored 'General case' 0 N--CA 1.463 0.195 0 C-N-CA 119.084 -1.046 . . . . 0.0 111.148 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.771 HE21 ' NZ ' ' A' ' 34' ' ' LYS . 97.3 mt-30 -63.87 -39.41 94.13 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.454 -0.498 . . . . 0.0 111.876 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.829 HG23 ' O ' ' A' ' 35' ' ' GLU . 61.8 p -72.49 -33.01 66.66 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.688 -0.405 . . . . 0.0 111.737 -179.576 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.539 ' O ' ' CB ' ' B' ' 2' ' ' SER . 75.9 mm-40 -100.86 -59.06 1.77 Allowed 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 113.239 0.829 . . . . 0.0 113.239 -179.095 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.558 ' O ' ' O ' ' A' ' 37' ' ' LEU . 56.8 mt -98.65 140.82 32.29 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 120.39 -0.524 . . . . 0.0 111.481 -179.337 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -110.69 -60.77 1.77 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.526 179.596 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.49 -39.52 93.17 Favored Glycine 0 CA--C 1.531 1.09 0 N-CA-C 114.58 0.592 . . . . 0.0 114.58 -177.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -62.56 -53.81 49.14 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 118.236 1.018 . . . . 0.0 112.815 -177.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -73.97 -38.16 64.28 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 120.26 -0.576 . . . . 0.0 111.954 178.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -59.25 -30.6 68.38 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.189 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.98 -31.87 63.39 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.79 -177.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 -96.66 116.4 29.05 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 119.445 -0.902 . . . . 0.0 109.47 179.401 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -63.9 -37.26 86.73 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 -178.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -71.6 142.43 49.98 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 113.164 0.802 . . . . 0.0 113.164 -177.212 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.543 ' O ' HG12 ' A' ' 54' ' ' VAL . 5.0 m -72.03 -29.14 31.81 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.146 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 177.198 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -58.87 -24.96 62.85 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 114.279 -1.328 . . . . 0.0 109.01 177.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.502 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -52.24 -36.84 53.54 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 114.674 -1.148 . . . . 0.0 110.665 -178.138 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.573 HG13 ' N ' ' A' ' 55' ' ' ASP . 7.3 p -60.28 -43.7 94.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 C-N-CA 119.189 -1.004 . . . . 0.0 110.024 178.703 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.573 ' N ' HG13 ' A' ' 54' ' ' VAL . 91.7 m-20 -63.0 -43.94 97.39 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.415 179.58 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 57.2 mtmt -60.91 -38.31 85.26 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 119.97 -0.692 . . . . 0.0 110.345 179.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 53' ' ' ALA . 79.5 t -64.67 -45.78 94.29 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 120.212 -0.595 . . . . 0.0 110.592 179.331 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -70.96 -34.71 71.71 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 -179.115 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.3 mtmt -59.43 -41.13 88.85 Favored 'General case' 0 N--CA 1.462 0.167 0 C-N-CA 119.441 -0.904 . . . . 0.0 111.796 -178.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -64.14 -40.43 96.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.491 0.662 . . . . 0.0 110.349 179.151 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.472 HD11 HD22 ' A' ' 77' ' ' LEU . 80.6 mt -68.57 -33.21 73.68 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.919 -1.037 . . . . 0.0 112.57 -179.619 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -72.89 85.99 1.27 Allowed 'General case' 0 N--CA 1.445 -0.678 0 C-N-CA 118.96 -1.096 . . . . 0.0 111.027 -177.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -63.21 -47.22 83.47 Favored 'General case' 0 CA--C 1.505 -0.769 0 CA-C-O 122.515 1.15 . . . . 0.0 111.04 176.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -59.2 -35.58 73.86 Favored 'General case' 0 C--N 1.3 -1.579 0 CA-C-N 112.758 -2.019 . . . . 0.0 111.358 -179.1 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.5 18.54 70.78 Favored Glycine 0 CA--C 1.52 0.379 0 N-CA-C 108.252 -1.939 . . . . 0.0 108.252 -177.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.526 ' O ' ' OE1' ' A' ' 68' ' ' GLU . 24.0 p-10 -86.41 1.5 51.05 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 -178.449 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 82.84 1.51 90.6 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 178.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.526 ' OE1' ' O ' ' A' ' 66' ' ' ASP . 52.7 mp0 -120.11 155.87 32.15 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-O 121.507 0.67 . . . . 0.0 112.243 179.629 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 48.7 t -108.26 132.05 57.1 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.485 0 N-CA-C 107.545 -1.279 . . . . 0.0 107.545 176.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.55 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 52.1 t0 -101.89 159.99 14.87 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.125 0.488 . . . . 0.0 111.451 -178.132 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.55 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 1.0 OUTLIER -50.16 -43.79 52.34 Favored 'General case' 0 C--O 1.217 -0.611 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.234 -178.584 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.407 ' HG2' HG21 ' B' ' 83' ' ' VAL . 94.0 mt-30 -61.76 -40.5 95.35 Favored 'General case' 0 C--O 1.246 0.874 0 C-N-CA 119.601 -0.84 . . . . 0.0 110.711 178.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.451 ' O ' HG22 ' A' ' 76' ' ' VAL . 86.2 mt-10 -64.72 -41.92 95.62 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-O 122.207 1.003 . . . . 0.0 109.779 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -63.49 -40.82 98.09 Favored 'General case' 0 C--O 1.24 0.587 0 CA-C-N 114.671 -1.15 . . . . 0.0 110.02 178.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.615 HG13 ' HB1' ' B' ' 79' ' ' ALA . 0.5 OUTLIER -60.72 -48.2 89.75 Favored 'Isoleucine or valine' 0 C--O 1.247 0.929 0 CA-C-N 113.72 -1.582 . . . . 0.0 109.974 -179.072 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.451 HG22 ' O ' ' A' ' 73' ' ' GLU . 14.6 m -67.48 -34.49 68.85 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 C-N-CA 117.811 -1.556 . . . . 0.0 109.26 178.625 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.472 HD22 HD11 ' A' ' 61' ' ' LEU . 51.6 tp -56.14 -52.98 62.4 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 119.164 -1.014 . . . . 0.0 112.286 178.344 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 34.3 m -69.84 -35.74 66.36 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.242 0 C-N-CA 118.737 -1.185 . . . . 0.0 111.868 -178.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.658 ' HB2' ' HB2' ' B' ' 79' ' ' ALA . . . -68.67 -47.96 65.18 Favored 'General case' 0 C--O 1.248 1.016 0 C-N-CA 119.05 -1.06 . . . . 0.0 111.715 -179.459 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.33 -40.14 96.5 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 179.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.6 mp -65.37 -34.22 77.8 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 119.258 -0.977 . . . . 0.0 109.694 176.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 39.5 m -62.86 -50.2 71.87 Favored 'General case' 0 C--O 1.243 0.752 0 C-N-CA 119.793 -0.763 . . . . 0.0 111.275 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.41 HG21 ' HG2' ' B' ' 72' ' ' GLN . 13.7 p -63.9 -39.02 83.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 119.15 -1.02 . . . . 0.0 110.703 178.719 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.578 ' O ' ' CD1' ' A' ' 88' ' ' PHE . . . -64.93 -31.74 73.12 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 121.17 0.51 . . . . 0.0 109.838 178.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 18.1 t -67.53 -54.08 23.1 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.7 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 35.4 t30 -56.56 -41.78 77.47 Favored 'General case' 0 C--O 1.24 0.604 0 C-N-CA 118.633 -1.227 . . . . 0.0 109.089 179.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -59.77 -38.24 81.28 Favored 'General case' 0 C--O 1.22 -0.455 0 C-N-CA 120.174 -0.61 . . . . 0.0 109.398 178.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.578 ' CD1' ' O ' ' A' ' 84' ' ' ALA . 4.7 m-30 -64.46 -41.34 96.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -66.46 -55.32 16.22 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 120.13 -0.628 . . . . 0.0 111.542 -179.328 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.607 ' CD2' ' OH ' ' B' ' 26' ' ' TYR . 23.7 t-105 -64.84 -40.11 94.64 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.321 0.582 . . . . 0.0 112.313 179.411 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.54 ' O ' ' O ' ' A' ' 88' ' ' PHE . 1.3 tm-20 -98.44 142.74 29.67 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.121 -177.654 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -55.38 -34.36 64.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.075 -179.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 52.9 p . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.527 -179.96 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.704 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . 0.539 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 48.5 t -118.3 139.07 51.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.722 0.296 . . . . 0.0 110.698 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.42 -39.49 93.94 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 112.74 0.644 . . . . 0.0 112.74 -179.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.712 HD23 ' O ' ' B' ' 4' ' ' LEU . 5.0 tt -63.68 -42.05 98.09 Favored 'General case' 0 C--O 1.243 0.718 0 C-N-CA 119.316 -0.954 . . . . 0.0 109.087 -178.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.458 ' OE1' ' C ' ' B' ' 5' ' ' GLU . 8.6 tm-20 -63.72 -39.17 93.64 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 114.808 -1.087 . . . . 0.0 109.092 179.245 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 46.3 m -60.25 -40.16 89.31 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.089 178.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.41 -44.11 95.57 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.114 179.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 98.7 mtp -59.33 -41.16 88.46 Favored 'General case' 0 C--O 1.249 1.055 0 CA-C-O 121.852 0.834 . . . . 0.0 109.393 178.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -64.77 -36.59 84.8 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.008 178.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 49.2 m -63.58 -43.7 96.23 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 119.774 -0.77 . . . . 0.0 110.41 179.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 42.5 mt -61.76 -42.63 99.23 Favored 'General case' 0 C--O 1.24 0.562 0 C-N-CA 119.191 -1.004 . . . . 0.0 108.815 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.4 mt -62.1 -45.59 98.39 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.135 0 C-N-CA 119.81 -0.756 . . . . 0.0 111.651 178.633 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -61.9 -41.6 98.09 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -178.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 13.1 m -73.88 -41.16 53.59 Favored 'Isoleucine or valine' 0 C--O 1.256 1.397 0 C-N-CA 119.384 -0.926 . . . . 0.0 111.396 -179.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -60.53 -47.9 84.15 Favored 'General case' 0 CA--C 1.512 -0.496 0 C-N-CA 119.259 -0.976 . . . . 0.0 109.779 177.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -63.93 -34.93 79.09 Favored 'General case' 0 CA--C 1.501 -0.91 0 CA-C-N 115.287 -0.87 . . . . 0.0 109.882 178.033 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.528 ' O ' ' HB2' ' B' ' 21' ' ' LYS . . . -57.7 -51.84 67.88 Favored 'General case' 0 N--CA 1.435 -1.209 0 C-N-CA 118.474 -1.29 . . . . 0.0 109.561 -178.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.495 ' HB2' HD12 ' B' ' 36' ' ' LEU . 36.1 m-70 -79.04 -52.28 8.43 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 114.615 1.339 . . . . 0.0 114.615 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.453 ' OG ' ' O ' ' B' ' 25' ' ' LYS . 23.0 t -58.0 -40.84 81.75 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 118.789 -1.164 . . . . 0.0 108.979 -179.235 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.16 -44.22 67.59 Favored Glycine 0 C--N 1.342 0.904 0 CA-C-N 115.372 -0.831 . . . . 0.0 112.085 178.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.528 ' HB2' ' O ' ' B' ' 17' ' ' ALA . 6.2 ttpm? -59.34 -42.26 91.09 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 120.199 -0.6 . . . . 0.0 111.993 -179.248 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.446 ' C ' ' OE2' ' B' ' 32' ' ' GLU . 97.3 mt-10 -129.31 152.22 49.11 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.96 -148.7 27.51 Favored Glycine 0 CA--C 1.523 0.585 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.367 177.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -71.19 139.72 50.24 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 179.316 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.453 ' O ' ' OG ' ' B' ' 19' ' ' SER . 7.5 mtmp? -61.42 -32.5 72.46 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.766 -178.193 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.607 ' OH ' ' CD2' ' A' ' 90' ' ' TRP . 99.0 m-85 -106.33 19.6 20.26 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.11 0.782 . . . . 0.0 113.11 -177.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 26.9 tptt -138.74 137.25 36.57 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 119.197 -1.001 . . . . 0.0 108.643 178.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 13.7 tp -110.18 130.21 55.58 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 120.435 -0.506 . . . . 0.0 109.759 -177.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 27.7 t -100.53 162.69 12.76 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.872 -178.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 20.3 ttpt -52.19 -47.36 65.59 Favored 'General case' 0 C--O 1.24 0.585 0 CA-C-O 121.278 0.561 . . . . 0.0 111.452 -178.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.609 ' HG3' ' N ' ' B' ' 32' ' ' GLU . 25.4 pttm -60.12 -48.41 81.83 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.932 -178.714 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.609 ' N ' ' HG3' ' B' ' 31' ' ' LYS . 93.9 mt-10 -63.56 -51.34 65.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.253 -178.174 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.9 pp -60.33 -36.48 78.06 Favored 'General case' 0 CA--C 1.5 -0.966 0 C-N-CA 119.21 -0.996 . . . . 0.0 110.703 -178.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.769 ' NZ ' HE21 ' B' ' 38' ' ' GLN . 10.9 tptp -56.13 -36.65 68.47 Favored 'General case' 0 N--CA 1.435 -1.193 0 C-N-CA 117.92 -1.512 . . . . 0.0 108.102 178.299 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.831 ' O ' HG23 ' B' ' 39' ' ' THR . 96.8 mt-10 -74.99 -40.38 60.73 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 179.484 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.739 HD23 ' O ' ' B' ' 36' ' ' LEU . 4.0 tt -65.55 -45.32 83.81 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 120.108 -0.637 . . . . 0.0 111.084 -177.458 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.546 ' O ' ' O ' ' B' ' 41' ' ' LEU . 1.3 mm? -64.34 -44.0 92.85 Favored 'General case' 0 C--N 1.34 0.195 0 C-N-CA 119.153 -1.019 . . . . 0.0 111.165 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.769 HE21 ' NZ ' ' B' ' 34' ' ' LYS . 97.3 mt-30 -63.96 -39.46 94.18 Favored 'General case' 0 C--N 1.333 -0.138 0 C-N-CA 120.508 -0.477 . . . . 0.0 111.839 179.675 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.831 HG23 ' O ' ' B' ' 35' ' ' GLU . 61.8 p -72.39 -33.03 66.9 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.778 -179.625 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.537 ' O ' ' CB ' ' A' ' 2' ' ' SER . 75.9 mm-40 -100.87 -59.05 1.77 Allowed 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -179.059 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.546 ' O ' ' O ' ' B' ' 37' ' ' LEU . 56.4 mt -98.61 140.81 32.27 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.181 0.515 . . . . 0.0 111.498 -179.389 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -110.67 -60.69 1.78 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.648 179.495 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.51 -39.48 93.16 Favored Glycine 0 CA--C 1.532 1.114 0 CA-C-N 115.828 -0.623 . . . . 0.0 114.556 -177.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -62.56 -53.81 49.08 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 118.172 0.986 . . . . 0.0 112.796 -177.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -73.9 -38.2 64.42 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 120.36 -0.536 . . . . 0.0 111.97 178.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -59.25 -30.58 68.38 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.279 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.0 -31.87 63.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.768 -177.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -96.76 116.38 29.05 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 119.509 -0.876 . . . . 0.0 109.471 179.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -63.81 -37.27 86.75 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 114.177 1.176 . . . . 0.0 114.177 -178.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -71.63 142.49 49.94 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 -177.16 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . 0.552 ' O ' HG12 ' B' ' 54' ' ' VAL . 5.0 m -72.04 -29.13 31.72 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.16 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 177.15 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -58.86 -25.08 62.97 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 114.216 -1.357 . . . . 0.0 108.968 177.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.5 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -52.13 -36.83 52.44 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 114.679 -1.146 . . . . 0.0 110.72 -178.1 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.591 HG13 ' N ' ' B' ' 55' ' ' ASP . 7.4 p -60.32 -43.68 94.18 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 C-N-CA 119.208 -0.997 . . . . 0.0 109.952 178.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.591 ' N ' HG13 ' B' ' 54' ' ' VAL . 91.7 m-20 -63.03 -43.95 97.25 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.439 179.575 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 57.2 mtmt -60.9 -38.26 85.11 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 119.958 -0.697 . . . . 0.0 110.394 179.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.5 HG23 ' O ' ' B' ' 53' ' ' ALA . 79.5 t -64.65 -45.73 94.5 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 C-N-CA 120.201 -0.6 . . . . 0.0 110.644 179.262 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -70.97 -34.76 71.74 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 113.944 1.09 . . . . 0.0 113.944 -179.101 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 13.3 mtmt -59.39 -41.11 88.64 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 119.28 -0.968 . . . . 0.0 111.894 -178.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -64.19 -40.43 96.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.481 0.658 . . . . 0.0 110.379 179.154 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.477 HD11 HD22 ' B' ' 77' ' ' LEU . 80.4 mt -68.61 -32.99 73.27 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.892 -1.049 . . . . 0.0 112.634 -179.724 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -73.04 86.1 1.33 Allowed 'General case' 0 N--CA 1.446 -0.653 0 C-N-CA 118.854 -1.138 . . . . 0.0 111.05 -177.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -63.23 -47.27 83.19 Favored 'General case' 0 CA--C 1.503 -0.83 0 CA-C-O 122.53 1.157 . . . . 0.0 110.991 177.024 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -59.17 -35.61 73.84 Favored 'General case' 0 C--N 1.3 -1.567 0 CA-C-N 112.819 -1.992 . . . . 0.0 111.348 -179.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.43 18.58 70.87 Favored Glycine 0 CA--C 1.521 0.417 0 N-CA-C 108.322 -1.911 . . . . 0.0 108.322 -177.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.518 ' O ' ' OE1' ' B' ' 68' ' ' GLU . 23.9 p-10 -86.31 1.37 51.26 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 114.956 -0.622 . . . . 0.0 112.665 -178.456 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 82.88 1.54 90.62 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 178.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.518 ' OE1' ' O ' ' B' ' 66' ' ' ASP . 52.6 mp0 -120.17 155.86 32.26 Favored 'General case' 0 C--O 1.239 0.548 0 CA-C-O 121.635 0.731 . . . . 0.0 112.202 179.605 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 48.6 t -108.17 132.02 57.05 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 176.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.548 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 50.9 t0 -101.3 160.01 14.78 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.073 0.463 . . . . 0.0 111.421 -178.08 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.548 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 1.0 OUTLIER -50.42 -43.8 54.97 Favored 'General case' 0 C--O 1.218 -0.604 0 CA-C-N 115.538 -0.756 . . . . 0.0 109.172 -178.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.41 ' HG2' HG21 ' A' ' 83' ' ' VAL . 93.9 mt-30 -61.74 -40.57 95.55 Favored 'General case' 0 C--O 1.246 0.898 0 C-N-CA 119.663 -0.815 . . . . 0.0 110.709 178.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.443 ' O ' HG22 ' B' ' 76' ' ' VAL . 86.3 mt-10 -64.7 -41.77 95.79 Favored 'General case' 0 C--O 1.24 0.57 0 CA-C-O 122.172 0.987 . . . . 0.0 109.875 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -63.48 -40.91 98.35 Favored 'General case' 0 C--O 1.24 0.593 0 CA-C-N 114.686 -1.143 . . . . 0.0 110.013 178.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.616 HG13 ' HB1' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -60.72 -48.27 89.49 Favored 'Isoleucine or valine' 0 C--O 1.247 0.951 0 CA-C-N 113.736 -1.575 . . . . 0.0 109.921 -179.01 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.443 HG22 ' O ' ' B' ' 73' ' ' GLU . 14.6 m -67.49 -34.4 68.27 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.497 0 C-N-CA 117.855 -1.538 . . . . 0.0 109.262 178.646 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.477 HD22 HD11 ' B' ' 61' ' ' LEU . 51.5 tp -56.12 -53.02 62.08 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 119.237 -0.985 . . . . 0.0 112.263 178.293 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 34.3 m -69.94 -35.67 65.56 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.215 0 C-N-CA 118.681 -1.208 . . . . 0.0 111.851 -178.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.658 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . . . -68.63 -48.03 65.12 Favored 'General case' 0 C--O 1.248 1.019 0 C-N-CA 119.068 -1.053 . . . . 0.0 111.701 -179.512 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.22 -40.2 96.8 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 179.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 5.5 mp -65.38 -34.18 77.7 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 119.219 -0.992 . . . . 0.0 109.741 176.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 39.6 m -62.84 -50.13 72.16 Favored 'General case' 0 C--O 1.244 0.814 0 C-N-CA 119.803 -0.759 . . . . 0.0 111.242 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.407 HG21 ' HG2' ' A' ' 72' ' ' GLN . 13.7 p -63.98 -39.11 84.26 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 119.133 -1.027 . . . . 0.0 110.626 178.744 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.585 ' O ' ' CD1' ' B' ' 88' ' ' PHE . . . -64.89 -31.7 73.05 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-O 121.21 0.528 . . . . 0.0 109.84 178.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 18.1 t -67.53 -54.06 23.16 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.691 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -56.59 -41.8 77.6 Favored 'General case' 0 C--O 1.24 0.585 0 C-N-CA 118.588 -1.245 . . . . 0.0 109.124 179.336 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -59.76 -38.2 81.12 Favored 'General case' 0 C--O 1.22 -0.499 0 C-N-CA 120.187 -0.605 . . . . 0.0 109.438 178.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.585 ' CD1' ' O ' ' B' ' 84' ' ' ALA . 4.7 m-30 -64.51 -41.33 96.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -66.4 -55.39 16.04 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.183 -0.607 . . . . 0.0 111.609 -179.385 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.591 ' CD2' ' OH ' ' A' ' 26' ' ' TYR . 23.8 t-105 -64.77 -40.14 94.79 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.261 0.553 . . . . 0.0 112.258 179.369 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.53 ' O ' ' O ' ' B' ' 88' ' ' PHE . 1.3 tm-20 -98.44 142.75 29.67 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.161 -177.658 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -55.32 -34.36 64.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.126 -179.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 52.8 p . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.514 -179.931 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 201' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.666 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.416 ' OG ' ' O ' ' B' ' 40' ' ' GLU . 55.7 p -69.61 163.27 25.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.753 0.311 . . . . 0.0 110.636 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.24 -37.53 83.4 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.751 -179.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.637 HD23 ' O ' ' A' ' 4' ' ' LEU . 5.4 tt -62.37 -41.82 98.92 Favored 'General case' 0 C--O 1.242 0.659 0 CA-C-O 121.873 0.844 . . . . 0.0 108.755 -179.547 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.453 ' C ' ' OE1' ' A' ' 5' ' ' GLU . 7.9 tm-20 -63.77 -40.27 96.27 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 114.742 -1.117 . . . . 0.0 109.515 179.581 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 43.7 m -60.26 -40.12 89.21 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 178.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.38 -44.43 94.76 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.344 179.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 96.0 mtp -59.49 -41.02 88.89 Favored 'General case' 0 C--O 1.25 1.095 0 CA-C-O 121.909 0.862 . . . . 0.0 109.507 179.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.76 -35.66 81.8 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.091 -0.958 . . . . 0.0 109.991 178.053 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 54.1 m -64.28 -43.45 94.75 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 119.858 -0.737 . . . . 0.0 110.255 179.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 36.5 mt -61.73 -42.56 99.12 Favored 'General case' 0 C--O 1.241 0.606 0 C-N-CA 119.188 -1.005 . . . . 0.0 108.805 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.6 mt -62.2 -45.24 99.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 C-N-CA 119.709 -0.797 . . . . 0.0 111.576 178.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -61.93 -41.58 98.11 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.786 0.662 . . . . 0.0 112.786 -178.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 16.0 m -73.84 -41.37 53.87 Favored 'Isoleucine or valine' 0 C--O 1.255 1.377 0 C-N-CA 119.241 -0.984 . . . . 0.0 111.56 -179.333 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -59.91 -47.8 84.3 Favored 'General case' 0 CA--C 1.511 -0.522 0 C-N-CA 119.221 -0.992 . . . . 0.0 109.751 177.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -64.03 -34.71 78.63 Favored 'General case' 0 CA--C 1.502 -0.894 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.908 178.068 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.535 ' O ' ' HB2' ' A' ' 21' ' ' LYS . . . -57.59 -52.03 67.06 Favored 'General case' 0 N--CA 1.435 -1.182 0 C-N-CA 118.527 -1.269 . . . . 0.0 109.564 -178.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.488 ' CD2' ' HG ' ' A' ' 36' ' ' LEU . 38.0 m-70 -79.43 -51.78 8.92 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.468 ' OG ' ' O ' ' A' ' 25' ' ' LYS . 24.4 t -58.02 -40.84 81.84 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 118.823 -1.151 . . . . 0.0 108.927 -179.339 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.77 -44.65 68.81 Favored Glycine 0 C--N 1.343 0.932 0 CA-C-N 115.254 -0.885 . . . . 0.0 112.151 178.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.535 ' HB2' ' O ' ' A' ' 17' ' ' ALA . 6.3 ttpm? -59.52 -42.4 92.19 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.18 -0.608 . . . . 0.0 112.223 -179.138 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.445 ' C ' ' OE2' ' A' ' 32' ' ' GLU . 97.3 mt-10 -129.31 151.64 49.75 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.04 -148.31 32.73 Favored Glycine 0 CA--C 1.524 0.629 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.285 177.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -70.85 139.21 50.8 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 179.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.468 ' O ' ' OG ' ' A' ' 19' ' ' SER . 31.8 mtmt -61.62 -32.92 73.08 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 -177.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.596 ' OH ' ' CD2' ' B' ' 90' ' ' TRP . 95.9 m-85 -107.12 20.18 19.36 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -177.392 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.9 tptt -138.89 137.47 36.55 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 178.548 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.7 tp -111.08 126.97 55.38 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 -177.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 97.7 p -96.84 166.91 11.4 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.699 -0.228 . . . . 0.0 110.781 -179.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.7 ttpt -54.44 -47.97 72.23 Favored 'General case' 0 C--O 1.242 0.66 0 CA-C-O 121.012 0.434 . . . . 0.0 112.043 -177.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.581 ' CG ' ' N ' ' A' ' 32' ' ' GLU . 26.0 pttm -60.51 -48.53 81.38 Favored 'General case' 0 N--CA 1.44 -0.93 0 C-N-CA 119.714 -0.794 . . . . 0.0 109.737 -178.475 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.581 ' N ' ' CG ' ' A' ' 31' ' ' LYS . 95.6 mt-10 -62.54 -50.25 72.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.516 -0.765 . . . . 0.0 112.529 -178.443 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.454 HD22 HG21 ' A' ' 69' ' ' VAL . 1.6 pp -60.86 -36.09 78.27 Favored 'General case' 0 CA--C 1.501 -0.941 0 C-N-CA 118.771 -1.172 . . . . 0.0 110.142 -179.422 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.513 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 10.4 tptp -56.09 -36.84 68.58 Favored 'General case' 0 N--CA 1.435 -1.186 0 C-N-CA 118.244 -1.383 . . . . 0.0 108.13 178.321 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.848 ' O ' HG23 ' A' ' 39' ' ' THR . 97.0 mt-10 -74.6 -40.88 61.32 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 113.076 0.769 . . . . 0.0 113.076 179.719 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.75 HD23 ' O ' ' A' ' 36' ' ' LEU . 3.9 tt -65.38 -44.9 86.08 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 120.044 -0.663 . . . . 0.0 110.99 -177.316 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.556 ' O ' ' O ' ' A' ' 41' ' ' LEU . 1.4 mm? -65.02 -44.67 88.41 Favored 'General case' 0 C--N 1.342 0.243 0 C-N-CA 119.083 -1.047 . . . . 0.0 111.513 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.513 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 27.3 mt-30 -63.73 -38.98 93.13 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.381 -0.528 . . . . 0.0 111.628 179.688 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.848 HG23 ' O ' ' A' ' 35' ' ' GLU . 63.4 p -72.11 -32.91 67.41 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.609 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.439 ' O ' ' OG ' ' B' ' 2' ' ' SER . 76.6 mm-40 -101.34 -59.52 1.69 Allowed 'General case' 0 N--CA 1.463 0.189 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 -178.799 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.556 ' O ' ' O ' ' A' ' 37' ' ' LEU . 53.6 mt -99.39 142.23 31.14 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.323 0.582 . . . . 0.0 111.35 -178.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 70.4 m -108.49 -77.74 0.6 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.537 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.454 ' O ' ' HB2' ' A' ' 47' ' ' ALA . . . -56.8 -36.42 72.43 Favored Glycine 0 CA--C 1.531 1.093 0 CA-C-N 115.471 -0.786 . . . . 0.0 113.92 -178.094 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -61.51 -57.01 13.83 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 118.068 0.934 . . . . 0.0 112.755 -177.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.577 HD13 ' O ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -71.12 -39.83 71.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.597 0.713 . . . . 0.0 109.58 -179.736 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -63.32 -29.35 70.68 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 114.684 -1.144 . . . . 0.0 112.706 179.233 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.454 ' HB2' ' O ' ' A' ' 43' ' ' GLY . . . -55.1 -29.82 58.44 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -176.513 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 95.2 mm-40 -60.55 -36.81 79.35 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 119.706 -0.798 . . . . 0.0 109.355 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.524 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 94.7 mttt 60.92 38.55 17.55 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.422 -0.808 . . . . 0.0 113.079 178.582 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.524 ' OD1' ' O ' ' A' ' 49' ' ' LYS . 91.0 m-20 -141.4 149.91 41.69 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.319 178.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.2 m -72.87 -31.51 36.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.487 179.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -87.07 2.72 48.8 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.594 179.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.462 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -58.61 -38.23 77.56 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.443 -0.503 . . . . 0.0 110.711 -178.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.609 HG13 ' N ' ' A' ' 55' ' ' ASP . 7.2 p -60.17 -44.3 95.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 C-N-CA 119.721 -0.792 . . . . 0.0 110.276 179.602 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.609 ' N ' HG13 ' A' ' 54' ' ' VAL . 92.2 m-20 -62.61 -43.92 97.59 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.297 179.376 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.96 -40.43 95.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.882 179.381 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 53' ' ' ALA . 69.4 t -65.84 -44.09 92.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.946 -0.57 . . . . 0.0 112.143 -179.253 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -69.05 -33.49 73.66 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 -178.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.7 mtmm -60.0 -41.32 91.81 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 113.283 0.845 . . . . 0.0 113.283 -178.195 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -72.22 -36.69 69.22 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 119.556 -0.858 . . . . 0.0 110.685 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.473 ' O ' ' CD ' ' A' ' 73' ' ' GLU . 88.7 mt -67.51 -33.86 75.95 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.86 179.585 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 51.8 t0 -72.43 86.72 1.15 Allowed 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 119.146 -1.022 . . . . 0.0 111.095 -178.048 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -63.18 -47.23 83.49 Favored 'General case' 0 CA--C 1.506 -0.744 0 CA-C-O 122.433 1.111 . . . . 0.0 110.878 176.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -59.36 -35.52 74.04 Favored 'General case' 0 C--N 1.3 -1.575 0 CA-C-N 112.929 -1.941 . . . . 0.0 111.31 -179.215 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.57 18.64 70.34 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 108.494 -1.842 . . . . 0.0 108.494 -178.047 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.514 ' O ' ' OE1' ' A' ' 68' ' ' GLU . 23.2 p-10 -87.12 2.04 51.08 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -178.44 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 83.93 1.56 89.76 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 178.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.514 ' OE1' ' O ' ' A' ' 66' ' ' ASP . 51.3 mp0 -120.64 156.75 31.04 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-O 121.498 0.666 . . . . 0.0 112.137 179.719 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.454 HG21 HD22 ' A' ' 33' ' ' LEU . 49.7 t -105.69 131.7 54.5 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 N-CA-C 107.178 -1.415 . . . . 0.0 107.178 176.707 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.543 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 51.3 t0 -101.55 160.04 14.78 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.146 0.498 . . . . 0.0 111.341 -178.256 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.543 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 1.0 OUTLIER -50.09 -43.34 51.39 Favored 'General case' 0 C--O 1.215 -0.723 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.002 -178.471 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.414 ' HG2' HG21 ' B' ' 83' ' ' VAL . 94.3 mt-30 -62.29 -40.94 97.91 Favored 'General case' 0 C--O 1.245 0.832 0 C-N-CA 119.849 -0.74 . . . . 0.0 110.999 178.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.473 ' CD ' ' O ' ' A' ' 61' ' ' LEU . 87.9 mt-10 -64.63 -41.95 95.81 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 122.304 1.05 . . . . 0.0 109.602 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -63.46 -40.72 97.87 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-N 114.409 -1.269 . . . . 0.0 109.928 178.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.645 HG13 ' HB1' ' B' ' 79' ' ' ALA . 0.5 OUTLIER -60.44 -48.33 88.87 Favored 'Isoleucine or valine' 0 C--O 1.248 0.993 0 CA-C-N 113.842 -1.527 . . . . 0.0 109.871 -178.943 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.47 HG22 ' O ' ' A' ' 73' ' ' GLU . 15.9 m -67.38 -34.59 69.74 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.585 0 C-N-CA 117.871 -1.532 . . . . 0.0 109.244 178.644 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 50.2 tp -56.38 -51.71 67.32 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 119.095 -1.042 . . . . 0.0 112.298 178.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 34.6 m -70.3 -34.97 60.67 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.358 0 C-N-CA 118.734 -1.186 . . . . 0.0 111.62 -178.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.715 ' HB2' ' HB2' ' B' ' 79' ' ' ALA . . . -68.26 -47.77 66.85 Favored 'General case' 0 C--O 1.251 1.14 0 C-N-CA 118.893 -1.123 . . . . 0.0 111.539 -179.663 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.51 -39.72 95.17 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.2 179.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.8 mp -65.1 -34.13 77.66 Favored 'General case' 0 C--O 1.22 -0.492 0 C-N-CA 119.239 -0.984 . . . . 0.0 109.706 176.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 31.7 m -63.14 -50.25 71.18 Favored 'General case' 0 C--O 1.245 0.847 0 C-N-CA 119.83 -0.748 . . . . 0.0 111.154 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.419 HG21 ' HG2' ' B' ' 72' ' ' GLN . 12.8 p -64.05 -39.66 86.28 Favored 'Isoleucine or valine' 0 C--O 1.239 0.537 0 C-N-CA 118.935 -1.106 . . . . 0.0 111.045 179.182 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.459 ' O ' ' CD2' ' A' ' 88' ' ' PHE . . . -64.91 -34.49 78.51 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 120.386 -0.526 . . . . 0.0 109.725 178.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.458 ' C ' ' SD ' ' A' ' 201' ' ' HCS . 45.9 t -62.89 -54.67 35.09 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.643 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 36.8 t30 -56.24 -40.35 74.0 Favored 'General case' 0 C--O 1.238 0.496 0 C-N-CA 118.582 -1.247 . . . . 0.0 108.77 178.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.673 ' O ' ' HB2' ' A' ' 91' ' ' GLU . 86.7 m-20 -59.64 -42.17 92.16 Favored 'General case' 0 C--O 1.203 -1.388 0 C-N-CA 120.227 -0.589 . . . . 0.0 110.424 178.717 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.529 ' O ' ' O ' ' A' ' 91' ' ' GLU . 76.0 m-85 -67.03 -35.09 79.12 Favored 'General case' 0 C--N 1.31 -1.142 0 C-N-CA 117.274 -1.77 . . . . 0.0 110.592 178.709 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -64.25 -61.97 1.91 Allowed 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 119.682 -0.807 . . . . 0.0 111.715 -178.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.596 ' CG ' ' OH ' ' B' ' 26' ' ' TYR . 18.7 t-105 -70.09 -43.48 70.99 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 121.64 0.733 . . . . 0.0 111.483 178.778 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.673 ' HB2' ' O ' ' A' ' 87' ' ' ASN . 69.6 mm-40 -99.66 151.63 20.99 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.48 -1.236 . . . . 0.0 111.609 -178.731 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 17.6 m120 60.26 44.0 13.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.691 179.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 23.8 t . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 118.028 -0.987 . . . . 0.0 110.541 179.898 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.68 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . 0.439 ' OG ' ' O ' ' A' ' 40' ' ' GLU . 56.2 p -69.53 163.24 25.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.704 0.288 . . . . 0.0 110.643 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.22 -37.53 83.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.753 -179.377 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.628 HD23 ' O ' ' B' ' 4' ' ' LEU . 5.4 tt -62.4 -41.77 98.91 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.911 0.862 . . . . 0.0 108.714 -179.514 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.457 ' OE1' ' C ' ' B' ' 5' ' ' GLU . 7.9 tm-20 -63.82 -40.37 96.45 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 114.792 -1.095 . . . . 0.0 109.456 179.561 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 43.3 m -60.25 -39.91 88.4 Favored 'General case' 0 CA--C 1.515 -0.397 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 178.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.68 -44.25 94.28 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.282 179.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 96.0 mtp -59.73 -40.96 89.79 Favored 'General case' 0 C--O 1.25 1.112 0 CA-C-O 121.822 0.82 . . . . 0.0 109.451 179.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.7 -36.37 84.06 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.874 178.095 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 52.2 m -63.47 -43.67 96.65 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 119.874 -0.73 . . . . 0.0 110.419 179.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 41.8 mt -61.7 -42.5 99.02 Favored 'General case' 0 C--O 1.24 0.56 0 C-N-CA 119.185 -1.006 . . . . 0.0 108.816 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.7 mt -62.11 -45.41 98.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.489 178.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -61.93 -41.48 97.99 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -178.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 15.9 m -73.89 -41.41 53.53 Favored 'Isoleucine or valine' 0 C--O 1.256 1.412 0 C-N-CA 119.25 -0.98 . . . . 0.0 111.494 -179.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -59.87 -47.88 83.95 Favored 'General case' 0 CA--C 1.511 -0.521 0 C-N-CA 119.308 -0.957 . . . . 0.0 109.693 177.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -63.98 -34.71 78.61 Favored 'General case' 0 CA--C 1.502 -0.887 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.934 178.086 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.527 ' O ' ' HB2' ' B' ' 21' ' ' LYS . . . -57.58 -52.06 66.93 Favored 'General case' 0 N--CA 1.435 -1.211 0 C-N-CA 118.521 -1.271 . . . . 0.0 109.615 -178.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.492 ' HB2' HD12 ' B' ' 36' ' ' LEU . 37.9 m-70 -79.22 -51.94 8.81 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 114.584 1.327 . . . . 0.0 114.584 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.457 ' OG ' ' O ' ' B' ' 25' ' ' LYS . 24.4 t -58.05 -40.87 82.02 Favored 'General case' 0 C--N 1.341 0.198 0 C-N-CA 118.814 -1.155 . . . . 0.0 108.971 -179.271 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.91 -44.42 68.42 Favored Glycine 0 C--N 1.343 0.969 0 CA-C-N 115.22 -0.9 . . . . 0.0 112.118 178.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.527 ' HB2' ' O ' ' B' ' 17' ' ' ALA . 6.3 ttpm? -59.59 -42.45 92.56 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.213 -0.595 . . . . 0.0 112.23 -179.194 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.45 ' C ' ' OE2' ' B' ' 32' ' ' GLU . 97.3 mt-10 -129.27 151.64 49.71 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.93 -148.2 32.48 Favored Glycine 0 N--CA 1.465 0.588 0 CA-C-N 115.762 -0.654 . . . . 0.0 112.371 177.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -70.89 139.2 50.7 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 179.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.457 ' O ' ' OG ' ' B' ' 19' ' ' SER . 31.8 mtmt -61.52 -32.94 73.0 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 -177.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.596 ' OH ' ' CG ' ' A' ' 90' ' ' TRP . 96.0 m-85 -107.12 20.19 19.35 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 -177.346 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 33.3 tptt -138.8 137.52 36.73 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 178.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 13.6 tp -111.06 126.84 55.24 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 -177.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 97.7 p -96.8 166.91 11.41 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.75 -0.204 . . . . 0.0 110.798 -179.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 20.6 ttpt -54.37 -48.04 71.95 Favored 'General case' 0 C--O 1.241 0.646 0 CA-C-O 121.124 0.488 . . . . 0.0 112.114 -177.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.603 ' HG3' ' N ' ' B' ' 32' ' ' GLU . 26.0 pttm -60.47 -48.49 81.51 Favored 'General case' 0 N--CA 1.441 -0.88 0 C-N-CA 119.743 -0.783 . . . . 0.0 109.67 -178.47 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.603 ' N ' ' HG3' ' B' ' 31' ' ' LYS . 95.5 mt-10 -62.65 -50.31 71.7 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.412 -178.367 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.456 HD22 HG21 ' B' ' 69' ' ' VAL . 1.6 pp -60.82 -36.11 78.22 Favored 'General case' 0 CA--C 1.5 -0.951 0 C-N-CA 118.798 -1.161 . . . . 0.0 110.138 -179.392 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.503 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 10.4 tptp -56.08 -36.78 68.48 Favored 'General case' 0 N--CA 1.435 -1.189 0 C-N-CA 118.244 -1.383 . . . . 0.0 108.136 178.348 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.848 ' O ' HG23 ' B' ' 39' ' ' THR . 97.1 mt-10 -74.69 -40.92 61.1 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 179.737 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.738 HD23 ' O ' ' B' ' 36' ' ' LEU . 4.0 tt -65.36 -44.81 86.45 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 120.076 -0.65 . . . . 0.0 111.073 -177.351 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.547 ' O ' ' O ' ' B' ' 41' ' ' LEU . 1.4 mm? -65.11 -44.54 88.43 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 119.043 -1.063 . . . . 0.0 111.509 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.503 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 27.3 mt-30 -63.74 -39.07 93.4 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.354 -0.538 . . . . 0.0 111.577 179.673 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.848 HG23 ' O ' ' B' ' 35' ' ' GLU . 63.4 p -72.1 -32.9 67.43 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.644 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.416 ' O ' ' OG ' ' A' ' 2' ' ' SER . 76.7 mm-40 -101.23 -59.62 1.67 Allowed 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 -178.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.547 ' O ' ' O ' ' B' ' 37' ' ' LEU . 53.7 mt -99.28 142.25 31.01 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 121.295 0.569 . . . . 0.0 111.331 -178.76 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 70.3 m -108.58 -77.72 0.6 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.572 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . 0.463 ' O ' ' HB2' ' B' ' 47' ' ' ALA . . . -56.8 -36.4 72.32 Favored Glycine 0 CA--C 1.531 1.044 0 CA-C-N 115.527 -0.76 . . . . 0.0 114.008 -178.166 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -61.55 -57.02 13.78 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 117.997 0.899 . . . . 0.0 112.737 -177.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.572 HD13 ' O ' ' B' ' 45' ' ' LEU . 0.2 OUTLIER -71.11 -39.79 71.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.59 0.709 . . . . 0.0 109.57 -179.778 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -63.32 -29.48 70.79 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 114.754 -1.112 . . . . 0.0 112.66 179.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . 0.463 ' HB2' ' O ' ' B' ' 43' ' ' GLY . . . -54.99 -29.95 58.28 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -176.49 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 95.1 mm-40 -60.4 -36.87 79.13 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 119.748 -0.781 . . . . 0.0 109.383 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.534 ' O ' ' OD1' ' B' ' 50' ' ' ASP . 94.7 mttt 60.95 38.55 17.45 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 115.444 -0.798 . . . . 0.0 113.049 178.593 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . 0.534 ' OD1' ' O ' ' B' ' 49' ' ' LYS . 90.9 m-20 -141.4 149.92 41.7 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.32 178.034 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 6.2 m -72.88 -31.53 36.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.481 179.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -87.12 2.76 48.77 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.588 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.459 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -58.63 -38.27 77.71 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.762 -178.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.604 HG13 ' N ' ' B' ' 55' ' ' ASP . 7.2 p -60.15 -44.24 94.78 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 C-N-CA 119.803 -0.759 . . . . 0.0 110.286 179.55 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.604 ' N ' HG13 ' B' ' 54' ' ' VAL . 92.2 m-20 -62.66 -43.92 97.58 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.3 179.371 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.97 -40.39 95.43 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.944 179.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.459 HG23 ' O ' ' B' ' 53' ' ' ALA . 69.8 t -65.77 -44.15 93.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.881 -0.6 . . . . 0.0 112.159 -179.274 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -69.01 -33.45 73.66 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 -178.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 16.7 mtmm -60.09 -41.23 92.07 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 113.239 0.829 . . . . 0.0 113.239 -178.171 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -72.3 -36.61 68.98 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 119.618 -0.833 . . . . 0.0 110.663 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.474 ' O ' ' CD ' ' B' ' 73' ' ' GLU . 88.8 mt -67.66 -33.67 75.41 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.914 179.609 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -72.49 86.69 1.17 Allowed 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 119.158 -1.017 . . . . 0.0 111.161 -178.132 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -63.15 -47.22 83.64 Favored 'General case' 0 CA--C 1.506 -0.741 0 CA-C-O 122.407 1.098 . . . . 0.0 110.905 176.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -59.37 -35.52 74.06 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-N 112.835 -1.984 . . . . 0.0 111.335 -179.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.55 18.63 70.44 Favored Glycine 0 CA--C 1.52 0.374 0 N-CA-C 108.549 -1.82 . . . . 0.0 108.549 -177.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.523 ' O ' ' OE1' ' B' ' 68' ' ' GLU . 23.3 p-10 -87.09 2.08 50.9 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 -178.4 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 83.88 1.61 89.8 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 178.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.523 ' OE1' ' O ' ' B' ' 66' ' ' ASP . 51.2 mp0 -120.68 156.67 31.26 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-O 121.528 0.68 . . . . 0.0 112.191 179.703 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.456 HG21 HD22 ' B' ' 33' ' ' LEU . 49.0 t -105.53 131.63 54.44 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 N-CA-C 107.308 -1.367 . . . . 0.0 107.308 176.686 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.544 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 50.2 t0 -101.06 159.94 14.8 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.117 0.484 . . . . 0.0 111.277 -178.177 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.544 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 1.0 OUTLIER -50.21 -43.44 52.74 Favored 'General case' 0 C--O 1.215 -0.744 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 -178.873 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.419 ' HG2' HG21 ' A' ' 83' ' ' VAL . 94.2 mt-30 -62.11 -41.04 97.83 Favored 'General case' 0 C--O 1.245 0.835 0 C-N-CA 119.908 -0.717 . . . . 0.0 110.98 178.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.474 ' CD ' ' O ' ' B' ' 61' ' ' LEU . 87.9 mt-10 -64.63 -41.91 95.85 Favored 'General case' 0 C--O 1.241 0.623 0 CA-C-O 122.302 1.049 . . . . 0.0 109.628 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -63.5 -40.64 97.61 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-N 114.374 -1.285 . . . . 0.0 110.034 178.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.644 HG13 ' HB1' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -60.45 -48.37 88.69 Favored 'Isoleucine or valine' 0 C--O 1.248 0.992 0 CA-C-N 113.813 -1.54 . . . . 0.0 109.885 -178.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.46 HG22 ' O ' ' B' ' 73' ' ' GLU . 15.8 m -67.37 -34.53 69.45 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.512 0 C-N-CA 117.798 -1.561 . . . . 0.0 109.218 178.665 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 49.6 tp -56.49 -51.67 67.63 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 119.105 -1.038 . . . . 0.0 112.268 178.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 34.6 m -70.31 -34.93 60.47 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.344 0 C-N-CA 118.69 -1.204 . . . . 0.0 111.701 -178.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.715 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . . . -68.1 -47.98 66.72 Favored 'General case' 0 C--O 1.25 1.116 0 C-N-CA 118.969 -1.093 . . . . 0.0 111.53 -179.737 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.39 -39.82 95.56 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.199 179.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 5.7 mp -65.02 -34.29 78.08 Favored 'General case' 0 C--O 1.219 -0.505 0 C-N-CA 119.166 -1.014 . . . . 0.0 109.687 176.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 31.4 m -62.91 -50.27 71.53 Favored 'General case' 0 C--O 1.246 0.89 0 C-N-CA 119.795 -0.762 . . . . 0.0 111.176 179.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.414 HG21 ' HG2' ' A' ' 72' ' ' GLN . 12.8 p -64.09 -39.65 86.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 C-N-CA 118.91 -1.116 . . . . 0.0 111.015 179.226 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.46 ' O ' ' CD2' ' B' ' 88' ' ' PHE . . . -64.88 -34.41 78.32 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 120.282 -0.567 . . . . 0.0 109.79 178.781 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . 0.452 ' C ' ' SD ' ' B' ' 201' ' ' HCS . 46.1 t -62.85 -54.85 32.5 Favored 'General case' 0 CA--C 1.509 -0.621 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.574 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 36.9 t30 -56.14 -40.38 73.73 Favored 'General case' 0 C--O 1.239 0.518 0 C-N-CA 118.57 -1.252 . . . . 0.0 108.834 179.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . 0.654 ' O ' ' HB2' ' B' ' 91' ' ' GLU . 86.4 m-20 -59.63 -42.16 92.1 Favored 'General case' 0 C--O 1.202 -1.425 0 C-N-CA 120.183 -0.607 . . . . 0.0 110.486 178.702 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.533 ' O ' ' O ' ' B' ' 91' ' ' GLU . 75.9 m-85 -67.06 -35.07 79.05 Favored 'General case' 0 C--N 1.31 -1.129 0 C-N-CA 117.217 -1.793 . . . . 0.0 110.588 178.704 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -64.17 -62.03 1.88 Allowed 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 119.689 -0.805 . . . . 0.0 111.78 -178.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.596 ' CD2' ' OH ' ' A' ' 26' ' ' TYR . 18.8 t-105 -69.98 -43.52 71.28 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.765 0.793 . . . . 0.0 111.544 178.705 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.654 ' HB2' ' O ' ' B' ' 87' ' ' ASN . 69.6 mm-40 -99.59 151.74 20.83 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.42 -1.264 . . . . 0.0 111.637 -178.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . 0.407 ' O ' ' O ' ' B' ' 93' ' ' SER . 17.7 m120 60.14 44.02 13.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.642 179.689 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . 0.407 ' O ' ' O ' ' B' ' 92' ' ' ASN . 23.4 t . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.522 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' HCS . . . . . 0.458 ' SD ' ' C ' ' A' ' 85' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 201' ' ' HCS . . . . . 0.452 ' SD ' ' C ' ' B' ' 85' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.62 ' O ' ' N ' ' A' ' 3' ' ' GLU . . . . . . . . 0 CA--C 1.523 0.591 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.5 m 38.41 18.88 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.624 0.25 . . . . 0.0 111.098 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.62 ' N ' ' O ' ' A' ' 1' ' ' GLY . 97.8 mt-10 -62.02 -36.93 83.04 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 120.597 -0.441 . . . . 0.0 111.167 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.742 HD23 ' O ' ' A' ' 4' ' ' LEU . 4.5 tt -61.34 -39.7 91.55 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.456 ' C ' ' OE1' ' A' ' 5' ' ' GLU . 8.0 tm-20 -62.45 -40.51 96.84 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 114.96 -1.018 . . . . 0.0 109.318 179.062 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.8 m -60.08 -39.65 86.82 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 178.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.83 -43.46 98.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.078 -0.964 . . . . 0.0 109.851 179.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 98.0 mtp -59.59 -41.28 89.91 Favored 'General case' 0 C--O 1.249 1.061 0 CA-C-O 121.971 0.891 . . . . 0.0 109.365 179.098 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -64.81 -36.04 83.05 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.191 178.246 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 48.6 m -64.47 -43.3 94.65 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 119.875 -0.73 . . . . 0.0 110.206 179.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 37.9 mt -61.71 -42.82 99.45 Favored 'General case' 0 C--O 1.242 0.664 0 C-N-CA 119.125 -1.03 . . . . 0.0 108.959 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 98.4 mt -62.09 -46.05 97.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 C-N-CA 119.733 -0.787 . . . . 0.0 111.427 178.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -61.71 -41.4 97.56 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 -179.016 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.402 HG21 HD12 ' B' ' 4' ' ' LEU . 14.4 m -73.48 -41.17 56.39 Favored 'Isoleucine or valine' 0 C--O 1.251 1.176 0 C-N-CA 119.326 -0.95 . . . . 0.0 111.583 -179.257 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -60.04 -47.92 83.86 Favored 'General case' 0 CA--C 1.512 -0.514 0 C-N-CA 118.912 -1.115 . . . . 0.0 109.837 177.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -63.25 -35.95 82.03 Favored 'General case' 0 CA--C 1.502 -0.893 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.006 178.246 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.582 ' O ' ' HB2' ' A' ' 21' ' ' LYS . . . -57.27 -51.44 69.34 Favored 'General case' 0 N--CA 1.437 -1.116 0 C-N-CA 118.86 -1.136 . . . . 0.0 109.768 -178.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.479 ' HB2' HD12 ' A' ' 36' ' ' LEU . 45.4 m80 -78.96 -52.97 7.53 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 114.618 1.34 . . . . 0.0 114.618 -179.69 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.482 ' OG ' ' O ' ' A' ' 25' ' ' LYS . 21.3 t -57.97 -42.97 86.18 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 118.392 -1.323 . . . . 0.0 108.909 -178.778 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.91 -45.96 78.41 Favored Glycine 0 C--N 1.345 1.074 0 O-C-N 124.259 0.975 . . . . 0.0 112.414 178.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.582 ' HB2' ' O ' ' A' ' 17' ' ' ALA . 6.4 ttpm? -59.97 -41.79 92.75 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 -178.717 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.476 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 77.4 mm-40 -128.75 149.4 50.72 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 -179.464 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.82 -132.8 52.39 Favored Glycine 0 CA--C 1.523 0.548 0 CA-C-N 114.986 -1.006 . . . . 0.0 113.442 176.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -80.17 125.43 29.82 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-N 114.643 -0.778 . . . . 0.0 109.818 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.482 ' O ' ' OG ' ' A' ' 19' ' ' SER . 33.0 mtmt -58.0 -32.16 67.64 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.346 -0.843 . . . . 0.0 113.087 -177.275 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.608 ' OH ' ' CE2' ' B' ' 90' ' ' TRP . 83.9 m-85 -105.53 18.01 22.92 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 -177.272 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.2 tptt -142.21 139.72 32.09 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 119.719 -0.792 . . . . 0.0 109.254 178.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.7 tp -106.82 128.82 54.59 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 -178.048 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 96.6 p -102.36 166.43 10.56 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.559 -0.292 . . . . 0.0 111.088 -178.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.3 ttpt -53.84 -48.27 70.13 Favored 'General case' 0 C--O 1.24 0.567 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -177.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.594 ' CG ' ' N ' ' A' ' 32' ' ' GLU . 56.1 pttt -60.38 -48.28 82.42 Favored 'General case' 0 N--CA 1.441 -0.908 0 C-N-CA 119.827 -0.749 . . . . 0.0 109.615 -178.321 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.594 ' N ' ' CG ' ' A' ' 31' ' ' LYS . 95.3 mt-10 -63.08 -50.4 70.72 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.34 -0.845 . . . . 0.0 112.487 -178.294 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.1 -36.05 78.65 Favored 'General case' 0 CA--C 1.5 -0.98 0 C-N-CA 118.465 -1.294 . . . . 0.0 110.138 -179.558 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.756 ' NZ ' HE21 ' A' ' 38' ' ' GLN . 13.2 tptp -56.02 -36.46 67.98 Favored 'General case' 0 N--CA 1.433 -1.308 0 C-N-CA 118.174 -1.41 . . . . 0.0 108.149 178.569 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.889 ' O ' HG23 ' A' ' 39' ' ' THR . 97.3 mt-10 -74.54 -41.18 61.04 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 179.236 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.74 HD23 ' O ' ' A' ' 36' ' ' LEU . 4.2 tt -65.96 -44.97 83.43 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 119.875 -0.73 . . . . 0.0 111.392 -176.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.569 ' O ' ' O ' ' A' ' 41' ' ' LEU . 1.2 mm? -64.41 -43.12 95.4 Favored 'General case' 0 C--O 1.226 -0.175 0 C-N-CA 118.729 -1.189 . . . . 0.0 110.836 179.666 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.756 HE21 ' NZ ' ' A' ' 34' ' ' LYS . 97.5 mt-30 -62.94 -38.87 92.77 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 120.315 -0.554 . . . . 0.0 111.28 179.27 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.889 HG23 ' O ' ' A' ' 35' ' ' GLU . 57.9 p -71.05 -33.44 70.28 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.507 -0.477 . . . . 0.0 111.556 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.498 ' OE1' ' N ' ' B' ' 3' ' ' GLU . 78.3 mm-40 -102.12 -59.46 1.7 Allowed 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 -179.051 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.569 ' O ' ' O ' ' A' ' 37' ' ' LEU . 42.3 mt -99.22 141.71 31.65 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.363 0.601 . . . . 0.0 111.5 -178.572 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.47 ' OG ' ' N ' ' A' ' 43' ' ' GLY . 27.3 p -114.61 -61.43 1.75 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.491 179.474 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.47 ' N ' ' OG ' ' A' ' 42' ' ' SER . . . -58.86 -39.27 93.72 Favored Glycine 0 CA--C 1.532 1.128 0 CA-C-N 115.86 -0.609 . . . . 0.0 114.017 -178.235 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -61.72 -51.95 66.27 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 117.925 0.862 . . . . 0.0 112.284 -178.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -73.32 -40.8 64.18 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 120.157 -0.617 . . . . 0.0 111.034 178.368 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -61.59 -33.56 74.1 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.581 -0.736 . . . . 0.0 112.026 -179.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.53 -34.91 71.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.278 -0.419 . . . . 0.0 112.038 -177.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.497 ' C ' ' H ' ' A' ' 50' ' ' ASP . 93.9 mm-40 -61.63 -34.37 75.55 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.184 -0.607 . . . . 0.0 109.748 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 49.2 tttp 66.91 -31.11 0.16 Allowed 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.925 179.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.497 ' H ' ' C ' ' A' ' 48' ' ' GLN . 88.2 m-20 -70.76 142.65 51.39 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.345 -0.542 . . . . 0.0 111.199 -179.767 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.7 m -72.86 -29.63 30.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.671 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -86.48 5.12 36.77 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.323 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.529 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -57.76 -38.6 75.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.905 -178.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.601 HG13 ' N ' ' A' ' 55' ' ' ASP . 7.2 p -59.72 -43.94 92.61 Favored 'Isoleucine or valine' 0 C--O 1.239 0.549 0 C-N-CA 119.848 -0.741 . . . . 0.0 109.97 179.242 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.601 ' N ' HG13 ' A' ' 54' ' ' VAL . 91.5 m-20 -61.66 -43.05 99.6 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.909 179.116 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -61.7 -38.9 89.56 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.301 178.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 53' ' ' ALA . 79.0 t -64.88 -44.47 96.23 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.752 -179.416 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.531 ' CE ' ' O ' ' A' ' 67' ' ' GLY . 0.0 OUTLIER -68.38 -33.11 73.66 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 -178.868 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.62 ' HZ3' ' CB ' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -59.38 -41.6 89.75 Favored 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 -177.597 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -73.3 -37.03 66.36 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 119.681 -0.807 . . . . 0.0 110.987 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.437 ' O ' ' CD ' ' A' ' 73' ' ' GLU . 87.2 mt -67.79 -33.98 75.89 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-N 115.929 -0.578 . . . . 0.0 112.466 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.5 ' OD1' ' OD1' ' A' ' 66' ' ' ASP . 43.8 t0 -75.79 91.82 2.99 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 118.73 -1.188 . . . . 0.0 111.958 -177.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 -65.8 -46.29 79.23 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 122.702 1.239 . . . . 0.0 110.914 176.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 31.4 m120 -59.18 -34.87 72.63 Favored 'General case' 0 C--N 1.299 -1.616 0 CA-C-N 112.263 -2.244 . . . . 0.0 113.036 -178.08 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.443 ' C ' ' OD2' ' A' ' 62' ' ' ASP . . . 89.42 4.21 74.05 Favored Glycine 0 CA--C 1.529 0.934 0 N-CA-C 108.107 -1.997 . . . . 0.0 108.107 -176.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.65 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 49.3 p30 -61.8 -32.13 72.4 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 114.034 -1.083 . . . . 0.0 112.933 -179.669 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.65 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 98.91 -4.1 59.0 Favored Glycine 0 CA--C 1.521 0.456 0 N-CA-C 109.133 -1.587 . . . . 0.0 109.133 -178.407 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.49 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 54.2 mp0 -112.9 156.48 22.89 Favored 'General case' 0 C--O 1.242 0.683 0 CA-C-N 114.468 -0.866 . . . . 0.0 111.057 178.478 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 53.1 t -104.27 132.37 50.98 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 CA-C-N 115.018 -0.992 . . . . 0.0 108.711 177.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -99.18 159.28 15.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.066 0.46 . . . . 0.0 111.121 -178.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -50.6 -44.34 56.95 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.693 -178.203 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.407 ' HG2' HG21 ' B' ' 83' ' ' VAL . 94.1 mt-30 -61.73 -40.48 95.22 Favored 'General case' 0 C--O 1.244 0.778 0 C-N-CA 119.742 -0.783 . . . . 0.0 110.836 178.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.437 ' CD ' ' O ' ' A' ' 61' ' ' LEU . 92.5 mt-10 -65.03 -41.5 95.19 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-O 122.125 0.964 . . . . 0.0 109.903 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.527 ' OH ' ' CD1' ' B' ' 4' ' ' LEU . 59.3 t80 -63.65 -40.87 97.94 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 114.588 -1.187 . . . . 0.0 109.902 178.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.601 HG13 ' HB1' ' B' ' 79' ' ' ALA . 0.5 OUTLIER -61.4 -48.64 87.94 Favored 'Isoleucine or valine' 0 C--O 1.247 0.946 0 CA-C-N 113.77 -1.559 . . . . 0.0 110.258 -179.179 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.408 HG22 ' O ' ' A' ' 73' ' ' GLU . 13.4 m -67.51 -34.42 68.29 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 C-N-CA 118.117 -1.433 . . . . 0.0 109.277 178.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 53.9 tp -56.7 -53.04 62.29 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 119.365 -0.934 . . . . 0.0 112.291 178.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.486 HG11 HD11 ' B' ' 4' ' ' LEU . 31.9 m -70.24 -35.82 64.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 118.777 -1.169 . . . . 0.0 111.916 -178.754 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.651 ' HB2' ' HB2' ' B' ' 79' ' ' ALA . . . -68.86 -48.36 63.64 Favored 'General case' 0 C--O 1.249 1.079 0 C-N-CA 119.077 -1.049 . . . . 0.0 111.728 -179.503 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.07 -40.22 97.02 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 179.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.6 mp -65.39 -33.96 77.19 Favored 'General case' 0 C--O 1.218 -0.569 0 C-N-CA 119.292 -0.963 . . . . 0.0 109.767 176.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 39.2 m -63.05 -49.86 72.89 Favored 'General case' 0 C--O 1.245 0.829 0 C-N-CA 119.605 -0.838 . . . . 0.0 111.306 179.719 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.419 HG21 ' HG2' ' B' ' 72' ' ' GLN . 13.3 p -64.12 -39.21 84.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 118.946 -1.102 . . . . 0.0 110.69 178.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.45 -29.9 70.63 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 121.052 0.454 . . . . 0.0 109.818 178.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 47.6 t -68.38 -54.49 16.91 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.506 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -56.13 -41.26 75.06 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 118.666 -1.214 . . . . 0.0 108.703 178.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -59.73 -38.0 80.47 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.961 178.061 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.528 ' O ' ' O ' ' A' ' 91' ' ' GLU . 67.6 t80 -63.71 -46.27 86.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.282 179.776 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -65.63 -54.25 30.24 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.412 -0.515 . . . . 0.0 112.099 -178.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.61 ' CE2' ' OH ' ' B' ' 26' ' ' TYR . 23.9 t-105 -65.07 -41.27 95.22 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-O 121.218 0.532 . . . . 0.0 112.369 179.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.577 ' OE1' ' N ' ' A' ' 92' ' ' ASN . 1.3 tm-20 -98.32 144.64 27.51 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.961 -177.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.577 ' N ' ' OE1' ' A' ' 91' ' ' GLU . 86.1 m-20 -55.22 -34.31 63.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.896 -179.648 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.4 t . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 118.005 -0.997 . . . . 0.0 110.48 -179.936 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . 0.62 ' O ' ' N ' ' B' ' 3' ' ' GLU . . . . . . . . 0 CA--C 1.524 0.655 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 48.8 m 38.51 18.79 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.585 0.231 . . . . 0.0 111.05 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.62 ' N ' ' O ' ' B' ' 1' ' ' GLY . 97.7 mt-10 -62.04 -36.93 83.09 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.618 -0.433 . . . . 0.0 111.153 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.725 HD23 ' O ' ' B' ' 4' ' ' LEU . 4.5 tt -61.32 -39.72 91.54 Favored 'General case' 0 C--O 1.238 0.467 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.457 ' OE1' ' C ' ' B' ' 5' ' ' GLU . 8.0 tm-20 -62.41 -40.52 96.79 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 114.935 -1.03 . . . . 0.0 109.314 179.09 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 45.2 m -60.11 -39.58 86.68 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 178.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' B' ' 4' ' ' LEU . . . -62.83 -43.4 98.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.92 179.373 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 97.8 mtp -59.64 -41.34 90.3 Favored 'General case' 0 C--O 1.248 0.996 0 CA-C-O 121.906 0.86 . . . . 0.0 109.432 179.016 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -64.69 -36.78 85.38 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.128 178.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 45.5 m -63.63 -43.52 96.59 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 119.817 -0.753 . . . . 0.0 110.386 179.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 43.8 mt -61.9 -42.66 99.34 Favored 'General case' 0 C--O 1.242 0.673 0 C-N-CA 119.16 -1.016 . . . . 0.0 108.834 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 98.4 mt -61.97 -46.14 97.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 C-N-CA 119.697 -0.801 . . . . 0.0 111.465 178.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -61.65 -41.51 97.62 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 -178.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 14.3 m -73.41 -41.19 56.91 Favored 'Isoleucine or valine' 0 C--O 1.252 1.187 0 C-N-CA 119.217 -0.993 . . . . 0.0 111.6 -179.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 92.6 t80 -59.94 -47.99 83.53 Favored 'General case' 0 CA--C 1.51 -0.562 0 C-N-CA 118.974 -1.09 . . . . 0.0 109.848 177.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -63.31 -35.86 81.76 Favored 'General case' 0 CA--C 1.502 -0.887 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.97 178.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.587 ' O ' ' HB2' ' B' ' 21' ' ' LYS . . . -57.26 -51.45 69.3 Favored 'General case' 0 N--CA 1.435 -1.198 0 C-N-CA 118.902 -1.119 . . . . 0.0 109.865 -178.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.481 ' HB2' HD12 ' B' ' 36' ' ' LEU . 45.0 m80 -78.77 -53.17 7.4 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 114.595 1.332 . . . . 0.0 114.595 -179.728 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.486 ' OG ' ' O ' ' B' ' 25' ' ' LYS . 21.1 t -57.96 -42.94 86.02 Favored 'General case' 0 CA--C 1.52 -0.197 0 C-N-CA 118.477 -1.289 . . . . 0.0 108.982 -178.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.07 -45.87 78.12 Favored Glycine 0 C--N 1.346 1.088 0 O-C-N 124.23 0.956 . . . . 0.0 112.426 178.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.587 ' HB2' ' O ' ' B' ' 17' ' ' ALA . 6.4 ttpm? -60.04 -41.65 92.74 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 -178.775 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.488 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 77.3 mm-40 -128.82 149.49 50.72 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 113.747 1.017 . . . . 0.0 113.747 -179.52 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.7 -132.8 52.14 Favored Glycine 0 CA--C 1.524 0.621 0 CA-C-N 114.952 -1.022 . . . . 0.0 113.346 176.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -80.12 125.43 29.8 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 114.629 -0.786 . . . . 0.0 109.862 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.486 ' O ' ' OG ' ' B' ' 19' ' ' SER . 32.9 mtmt -58.07 -32.06 67.67 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.354 -0.839 . . . . 0.0 113.095 -177.222 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.61 ' OH ' ' CE2' ' A' ' 90' ' ' TRP . 84.0 m-85 -105.52 17.97 22.98 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.921 0.712 . . . . 0.0 112.921 -177.323 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 39.7 tptt -142.1 139.87 32.33 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 119.687 -0.805 . . . . 0.0 109.339 178.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 17.5 tp -106.95 128.88 54.72 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 -178.094 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 96.4 p -102.45 166.44 10.54 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.064 -178.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 22.3 ttpt -53.82 -48.38 69.96 Favored 'General case' 0 C--O 1.24 0.557 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -177.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.6 ' HG3' ' N ' ' B' ' 32' ' ' GLU . 56.0 pttt -60.37 -48.17 82.92 Favored 'General case' 0 N--CA 1.44 -0.929 0 C-N-CA 119.706 -0.798 . . . . 0.0 109.706 -178.354 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.6 ' N ' ' HG3' ' B' ' 31' ' ' LYS . 95.2 mt-10 -63.05 -50.41 70.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.321 -0.854 . . . . 0.0 112.476 -178.374 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.06 -36.09 78.67 Favored 'General case' 0 CA--C 1.499 -1.007 0 C-N-CA 118.448 -1.301 . . . . 0.0 110.142 -179.522 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.767 ' NZ ' HE21 ' B' ' 38' ' ' GLN . 13.2 tptp -56.0 -36.45 67.93 Favored 'General case' 0 N--CA 1.434 -1.25 0 C-N-CA 118.208 -1.397 . . . . 0.0 108.085 178.626 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.889 ' O ' HG23 ' B' ' 39' ' ' THR . 97.4 mt-10 -74.59 -41.18 60.93 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 179.336 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.743 HD23 ' O ' ' B' ' 36' ' ' LEU . 4.2 tt -65.91 -44.96 83.67 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 119.866 -0.733 . . . . 0.0 111.475 -176.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.57 ' O ' ' O ' ' B' ' 41' ' ' LEU . 1.2 mm? -64.46 -43.1 95.28 Favored 'General case' 0 CA--C 1.52 -0.196 0 C-N-CA 118.728 -1.189 . . . . 0.0 110.752 179.63 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.767 HE21 ' NZ ' ' B' ' 34' ' ' LYS . 97.6 mt-30 -63.02 -38.83 92.76 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.357 -0.537 . . . . 0.0 111.206 179.373 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.889 HG23 ' O ' ' B' ' 35' ' ' GLU . 58.8 p -71.06 -33.4 70.23 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.533 -0.467 . . . . 0.0 111.633 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.498 ' OE1' ' N ' ' A' ' 3' ' ' GLU . 78.4 mm-40 -102.21 -59.37 1.71 Allowed 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 -179.07 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.57 ' O ' ' O ' ' B' ' 37' ' ' LEU . 42.6 mt -99.2 141.61 31.75 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.253 0.549 . . . . 0.0 111.594 -178.615 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.473 ' OG ' ' N ' ' B' ' 43' ' ' GLY . 27.5 p -114.57 -61.36 1.76 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.496 179.504 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . 0.473 ' N ' ' OG ' ' B' ' 42' ' ' SER . . . -58.91 -39.34 93.91 Favored Glycine 0 CA--C 1.531 1.079 0 CA-C-N 115.872 -0.604 . . . . 0.0 113.983 -178.213 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -61.66 -51.95 66.33 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 117.976 0.888 . . . . 0.0 112.337 -178.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -73.27 -40.85 64.26 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 120.155 -0.618 . . . . 0.0 111.042 178.314 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -61.51 -33.59 74.07 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.622 -0.717 . . . . 0.0 112.088 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.48 -34.95 71.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 112.05 -177.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.498 ' C ' ' H ' ' B' ' 50' ' ' ASP . 93.9 mm-40 -61.69 -34.32 75.54 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.133 -0.627 . . . . 0.0 109.744 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 49.2 tttp 66.84 -31.03 0.16 Allowed 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.93 179.612 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . 0.498 ' H ' ' C ' ' B' ' 48' ' ' GLN . 87.8 m-20 -70.75 142.51 51.41 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.406 -0.518 . . . . 0.0 111.223 -179.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 4.7 m -72.75 -29.66 30.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.629 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -86.5 5.13 36.84 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.276 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.53 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -57.71 -38.77 75.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.86 -178.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.616 HG13 ' N ' ' B' ' 55' ' ' ASP . 7.0 p -59.65 -43.87 92.22 Favored 'Isoleucine or valine' 0 C--O 1.239 0.538 0 C-N-CA 119.808 -0.757 . . . . 0.0 109.994 179.277 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.616 ' N ' HG13 ' B' ' 54' ' ' VAL . 91.6 m-20 -61.71 -42.98 99.67 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.873 179.131 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -61.68 -38.99 89.84 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.349 178.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.53 HG23 ' O ' ' B' ' 53' ' ' ALA . 79.0 t -64.9 -44.33 96.21 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.832 -179.46 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.53 ' CE ' ' O ' ' B' ' 67' ' ' GLY . 0.0 OUTLIER -68.45 -33.07 73.54 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 113.742 1.016 . . . . 0.0 113.742 -178.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.606 ' CB ' ' NZ ' ' B' ' 59' ' ' LYS . 0.1 OUTLIER -59.34 -41.7 89.8 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -177.645 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -73.22 -37.02 66.57 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 119.716 -0.794 . . . . 0.0 111.061 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.438 ' O ' ' CD ' ' B' ' 73' ' ' GLU . 87.0 mt -67.72 -34.09 76.16 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 115.897 -0.592 . . . . 0.0 112.446 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.495 ' OD1' ' OD1' ' B' ' 66' ' ' ASP . 43.9 t0 -75.7 91.75 2.93 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 118.734 -1.186 . . . . 0.0 112.041 -177.618 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -65.67 -46.35 79.42 Favored 'General case' 0 CA--C 1.509 -0.634 0 CA-C-O 122.82 1.295 . . . . 0.0 110.99 176.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 31.4 m120 -59.18 -34.88 72.65 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-N 112.182 -2.281 . . . . 0.0 113.006 -178.049 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.443 ' C ' ' OD2' ' B' ' 62' ' ' ASP . . . 89.45 4.18 73.98 Favored Glycine 0 CA--C 1.528 0.89 0 N-CA-C 108.18 -1.968 . . . . 0.0 108.18 -176.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.647 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 49.7 p30 -61.73 -32.13 72.34 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 113.958 -1.121 . . . . 0.0 112.919 -179.675 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.647 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 98.85 -4.02 59.08 Favored Glycine 0 CA--C 1.521 0.417 0 N-CA-C 109.185 -1.566 . . . . 0.0 109.185 -178.332 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.521 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 54.2 mp0 -112.98 156.52 22.89 Favored 'General case' 0 C--O 1.243 0.717 0 CA-C-N 114.458 -0.871 . . . . 0.0 111.164 178.456 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 54.2 t -104.36 132.53 50.74 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 CA-C-N 115.08 -0.964 . . . . 0.0 108.626 178.081 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -98.9 159.2 15.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.072 0.463 . . . . 0.0 111.024 -178.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -50.71 -44.33 58.02 Favored 'General case' 0 C--O 1.22 -0.485 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.633 -178.473 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.419 ' HG2' HG21 ' A' ' 83' ' ' VAL . 94.1 mt-30 -61.73 -40.51 95.31 Favored 'General case' 0 C--O 1.244 0.791 0 C-N-CA 119.784 -0.766 . . . . 0.0 110.824 178.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.438 ' CD ' ' O ' ' B' ' 61' ' ' LEU . 92.7 mt-10 -64.99 -41.53 95.31 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-O 122.164 0.983 . . . . 0.0 109.931 179.791 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . 0.525 ' OH ' ' CD1' ' A' ' 4' ' ' LEU . 59.1 t80 -63.56 -40.98 98.37 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-N 114.518 -1.219 . . . . 0.0 109.913 178.734 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.613 HG13 ' HB1' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -61.47 -48.59 88.13 Favored 'Isoleucine or valine' 0 C--O 1.247 0.961 0 CA-C-N 113.708 -1.587 . . . . 0.0 110.27 -179.154 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.405 HG22 ' O ' ' B' ' 73' ' ' GLU . 13.3 m -67.49 -34.45 68.56 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 C-N-CA 118.093 -1.443 . . . . 0.0 109.241 178.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 54.0 tp -56.66 -52.99 62.79 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 119.415 -0.914 . . . . 0.0 112.293 178.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.487 HG11 HD11 ' A' ' 4' ' ' LEU . 31.9 m -70.34 -35.71 63.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 C-N-CA 118.832 -1.147 . . . . 0.0 111.945 -178.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.651 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . . . -68.96 -48.31 63.5 Favored 'General case' 0 C--O 1.249 1.053 0 C-N-CA 118.983 -1.087 . . . . 0.0 111.718 -179.537 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.09 -40.26 97.14 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 179.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 5.5 mp -65.34 -34.01 77.32 Favored 'General case' 0 C--O 1.218 -0.569 0 C-N-CA 119.237 -0.985 . . . . 0.0 109.77 176.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 39.3 m -62.98 -49.82 73.18 Favored 'General case' 0 C--O 1.244 0.771 0 C-N-CA 119.633 -0.827 . . . . 0.0 111.298 179.762 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.407 HG21 ' HG2' ' A' ' 72' ' ' GLN . 13.4 p -64.16 -39.23 84.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 C-N-CA 118.976 -1.09 . . . . 0.0 110.693 178.768 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.51 -29.74 70.42 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 121.116 0.484 . . . . 0.0 109.869 178.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 47.5 t -68.45 -54.49 16.67 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.554 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -56.16 -41.25 75.15 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 118.669 -1.213 . . . . 0.0 108.699 178.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -59.73 -37.98 80.45 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.955 178.112 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.518 ' O ' ' O ' ' B' ' 91' ' ' GLU . 67.7 t80 -63.81 -46.21 86.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.213 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -65.66 -54.27 29.83 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.431 -0.507 . . . . 0.0 112.028 -178.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.608 ' CE2' ' OH ' ' A' ' 26' ' ' TYR . 23.8 t-105 -65.14 -41.19 95.0 Favored 'General case' 0 CA--C 1.52 -0.197 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.588 ' OE1' ' N ' ' B' ' 92' ' ' ASN . 1.3 tm-20 -98.3 144.65 27.49 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.914 -177.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . 0.588 ' N ' ' OE1' ' B' ' 91' ' ' GLU . 86.1 m-20 -55.24 -34.36 63.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.903 -179.715 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 4.4 t . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 117.915 -1.041 . . . . 0.0 110.508 179.976 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 201' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.725 ' H2 ' ' CD ' ' B' ' 40' ' ' GLU . . . . . . . . 0 CA--C 1.525 0.671 0 N-CA-C 111.387 -0.685 . . . . 0.0 111.387 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.0 p -68.54 -17.42 64.15 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -179.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -59.27 -40.88 87.47 Favored 'General case' 0 C--O 1.237 0.427 0 N-CA-C 113.472 0.916 . . . . 0.0 113.472 -176.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.648 HD23 ' O ' ' A' ' 4' ' ' LEU . 2.1 tt -63.98 -42.43 97.24 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 118.069 -1.453 . . . . 0.0 107.89 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.602 ' OE2' HD22 ' B' ' 41' ' ' LEU . 72.0 mm-40 -66.15 -36.62 83.6 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.673 177.535 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 44.7 m -59.19 -42.07 90.02 Favored 'General case' 0 C--O 1.239 0.527 0 C-N-CA 119.475 -0.89 . . . . 0.0 108.925 179.241 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.31 -45.69 86.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.322 179.082 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 99.4 mtp -59.71 -41.02 89.9 Favored 'General case' 0 C--O 1.244 0.804 0 CA-C-O 121.453 0.644 . . . . 0.0 110.123 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -64.79 -36.62 84.9 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.731 177.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 55.3 m -63.64 -42.21 98.16 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 119.49 -0.884 . . . . 0.0 109.871 178.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 38.0 mt -59.55 -43.05 93.66 Favored 'General case' 0 C--O 1.24 0.566 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 98.3 mt -61.86 -45.49 98.58 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.12 0 CA-C-N 115.009 -0.996 . . . . 0.0 111.819 178.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -61.39 -41.34 96.95 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.551 0.575 . . . . 0.0 112.551 -178.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 16.0 m -72.81 -38.64 57.91 Favored 'Isoleucine or valine' 0 C--O 1.256 1.426 0 C-N-CA 118.701 -1.2 . . . . 0.0 110.107 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.588 ' O ' ' HD2' ' A' ' 18' ' ' HIS . 89.1 t80 -60.94 -42.7 98.73 Favored 'General case' 0 C--N 1.349 0.563 0 CA-C-O 122.119 0.961 . . . . 0.0 110.131 177.144 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -67.57 -33.84 75.84 Favored 'General case' 0 N--CA 1.435 -1.219 0 C-N-CA 119.65 -0.82 . . . . 0.0 109.199 177.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.557 ' O ' ' HB2' ' A' ' 21' ' ' LYS . . . -59.63 -51.13 71.15 Favored 'General case' 0 N--CA 1.437 -1.121 0 C-N-CA 118.795 -1.162 . . . . 0.0 111.079 -178.697 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.588 ' HD2' ' O ' ' A' ' 15' ' ' PHE . 0.5 OUTLIER -80.76 -49.11 11.57 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 117.127 -1.829 . . . . 0.0 113.753 179.864 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.564 ' H ' ' CD2' ' A' ' 18' ' ' HIS . 22.9 t -60.86 -41.0 95.06 Favored 'General case' 0 C--N 1.35 0.61 0 C-N-CA 118.318 -1.353 . . . . 0.0 109.542 -179.54 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.21 -45.18 62.56 Favored Glycine 0 C--N 1.343 0.937 0 O-C-N 123.976 0.798 . . . . 0.0 112.086 178.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.557 ' HB2' ' O ' ' A' ' 17' ' ' ALA . 6.1 ttpm? -59.43 -41.87 90.55 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.225 -0.59 . . . . 0.0 112.114 -179.399 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.439 ' C ' ' OE2' ' A' ' 32' ' ' GLU . 97.1 mt-10 -129.18 153.29 47.87 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 54.6 -146.05 26.97 Favored Glycine 0 N--CA 1.465 0.573 0 CA-C-N 115.551 -0.749 . . . . 0.0 112.461 177.577 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -71.07 138.04 49.45 Favored 'General case' 0 CA--C 1.52 -0.181 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 179.255 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.49 ' O ' ' OG ' ' A' ' 19' ' ' SER . 34.5 mtmt -61.26 -32.28 72.09 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 -178.269 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.617 ' OH ' ' CD2' ' B' ' 90' ' ' TRP . 97.6 m-85 -107.17 18.82 21.22 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 113.472 0.916 . . . . 0.0 113.472 -177.423 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.6 tptt -140.83 139.63 34.53 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 119.238 -0.985 . . . . 0.0 108.82 177.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.513 HD22 ' CE1' ' A' ' 18' ' ' HIS . 18.5 tp -112.46 132.02 55.27 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 111.979 0.362 . . . . 0.0 111.979 -176.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 91.7 p -102.76 164.71 11.47 Favored 'General case' 0 C--O 1.239 0.522 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 179.158 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.0 ttpt -53.51 -45.97 69.91 Favored 'General case' 0 C--O 1.243 0.72 0 CA-C-O 121.346 0.593 . . . . 0.0 111.941 -177.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.591 ' HG3' ' N ' ' A' ' 32' ' ' GLU . 55.1 pttt -59.29 -46.77 87.65 Favored 'General case' 0 N--CA 1.438 -1.067 0 C-N-CA 119.779 -0.769 . . . . 0.0 109.909 -178.651 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.591 ' N ' ' HG3' ' A' ' 31' ' ' LYS . 94.0 mt-10 -62.04 -49.23 76.85 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 119.619 -0.833 . . . . 0.0 111.815 -177.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.45 HD22 HG21 ' A' ' 69' ' ' VAL . 0.1 OUTLIER -58.48 -37.57 75.81 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 116.393 -2.123 . . . . 0.0 108.712 178.551 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.783 ' NZ ' HE21 ' A' ' 38' ' ' GLN . 13.2 tptp -53.66 -36.59 62.29 Favored 'General case' 0 N--CA 1.441 -0.924 0 C-N-CA 117.934 -1.506 . . . . 0.0 108.227 -178.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.896 ' O ' HG23 ' A' ' 39' ' ' THR . 97.1 mt-10 -73.02 -43.44 62.1 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 120.093 -0.643 . . . . 0.0 112.289 178.678 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.829 HD23 ' O ' ' A' ' 36' ' ' LEU . 5.5 tt -68.06 -47.76 67.45 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 118.764 -1.174 . . . . 0.0 112.125 -177.587 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.549 ' O ' ' O ' ' A' ' 41' ' ' LEU . 1.8 mm? -59.09 -42.46 90.52 Favored 'General case' 0 CA--C 1.518 -0.251 0 C-N-CA 118.287 -1.365 . . . . 0.0 109.998 -178.656 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.783 HE21 ' NZ ' ' A' ' 34' ' ' LYS . 97.8 mt-30 -64.53 -39.95 94.72 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.245 -0.582 . . . . 0.0 111.955 178.487 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.896 HG23 ' O ' ' A' ' 35' ' ' GLU . 60.0 p -70.32 -40.81 73.95 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 120.034 -0.666 . . . . 0.0 112.617 -178.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.745 ' CD ' ' H2 ' ' B' ' 1' ' ' GLY . 80.7 mm-40 -92.12 -50.88 5.45 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.593 HD22 ' OE2' ' B' ' 5' ' ' GLU . 26.1 mt -103.47 141.77 35.41 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-O 121.289 0.566 . . . . 0.0 112.014 -177.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.1 m -113.35 -65.41 1.19 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.243 178.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.15 -38.02 92.54 Favored Glycine 0 CA--C 1.533 1.17 0 CA-C-N 115.457 -0.792 . . . . 0.0 114.121 -178.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -59.92 -53.03 62.62 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 118.154 0.977 . . . . 0.0 112.393 -177.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -74.16 -37.23 64.07 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 120.517 -0.473 . . . . 0.0 111.564 178.325 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -59.06 -29.6 67.43 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.503 -179.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.21 -29.84 58.77 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.728 -177.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.2 mm-40 -92.46 118.42 30.94 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 119.482 -0.887 . . . . 0.0 109.854 179.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -63.31 -36.53 83.98 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 113.758 1.021 . . . . 0.0 113.758 -179.028 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -70.38 142.34 52.1 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 -177.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.4 m -74.03 -27.34 22.1 Favored 'Isoleucine or valine' 0 C--O 1.231 0.1 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.323 178.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -78.73 0.07 28.24 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.488 179.423 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.457 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -56.91 -37.25 71.17 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.262 -0.881 . . . . 0.0 109.994 -179.383 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.605 HG13 ' N ' ' A' ' 55' ' ' ASP . 8.0 p -60.19 -43.04 92.33 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 C-N-CA 119.802 -0.759 . . . . 0.0 109.768 178.72 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.605 ' N ' HG13 ' A' ' 54' ' ' VAL . 22.0 t70 -61.51 -42.39 98.73 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 179.062 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -61.68 -39.49 91.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.762 179.198 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 53' ' ' ALA . 77.1 t -65.68 -45.23 92.63 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 CA-C-N 116.081 -0.508 . . . . 0.0 112.077 -179.47 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.5 ppp? -66.62 -33.38 75.52 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 -177.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 29.1 mmtm -59.31 -39.86 84.39 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 118.871 -1.132 . . . . 0.0 110.423 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -64.08 -38.9 92.75 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.476 178.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 63.5 mt -67.89 -35.84 79.19 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-N 115.481 -0.782 . . . . 0.0 112.303 -178.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.487 ' CG ' ' H ' ' A' ' 65' ' ' GLY . 44.1 t0 -72.09 73.83 0.92 Allowed 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 118.414 -1.314 . . . . 0.0 110.577 -178.138 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -63.24 -37.83 88.79 Favored 'General case' 0 CA--C 1.497 -1.077 0 N-CA-C 106.986 -1.487 . . . . 0.0 106.986 175.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.475 ' OD1' ' CG ' ' A' ' 66' ' ' ASP . 18.1 t-20 -58.05 -39.8 79.35 Favored 'General case' 0 N--CA 1.43 -1.461 0 CA-C-N 111.583 -2.553 . . . . 0.0 111.289 178.51 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.487 ' H ' ' CG ' ' A' ' 62' ' ' ASP . . . 79.9 18.9 71.48 Favored Glycine 0 CA--C 1.53 0.99 0 CA-C-N 116.252 -0.431 . . . . 0.0 112.881 178.069 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.512 ' O ' ' OE1' ' A' ' 68' ' ' GLU . 54.9 p30 -89.59 2.29 54.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 117.487 0.644 . . . . 0.0 112.666 -179.543 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 87.68 -2.8 86.22 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.221 -1.152 . . . . 0.0 110.221 179.242 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.512 ' OE1' ' O ' ' A' ' 66' ' ' ASP . 51.5 mp0 -120.5 158.94 26.2 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.842 -0.679 . . . . 0.0 111.338 179.52 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.45 HG21 HD22 ' A' ' 33' ' ' LEU . 48.7 t -104.71 130.14 56.14 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 N-CA-C 106.724 -1.584 . . . . 0.0 106.724 176.34 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -101.84 161.72 13.45 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.226 0.536 . . . . 0.0 111.584 -177.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -50.26 -43.8 53.41 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-N 115.401 -0.818 . . . . 0.0 108.984 -178.559 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -61.76 -40.14 94.07 Favored 'General case' 0 C--O 1.245 0.833 0 C-N-CA 119.83 -0.748 . . . . 0.0 110.686 178.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.477 ' O ' HG22 ' A' ' 76' ' ' VAL . 74.2 mt-10 -64.69 -42.44 95.32 Favored 'General case' 0 C--O 1.242 0.705 0 CA-C-O 122.263 1.03 . . . . 0.0 109.85 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -63.12 -41.32 99.32 Favored 'General case' 0 C--O 1.241 0.623 0 CA-C-N 114.653 -1.158 . . . . 0.0 110.321 178.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.607 HG13 ' HB1' ' B' ' 79' ' ' ALA . 0.5 OUTLIER -59.94 -47.96 89.64 Favored 'Isoleucine or valine' 0 C--O 1.248 1.01 0 CA-C-N 113.623 -1.626 . . . . 0.0 109.967 -179.163 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.477 HG22 ' O ' ' A' ' 73' ' ' GLU . 15.5 m -67.27 -34.86 71.8 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.573 0 C-N-CA 117.804 -1.559 . . . . 0.0 109.386 178.566 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.572 ' O ' HD13 ' A' ' 81' ' ' LEU . 34.8 tp -56.56 -51.81 67.17 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 118.793 -1.163 . . . . 0.0 111.992 178.276 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 35.5 m -68.84 -36.27 73.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 118.316 -1.354 . . . . 0.0 111.738 -178.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.67 ' HB2' ' HB2' ' B' ' 79' ' ' ALA . . . -68.4 -47.8 66.38 Favored 'General case' 0 C--O 1.248 1.006 0 C-N-CA 119.064 -1.054 . . . . 0.0 111.991 -179.369 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.25 -40.07 96.4 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 179.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.572 HD13 ' O ' ' A' ' 77' ' ' LEU . 9.2 mp -64.36 -34.93 79.3 Favored 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 119.231 -0.988 . . . . 0.0 109.684 176.652 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 36.6 m -63.18 -49.84 72.69 Favored 'General case' 0 C--O 1.246 0.88 0 C-N-CA 119.853 -0.739 . . . . 0.0 111.638 179.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.43 ' O ' ' OD1' ' A' ' 87' ' ' ASN . 14.5 p -63.1 -39.21 84.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 118.956 -1.097 . . . . 0.0 110.29 178.697 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.44 -30.72 71.54 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 121.035 0.445 . . . . 0.0 110.041 178.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 5.5 t -67.13 -54.23 23.23 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.35 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 35.0 t30 -56.07 -41.29 74.89 Favored 'General case' 0 C--O 1.239 0.513 0 C-N-CA 118.703 -1.199 . . . . 0.0 108.777 179.048 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.715 ' O ' ' HB2' ' A' ' 91' ' ' GLU . 25.3 m120 -59.95 -41.69 92.4 Favored 'General case' 0 C--O 1.203 -1.366 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.203 178.374 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.549 ' O ' ' O ' ' A' ' 91' ' ' GLU . 68.0 t80 -64.32 -41.6 96.74 Favored 'General case' 0 C--N 1.302 -1.486 0 C-N-CA 118.214 -1.394 . . . . 0.0 111.096 179.357 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -64.91 -59.83 3.75 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 119.907 -0.717 . . . . 0.0 112.272 -178.342 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.615 ' CD2' ' OH ' ' B' ' 26' ' ' TYR . 21.2 t-105 -68.09 -42.59 80.12 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 119.898 -0.721 . . . . 0.0 111.777 179.184 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.715 ' HB2' ' O ' ' A' ' 87' ' ' ASN . 60.4 mm-40 -98.7 146.38 25.93 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.751 -1.113 . . . . 0.0 111.708 -179.068 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 40.9 p-10 -138.88 -178.07 5.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.461 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 33.4 m . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.545 179.973 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . 0.745 ' H2 ' ' CD ' ' A' ' 40' ' ' GLU . . . . . . . . 0 CA--C 1.525 0.706 0 N-CA-C 111.331 -0.708 . . . . 0.0 111.331 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 83.9 p -68.41 -17.53 64.24 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -179.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -59.26 -40.86 87.33 Favored 'General case' 0 C--O 1.238 0.461 0 N-CA-C 113.507 0.928 . . . . 0.0 113.507 -176.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.643 HD23 ' O ' ' B' ' 4' ' ' LEU . 2.1 tt -63.98 -42.47 97.22 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 118.027 -1.469 . . . . 0.0 107.906 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.593 ' OE2' HD22 ' A' ' 41' ' ' LEU . 72.1 mm-40 -66.01 -36.65 83.84 Favored 'General case' 0 C--O 1.22 -0.47 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.726 177.434 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 44.2 m -59.29 -41.83 89.86 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 119.469 -0.892 . . . . 0.0 108.888 179.301 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.55 -45.61 86.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.407 179.04 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 99.3 mtp -59.69 -41.02 89.79 Favored 'General case' 0 C--O 1.246 0.889 0 CA-C-O 121.429 0.633 . . . . 0.0 110.21 179.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -64.74 -37.32 87.2 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.619 178.01 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 54.0 m -62.84 -42.46 99.75 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 119.456 -0.898 . . . . 0.0 110.042 178.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 43.2 mt -59.48 -43.02 93.36 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 98.3 mt -61.71 -45.55 98.43 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.121 0 CA-C-N 115.006 -0.997 . . . . 0.0 111.796 178.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -61.35 -41.44 97.06 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 -178.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 16.0 m -72.83 -38.65 57.74 Favored 'Isoleucine or valine' 0 C--O 1.256 1.398 0 C-N-CA 118.723 -1.191 . . . . 0.0 110.112 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.599 ' O ' ' HD2' ' B' ' 18' ' ' HIS . 88.9 t80 -60.83 -42.79 98.41 Favored 'General case' 0 C--N 1.348 0.511 0 CA-C-O 122.192 0.996 . . . . 0.0 110.205 177.034 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -67.56 -33.84 75.86 Favored 'General case' 0 N--CA 1.435 -1.186 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.207 177.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.558 ' O ' ' HB2' ' B' ' 21' ' ' LYS . . . -59.7 -51.04 71.5 Favored 'General case' 0 N--CA 1.435 -1.184 0 C-N-CA 118.82 -1.152 . . . . 0.0 111.118 -178.707 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.599 ' HD2' ' O ' ' B' ' 15' ' ' PHE . 0.5 OUTLIER -80.77 -49.12 11.55 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 117.165 -1.814 . . . . 0.0 113.738 179.859 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.574 ' H ' ' CD2' ' B' ' 18' ' ' HIS . 23.2 t -60.89 -40.97 95.06 Favored 'General case' 0 C--N 1.349 0.586 0 C-N-CA 118.278 -1.369 . . . . 0.0 109.593 -179.552 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.26 -45.14 62.46 Favored Glycine 0 C--N 1.344 0.984 0 CA-C-N 115.524 -0.762 . . . . 0.0 112.037 178.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.558 ' HB2' ' O ' ' B' ' 17' ' ' ALA . 6.1 ttpm? -59.39 -41.96 90.6 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.214 -0.594 . . . . 0.0 112.074 -179.388 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.44 ' C ' ' OE2' ' B' ' 32' ' ' GLU . 97.2 mt-10 -129.09 153.36 47.72 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 54.45 -145.88 26.6 Favored Glycine 0 N--CA 1.465 0.602 0 CA-C-N 115.607 -0.724 . . . . 0.0 112.458 177.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -71.12 138.06 49.37 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 179.375 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.495 ' O ' ' OG ' ' B' ' 19' ' ' SER . 34.6 mtmt -61.36 -32.28 72.18 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -178.296 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.615 ' OH ' ' CD2' ' A' ' 90' ' ' TRP . 97.7 m-85 -107.09 18.76 21.33 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 -177.505 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 31.6 tptt -140.74 139.77 34.72 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 119.238 -0.985 . . . . 0.0 108.991 177.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.512 HD22 ' CE1' ' B' ' 18' ' ' HIS . 18.4 tp -112.57 132.0 55.34 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -176.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 91.7 p -102.78 164.8 11.42 Favored 'General case' 0 C--O 1.238 0.485 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 179.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 20.0 ttpt -53.69 -45.83 70.51 Favored 'General case' 0 C--O 1.243 0.75 0 CA-C-O 121.258 0.552 . . . . 0.0 111.947 -176.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.593 ' HG3' ' N ' ' B' ' 32' ' ' GLU . 55.1 pttt -59.39 -46.74 87.83 Favored 'General case' 0 N--CA 1.439 -1.022 0 C-N-CA 119.737 -0.785 . . . . 0.0 109.848 -178.665 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.593 ' N ' ' HG3' ' B' ' 31' ' ' LYS . 94.0 mt-10 -61.98 -49.24 76.86 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 119.656 -0.818 . . . . 0.0 111.802 -177.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.434 HD22 HG21 ' B' ' 69' ' ' VAL . 0.1 OUTLIER -58.51 -37.57 75.87 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 116.464 -2.094 . . . . 0.0 108.662 178.564 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.802 ' HZ1' HE21 ' B' ' 38' ' ' GLN . 13.2 tptp -53.66 -36.62 62.32 Favored 'General case' 0 N--CA 1.441 -0.896 0 C-N-CA 117.944 -1.503 . . . . 0.0 108.227 -178.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.896 ' O ' HG23 ' B' ' 39' ' ' THR . 97.1 mt-10 -73.04 -43.39 62.08 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 120.062 -0.655 . . . . 0.0 112.28 178.692 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.835 HD23 ' O ' ' B' ' 36' ' ' LEU . 5.5 tt -68.15 -47.68 67.4 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 118.678 -1.209 . . . . 0.0 112.16 -177.567 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.55 ' O ' ' O ' ' B' ' 41' ' ' LEU . 1.8 mm? -58.97 -42.52 90.14 Favored 'General case' 0 CA--C 1.518 -0.254 0 C-N-CA 118.3 -1.36 . . . . 0.0 110.052 -178.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.802 HE21 ' HZ1' ' B' ' 34' ' ' LYS . 97.9 mt-30 -64.59 -40.0 94.74 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.274 -0.57 . . . . 0.0 111.9 178.581 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.896 HG23 ' O ' ' B' ' 35' ' ' GLU . 59.5 p -70.25 -40.75 74.24 Favored 'General case' 0 N--CA 1.462 0.163 0 C-N-CA 119.955 -0.698 . . . . 0.0 112.635 -178.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.725 ' CD ' ' H2 ' ' A' ' 1' ' ' GLY . 80.7 mm-40 -92.17 -50.86 5.46 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.602 HD22 ' OE2' ' A' ' 5' ' ' GLU . 26.1 mt -103.41 141.68 35.55 Favored 'General case' 0 N--CA 1.461 0.09 0 CA-C-O 121.228 0.537 . . . . 0.0 112.079 -178.036 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.1 m -113.34 -65.33 1.2 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.217 178.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.12 -38.08 92.57 Favored Glycine 0 CA--C 1.533 1.191 0 CA-C-N 115.565 -0.743 . . . . 0.0 114.167 -178.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -59.91 -53.01 62.9 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 118.071 0.935 . . . . 0.0 112.379 -177.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -74.13 -37.31 64.12 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 120.578 -0.449 . . . . 0.0 111.538 178.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -59.07 -29.58 67.43 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.49 -179.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.21 -29.81 58.69 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.714 -177.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 89.2 mm-40 -92.5 118.41 30.95 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 119.589 -0.844 . . . . 0.0 109.768 179.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -63.4 -36.47 83.84 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 113.782 1.031 . . . . 0.0 113.782 -179.047 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -70.43 142.29 52.01 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.727 0.639 . . . . 0.0 112.727 -177.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 4.4 m -73.92 -27.38 22.4 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.373 178.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -78.68 -0.08 28.66 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.23 -0.895 . . . . 0.0 109.419 179.439 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.447 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -56.79 -37.3 70.93 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.07 -179.413 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.602 HG13 ' N ' ' B' ' 55' ' ' ASP . 7.9 p -60.1 -43.1 92.11 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.298 0 C-N-CA 119.828 -0.749 . . . . 0.0 109.816 178.675 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.602 ' N ' HG13 ' B' ' 54' ' ' VAL . 22.0 t70 -61.57 -42.35 98.72 Favored 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 179.106 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -61.69 -39.52 91.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.845 179.109 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.447 HG23 ' O ' ' B' ' 53' ' ' ALA . 76.6 t -65.63 -45.21 92.86 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 CA-C-N 116.068 -0.515 . . . . 0.0 112.137 -179.574 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 1.5 ppp? -66.59 -33.35 75.47 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 114.66 1.356 . . . . 0.0 114.66 -177.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 29.1 mmtm -59.4 -39.82 84.63 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 118.853 -1.139 . . . . 0.0 110.325 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -64.13 -38.82 92.45 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.116 0.484 . . . . 0.0 110.541 178.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 63.6 mt -67.91 -35.89 79.25 Favored 'General case' 0 CA--C 1.511 -0.552 0 CA-C-N 115.503 -0.772 . . . . 0.0 112.265 -178.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.493 ' CG ' ' H ' ' B' ' 65' ' ' GLY . 44.0 t0 -72.11 73.83 0.92 Allowed 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 118.386 -1.326 . . . . 0.0 110.616 -178.163 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -63.16 -37.83 88.76 Favored 'General case' 0 CA--C 1.498 -1.034 0 N-CA-C 107.027 -1.472 . . . . 0.0 107.027 175.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.479 ' OD1' ' OD2' ' B' ' 66' ' ' ASP . 18.1 t-20 -58.12 -39.76 79.51 Favored 'General case' 0 N--CA 1.43 -1.449 0 CA-C-N 111.555 -2.566 . . . . 0.0 111.234 178.532 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.493 ' H ' ' CG ' ' B' ' 62' ' ' ASP . . . 79.93 18.84 71.55 Favored Glycine 0 CA--C 1.53 0.996 0 C-N-CA 121.39 -0.433 . . . . 0.0 112.891 178.101 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.518 ' O ' ' OE1' ' B' ' 68' ' ' GLU . 54.7 p30 -89.59 2.39 54.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 117.499 0.649 . . . . 0.0 112.717 -179.559 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 87.62 -2.8 86.31 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.145 -1.182 . . . . 0.0 110.145 179.185 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.518 ' OE1' ' O ' ' B' ' 66' ' ' ASP . 51.7 mp0 -120.52 159.0 26.07 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.922 -0.639 . . . . 0.0 111.26 179.519 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.434 HG21 HD22 ' B' ' 33' ' ' LEU . 48.7 t -104.71 130.14 56.12 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.657 0 N-CA-C 106.791 -1.559 . . . . 0.0 106.791 176.316 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -101.37 161.63 13.49 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.126 0.488 . . . . 0.0 111.575 -177.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -50.4 -43.78 54.75 Favored 'General case' 0 C--O 1.219 -0.506 0 CA-C-N 115.484 -0.78 . . . . 0.0 108.937 -178.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -61.85 -40.07 94.05 Favored 'General case' 0 C--O 1.244 0.815 0 C-N-CA 119.708 -0.797 . . . . 0.0 110.684 178.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.472 ' O ' HG22 ' B' ' 76' ' ' VAL . 74.3 mt-10 -64.65 -42.42 95.43 Favored 'General case' 0 C--O 1.242 0.684 0 CA-C-O 122.181 0.991 . . . . 0.0 109.843 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -63.09 -41.39 99.38 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-N 114.677 -1.147 . . . . 0.0 110.288 178.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.62 HG13 ' HB1' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -59.95 -47.94 89.73 Favored 'Isoleucine or valine' 0 C--O 1.248 1.013 0 CA-C-N 113.645 -1.616 . . . . 0.0 109.886 -179.07 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.472 HG22 ' O ' ' B' ' 73' ' ' GLU . 15.8 m -67.34 -34.79 71.15 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.556 0 C-N-CA 117.836 -1.546 . . . . 0.0 109.357 178.647 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.576 ' O ' HD13 ' B' ' 81' ' ' LEU . 34.5 tp -56.6 -51.89 66.91 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 118.732 -1.187 . . . . 0.0 111.969 178.232 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 35.5 m -68.68 -36.37 74.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 C-N-CA 118.33 -1.348 . . . . 0.0 111.773 -178.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.67 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . . . -68.34 -47.92 66.21 Favored 'General case' 0 C--O 1.249 1.035 0 C-N-CA 119.137 -1.025 . . . . 0.0 111.933 -179.282 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.14 -40.11 96.63 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 179.457 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.576 HD13 ' O ' ' B' ' 77' ' ' LEU . 9.1 mp -64.33 -35.06 79.65 Favored 'General case' 0 N--CA 1.445 -0.708 0 C-N-CA 119.106 -1.038 . . . . 0.0 109.709 176.639 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 36.3 m -62.92 -49.88 73.05 Favored 'General case' 0 C--O 1.246 0.877 0 C-N-CA 119.849 -0.74 . . . . 0.0 111.699 179.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.442 ' O ' ' OD1' ' B' ' 87' ' ' ASN . 14.5 p -63.06 -39.27 84.57 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 119.029 -1.069 . . . . 0.0 110.321 178.688 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.48 -30.58 71.38 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-O 121.026 0.441 . . . . 0.0 110.049 178.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 5.5 t -67.23 -54.2 23.14 Favored 'General case' 0 CA--C 1.509 -0.623 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.341 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 35.0 t30 -56.09 -41.29 74.96 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 118.747 -1.181 . . . . 0.0 108.824 179.01 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . 0.714 ' O ' ' HB2' ' B' ' 91' ' ' GLU . 25.2 m120 -59.87 -41.79 92.3 Favored 'General case' 0 C--O 1.202 -1.443 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.19 178.337 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.559 ' O ' ' O ' ' B' ' 91' ' ' GLU . 67.9 t80 -64.24 -41.63 96.88 Favored 'General case' 0 C--N 1.302 -1.483 0 C-N-CA 118.183 -1.407 . . . . 0.0 111.135 179.35 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -64.95 -59.85 3.7 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 119.92 -0.712 . . . . 0.0 112.202 -178.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.617 ' CD2' ' OH ' ' A' ' 26' ' ' TYR . 21.1 t-105 -68.09 -42.57 80.16 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 119.935 -0.706 . . . . 0.0 111.816 179.169 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.714 ' HB2' ' O ' ' B' ' 87' ' ' ASN . 60.7 mm-40 -98.6 146.28 25.98 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 114.696 -1.138 . . . . 0.0 111.815 -179.132 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 40.9 p-10 -138.81 -178.09 5.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.512 179.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 33.5 m . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 118.028 -0.987 . . . . 0.0 110.599 179.897 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 201' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.55 ' O ' ' OE1' ' B' ' 40' ' ' GLU . . . . . . . . 0 CA--C 1.528 0.88 0 N-CA-C 110.826 -0.909 . . . . 0.0 110.826 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.4 p -66.66 -11.85 55.7 Favored 'General case' 0 C--N 1.317 -0.818 0 O-C-N 122.609 -0.348 . . . . 0.0 110.565 179.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -59.49 -38.83 81.92 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 113.585 0.957 . . . . 0.0 113.585 -177.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.598 HD23 ' O ' ' A' ' 4' ' ' LEU . 5.8 tt -64.05 -42.33 97.08 Favored 'General case' 0 C--O 1.244 0.774 0 C-N-CA 118.414 -1.314 . . . . 0.0 108.519 -179.69 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.454 ' C ' ' OE1' ' A' ' 5' ' ' GLU . 6.6 tm-20 -64.4 -40.42 95.75 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 114.643 -1.162 . . . . 0.0 109.57 179.575 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 44.9 m -60.07 -40.31 89.08 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.459 179.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.1 -44.43 92.32 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.157 179.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 97.7 mtp -58.53 -41.14 84.84 Favored 'General case' 0 C--O 1.25 1.08 0 CA-C-O 121.846 0.831 . . . . 0.0 109.204 178.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -65.2 -35.29 80.6 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.135 -0.939 . . . . 0.0 110.385 178.007 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 47.6 m -64.17 -43.26 95.68 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 119.847 -0.741 . . . . 0.0 110.029 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 40.4 mt -62.43 -42.86 99.76 Favored 'General case' 0 C--O 1.239 0.534 0 C-N-CA 119.378 -0.929 . . . . 0.0 109.092 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.2 -46.53 96.25 Favored 'Isoleucine or valine' 0 C--O 1.232 0.141 0 C-N-CA 119.873 -0.731 . . . . 0.0 111.54 178.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -61.92 -41.47 97.98 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 -178.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.1 m -73.72 -40.79 54.5 Favored 'Isoleucine or valine' 0 C--O 1.254 1.305 0 C-N-CA 119.104 -1.038 . . . . 0.0 111.399 -179.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -60.36 -47.23 86.96 Favored 'General case' 0 CA--C 1.508 -0.664 0 C-N-CA 119.458 -0.897 . . . . 0.0 109.51 177.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -64.79 -34.94 79.53 Favored 'General case' 0 CA--C 1.503 -0.854 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.218 178.105 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.54 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . -58.05 -52.36 65.86 Favored 'General case' 0 N--CA 1.436 -1.133 0 C-N-CA 118.749 -1.18 . . . . 0.0 110.039 -178.571 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.594 ' HA ' ' HZ1' ' A' ' 21' ' ' LYS . 17.0 m-70 -78.81 -49.03 13.66 Favored 'General case' 0 C--N 1.319 -0.748 0 C-N-CA 118.777 -1.169 . . . . 0.0 113.886 -179.681 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 46.9 t -58.31 -43.14 88.03 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 119.615 -0.834 . . . . 0.0 110.629 -179.111 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -75.35 -44.2 22.87 Favored Glycine 0 CA--C 1.526 0.723 0 C-N-CA 120.778 -0.725 . . . . 0.0 111.757 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.594 ' HZ1' ' HA ' ' A' ' 18' ' ' HIS . 7.2 ttpm? -59.21 -41.51 88.77 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 -178.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.604 ' OE2' ' NZ ' ' A' ' 31' ' ' LYS . 85.1 tt0 -124.32 141.56 51.97 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -177.72 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.48 -142.83 48.49 Favored Glycine 0 C--N 1.335 0.496 0 CA-C-N 114.936 -1.029 . . . . 0.0 112.548 178.145 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -70.3 146.02 50.86 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 115.12 -0.54 . . . . 0.0 109.841 179.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.6 mtmm -86.64 149.21 25.07 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 -179.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.534 ' OH ' ' CE3' ' B' ' 90' ' ' TRP . 89.2 m-85 61.22 13.39 4.78 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.4 tptt -138.25 131.34 30.04 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 106.327 -1.731 . . . . 0.0 106.327 175.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.5 tp -108.82 131.36 55.06 Favored 'General case' 0 C--O 1.213 -0.86 0 C-N-CA 120.312 -0.555 . . . . 0.0 110.327 -176.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.8 m -102.6 161.49 13.69 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.4 ttpm? -53.12 -46.88 68.94 Favored 'General case' 0 C--O 1.244 0.779 0 CA-C-O 121.571 0.701 . . . . 0.0 111.823 -177.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.604 ' NZ ' ' OE2' ' A' ' 22' ' ' GLU . 15.6 pttp -59.51 -47.18 86.52 Favored 'General case' 0 N--CA 1.437 -1.086 0 CA-C-N 115.318 -0.855 . . . . 0.0 109.961 -178.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.585 ' N ' ' HG3' ' A' ' 31' ' ' LYS . 95.5 mt-10 -63.52 -47.99 79.4 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 115.61 -0.723 . . . . 0.0 112.302 -178.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 pp -61.9 -34.18 75.57 Favored 'General case' 0 CA--C 1.499 -0.983 0 C-N-CA 118.472 -1.291 . . . . 0.0 109.855 -179.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.656 ' NZ ' HE22 ' A' ' 38' ' ' GLN . 1.2 tptm -54.43 -37.09 64.73 Favored 'General case' 0 N--CA 1.437 -1.09 0 C-N-CA 117.567 -1.653 . . . . 0.0 107.986 177.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.702 ' O ' HG23 ' A' ' 39' ' ' THR . 96.8 mt-10 -75.08 -41.74 58.23 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 179.111 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.727 HD23 ' O ' ' A' ' 36' ' ' LEU . 1.6 tt -64.21 -45.65 87.32 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 120.057 -0.657 . . . . 0.0 111.27 -177.386 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.575 ' O ' ' O ' ' A' ' 41' ' ' LEU . 1.1 mm? -64.7 -43.35 93.77 Favored 'General case' 0 CA--C 1.519 -0.213 0 C-N-CA 119.03 -1.068 . . . . 0.0 111.31 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.656 HE22 ' NZ ' ' A' ' 34' ' ' LYS . 95.6 mt-30 -63.22 -39.03 93.47 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.212 -0.595 . . . . 0.0 111.376 179.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.702 HG23 ' O ' ' A' ' 35' ' ' GLU . 76.6 p -72.63 -33.05 66.38 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.45 -0.5 . . . . 0.0 111.857 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.541 ' OE1' ' O ' ' B' ' 1' ' ' GLY . 76.3 mm-40 -100.23 -59.04 1.78 Allowed 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 -179.178 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.575 ' O ' ' O ' ' A' ' 37' ' ' LEU . 56.4 mt -100.82 141.45 33.68 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.346 0.593 . . . . 0.0 111.763 -178.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.2 m -112.24 -63.04 1.48 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.508 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.62 -38.83 92.4 Favored Glycine 0 CA--C 1.531 1.057 0 CA-C-N 115.777 -0.647 . . . . 0.0 114.169 -177.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.484 ' CZ ' ' SD ' ' A' ' 201' ' ' HCS . 89.3 m-85 -61.11 -52.11 66.27 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 118.082 0.941 . . . . 0.0 112.237 -178.108 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -74.08 -40.87 62.46 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 120.274 -0.57 . . . . 0.0 110.958 178.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -61.15 -33.75 73.9 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.615 -0.72 . . . . 0.0 112.12 -179.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.68 -34.3 71.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 112.014 -177.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.526 ' C ' ' H ' ' A' ' 50' ' ' ASP . 94.4 mm-40 -61.43 -34.4 75.33 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 120.153 -0.619 . . . . 0.0 109.874 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 85.4 tttt 65.27 -28.72 0.11 Allowed 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.819 179.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.526 ' H ' ' C ' ' A' ' 48' ' ' GLN . 87.8 m-20 -70.64 142.84 51.59 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.524 -0.47 . . . . 0.0 111.171 -179.746 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.7 m -72.57 -29.61 31.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.508 179.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -87.74 6.49 34.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.439 179.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.452 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -57.51 -39.96 77.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.768 -178.712 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.6 HG13 ' N ' ' A' ' 55' ' ' ASP . 8.1 p -60.45 -43.03 93.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 C-N-CA 119.807 -0.757 . . . . 0.0 110.091 178.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.6 ' N ' HG13 ' A' ' 54' ' ' VAL . 85.8 m-20 -61.15 -43.24 99.18 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.808 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -62.4 -40.04 95.19 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.967 179.291 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 53' ' ' ALA . 72.7 t -67.05 -47.9 80.74 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.215 0 N-CA-C 113.45 0.907 . . . . 0.0 113.45 -178.301 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.486 ' C ' ' SD ' ' A' ' 58' ' ' MET . 1.0 OUTLIER -70.89 -36.49 72.78 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 114.361 1.245 . . . . 0.0 114.361 -178.198 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 29.1 mmtm -60.51 -40.27 90.78 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 119.328 -0.949 . . . . 0.0 111.775 -179.371 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -64.35 -41.3 96.83 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.051 -0.659 . . . . 0.0 110.419 179.254 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.484 HD11 HD22 ' A' ' 77' ' ' LEU . 84.4 mt -68.83 -33.45 73.85 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.06 -0.973 . . . . 0.0 112.859 -179.576 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 51.0 t0 -72.72 84.67 1.19 Allowed 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 118.809 -1.156 . . . . 0.0 110.816 -177.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -63.14 -46.98 84.69 Favored 'General case' 0 CA--C 1.506 -0.749 0 CA-C-O 122.449 1.118 . . . . 0.0 111.085 177.233 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 31.9 m120 -59.03 -35.43 73.28 Favored 'General case' 0 C--N 1.3 -1.564 0 CA-C-N 112.842 -1.981 . . . . 0.0 111.321 -179.08 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 79.58 20.06 69.7 Favored Glycine 0 CA--C 1.519 0.335 0 N-CA-C 108.376 -1.89 . . . . 0.0 108.376 -177.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.513 ' O ' ' OE1' ' A' ' 68' ' ' GLU . 22.2 p-10 -86.64 1.8 50.61 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 112.675 0.621 . . . . 0.0 112.675 -178.329 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 85.06 -1.1 89.0 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.8 -0.92 . . . . 0.0 110.8 178.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.513 ' OE1' ' O ' ' A' ' 66' ' ' ASP . 53.4 mp0 -121.54 156.11 33.56 Favored 'General case' 0 C--O 1.239 0.531 0 CA-C-O 121.864 0.84 . . . . 0.0 111.754 179.48 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.0 t -107.08 132.03 55.54 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.759 0 N-CA-C 106.331 -1.729 . . . . 0.0 106.331 176.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.54 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 51.3 t0 -99.61 160.17 14.49 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.223 0.535 . . . . 0.0 111.621 -177.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.54 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 1.0 OUTLIER -50.15 -43.93 52.32 Favored 'General case' 0 C--O 1.217 -0.654 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.331 -178.427 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.413 ' HG2' HG21 ' B' ' 83' ' ' VAL . 94.4 mt-30 -61.62 -40.34 94.48 Favored 'General case' 0 C--O 1.247 0.932 0 C-N-CA 119.535 -0.866 . . . . 0.0 110.645 178.713 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.483 ' OE1' ' O ' ' A' ' 61' ' ' LEU . 85.1 mt-10 -64.71 -42.23 95.43 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-O 122.212 1.006 . . . . 0.0 109.925 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -63.64 -40.83 97.85 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-N 114.721 -1.127 . . . . 0.0 109.952 178.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.596 HG13 ' HB1' ' B' ' 79' ' ' ALA . 0.5 OUTLIER -60.71 -47.8 91.5 Favored 'Isoleucine or valine' 0 C--O 1.246 0.881 0 CA-C-N 113.872 -1.513 . . . . 0.0 109.842 -178.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.466 HG22 ' O ' ' A' ' 73' ' ' GLU . 15.0 m -67.65 -34.1 65.93 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.506 0 C-N-CA 117.786 -1.565 . . . . 0.0 109.177 178.547 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.484 HD22 HD11 ' A' ' 61' ' ' LEU . 53.1 tp -56.86 -52.29 65.71 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 119.013 -1.075 . . . . 0.0 112.319 178.371 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 35.0 m -70.18 -35.48 63.54 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.29 0 C-N-CA 118.735 -1.186 . . . . 0.0 111.761 -178.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.665 ' HB2' ' HB2' ' B' ' 79' ' ' ALA . . . -68.71 -47.57 66.03 Favored 'General case' 0 C--O 1.247 0.969 0 C-N-CA 119.073 -1.051 . . . . 0.0 111.692 -179.718 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.25 -40.35 97.18 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 179.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.8 mp -65.85 -33.88 76.87 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 119.277 -0.969 . . . . 0.0 109.818 176.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 40.2 m -62.88 -50.63 70.13 Favored 'General case' 0 C--O 1.245 0.827 0 C-N-CA 119.744 -0.782 . . . . 0.0 111.193 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.413 HG21 ' HG2' ' B' ' 72' ' ' GLN . 13.2 p -64.33 -38.4 82.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 C-N-CA 119.523 -0.871 . . . . 0.0 110.759 178.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.48 -31.46 72.55 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-O 121.193 0.521 . . . . 0.0 109.841 178.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 36.7 t -68.67 -55.11 12.51 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.912 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -56.56 -41.89 77.66 Favored 'General case' 0 C--O 1.239 0.502 0 C-N-CA 118.607 -1.237 . . . . 0.0 109.016 179.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -60.05 -37.9 81.21 Favored 'General case' 0 C--O 1.219 -0.523 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 178.355 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.523 ' O ' ' O ' ' A' ' 91' ' ' GLU . 67.4 t80 -62.36 -45.53 92.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.933 -179.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -66.43 -54.83 19.68 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 120.274 -0.571 . . . . 0.0 112.228 -179.186 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.488 ' CD1' ' C ' ' A' ' 90' ' ' TRP . 23.6 t-105 -64.6 -40.86 96.26 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.279 0.562 . . . . 0.0 112.49 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.57 ' OE1' ' N ' ' A' ' 92' ' ' ASN . 1.4 tm-20 -98.62 144.26 28.11 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.568 -177.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.57 ' N ' ' OE1' ' A' ' 91' ' ' GLU . 86.3 m-20 -55.28 -34.32 64.0 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.917 -0.313 . . . . 0.0 111.025 -179.649 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 95.5 p . . . . . 0 C--O 1.221 -0.417 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.488 179.979 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . 0.541 ' O ' ' OE1' ' A' ' 40' ' ' GLU . . . . . . . . 0 CA--C 1.526 0.768 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 81.8 p -66.81 -11.77 56.46 Favored 'General case' 0 C--N 1.319 -0.745 0 O-C-N 122.509 -0.406 . . . . 0.0 110.521 179.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -59.67 -38.73 82.31 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 -177.227 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.588 HD23 ' O ' ' B' ' 4' ' ' LEU . 5.7 tt -63.95 -42.45 97.31 Favored 'General case' 0 C--O 1.243 0.749 0 C-N-CA 118.493 -1.283 . . . . 0.0 108.533 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.455 ' OE1' ' C ' ' B' ' 5' ' ' GLU . 6.6 tm-20 -64.41 -40.36 95.62 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 114.596 -1.184 . . . . 0.0 109.602 179.584 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 44.9 m -60.15 -40.17 88.9 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.494 178.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.14 -44.43 92.16 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.123 179.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 97.7 mtp -58.63 -41.18 85.38 Favored 'General case' 0 C--O 1.25 1.092 0 CA-C-O 121.844 0.83 . . . . 0.0 109.18 178.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -65.12 -36.17 83.44 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.285 178.086 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 43.7 m -63.01 -43.67 98.13 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 119.944 -0.702 . . . . 0.0 110.23 179.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 46.4 mt -62.49 -42.8 99.74 Favored 'General case' 0 C--O 1.238 0.493 0 C-N-CA 119.491 -0.883 . . . . 0.0 109.031 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.06 -46.55 96.22 Favored 'Isoleucine or valine' 0 C--O 1.231 0.127 0 C-N-CA 119.852 -0.739 . . . . 0.0 111.613 178.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -61.94 -41.48 98.01 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -178.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 17.1 m -73.74 -40.84 54.4 Favored 'Isoleucine or valine' 0 C--O 1.253 1.257 0 C-N-CA 119.037 -1.065 . . . . 0.0 111.391 -179.327 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -60.18 -47.37 86.25 Favored 'General case' 0 CA--C 1.508 -0.663 0 C-N-CA 119.445 -0.902 . . . . 0.0 109.553 177.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -64.69 -34.95 79.51 Favored 'General case' 0 CA--C 1.502 -0.868 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.331 178.128 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.543 ' O ' ' CB ' ' B' ' 21' ' ' LYS . . . -58.03 -52.32 66.01 Favored 'General case' 0 N--CA 1.436 -1.151 0 C-N-CA 118.697 -1.201 . . . . 0.0 110.138 -178.682 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.604 ' HA ' ' HZ1' ' B' ' 21' ' ' LYS . 16.7 m-70 -78.8 -49.14 13.48 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 118.791 -1.163 . . . . 0.0 113.78 -179.684 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 46.9 t -58.25 -43.14 87.72 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 119.55 -0.86 . . . . 0.0 110.725 -179.125 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -75.38 -44.1 22.99 Favored Glycine 0 CA--C 1.527 0.824 0 C-N-CA 120.742 -0.742 . . . . 0.0 111.784 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.604 ' HZ1' ' HA ' ' B' ' 18' ' ' HIS . 7.2 ttpm? -59.3 -41.43 88.99 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 -178.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.604 ' OE2' ' NZ ' ' B' ' 31' ' ' LYS . 85.1 tt0 -124.31 141.67 51.89 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 113.172 0.804 . . . . 0.0 113.172 -177.798 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.4 -142.84 48.51 Favored Glycine 0 N--CA 1.464 0.509 0 CA-C-N 114.881 -1.054 . . . . 0.0 112.53 178.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -70.27 145.86 51.01 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 115.119 -0.54 . . . . 0.0 109.868 179.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 27.6 mtmm -86.45 149.27 25.1 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 -179.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.441 ' OH ' ' CE3' ' A' ' 90' ' ' TRP . 88.9 m-85 61.13 13.41 4.7 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.222 0.452 . . . . 0.0 112.222 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 30.0 tptt -138.21 131.61 30.56 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 106.345 -1.724 . . . . 0.0 106.345 175.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 14.4 tp -108.99 131.26 55.23 Favored 'General case' 0 C--O 1.213 -0.851 0 C-N-CA 120.327 -0.549 . . . . 0.0 110.439 -176.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 71.2 m -102.65 161.47 13.71 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 5.4 ttpm? -53.03 -46.98 68.68 Favored 'General case' 0 C--O 1.245 0.824 0 CA-C-O 121.579 0.704 . . . . 0.0 111.765 -177.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.604 ' NZ ' ' OE2' ' B' ' 22' ' ' GLU . 15.6 pttp -59.52 -47.15 86.64 Favored 'General case' 0 N--CA 1.438 -1.057 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.898 -178.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.584 ' N ' ' HG3' ' B' ' 31' ' ' LYS . 95.5 mt-10 -63.51 -47.96 79.54 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.641 -0.708 . . . . 0.0 112.333 -178.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 pp -61.9 -34.16 75.54 Favored 'General case' 0 CA--C 1.498 -1.033 0 C-N-CA 118.523 -1.271 . . . . 0.0 109.931 -179.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.68 ' NZ ' HE22 ' B' ' 38' ' ' GLN . 1.2 tptm -54.44 -37.14 64.81 Favored 'General case' 0 N--CA 1.437 -1.119 0 C-N-CA 117.65 -1.62 . . . . 0.0 107.938 177.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.705 ' O ' HG23 ' B' ' 39' ' ' THR . 96.9 mt-10 -75.08 -41.75 58.17 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 179.135 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.731 HD23 ' O ' ' B' ' 36' ' ' LEU . 1.7 tt -64.26 -45.59 87.42 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 120.018 -0.673 . . . . 0.0 111.212 -177.356 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.572 ' O ' ' O ' ' B' ' 41' ' ' LEU . 1.1 mm? -64.68 -43.47 93.44 Favored 'General case' 0 N--CA 1.462 0.166 0 C-N-CA 118.978 -1.089 . . . . 0.0 111.297 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.68 HE22 ' NZ ' ' B' ' 34' ' ' LYS . 95.5 mt-30 -63.1 -39.05 93.56 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.144 -0.623 . . . . 0.0 111.491 179.741 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.705 HG23 ' O ' ' B' ' 35' ' ' GLU . 74.5 p -72.57 -33.12 66.54 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.365 -0.534 . . . . 0.0 111.916 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.55 ' OE1' ' O ' ' A' ' 1' ' ' GLY . 76.3 mm-40 -100.17 -58.94 1.8 Allowed 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 -179.251 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.572 ' O ' ' O ' ' B' ' 37' ' ' LEU . 56.6 mt -100.89 141.42 33.8 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 121.337 0.589 . . . . 0.0 111.774 -178.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.2 m -112.25 -63.12 1.47 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.514 179.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.56 -38.88 92.34 Favored Glycine 0 CA--C 1.53 1.005 0 CA-C-N 115.754 -0.657 . . . . 0.0 114.191 -178.021 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.484 ' CZ ' ' SD ' ' B' ' 201' ' ' HCS . 89.1 m-85 -61.09 -52.05 66.54 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 118.099 0.95 . . . . 0.0 112.269 -178.116 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -74.13 -40.74 62.44 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 120.182 -0.607 . . . . 0.0 110.995 178.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -61.21 -33.82 74.09 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.622 -0.717 . . . . 0.0 112.01 -179.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.6 -34.44 71.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.967 -177.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.537 ' C ' ' H ' ' B' ' 50' ' ' ASP . 94.4 mm-40 -61.42 -34.43 75.37 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.191 -0.604 . . . . 0.0 109.782 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 85.4 tttt 65.28 -28.8 0.11 Allowed 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.87 179.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . 0.537 ' H ' ' C ' ' B' ' 48' ' ' GLN . 87.8 m-20 -70.56 142.82 51.74 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.422 -0.511 . . . . 0.0 111.26 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 4.7 m -72.55 -29.66 31.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.456 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -87.69 6.54 34.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.414 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.447 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -57.62 -39.94 78.05 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.72 -178.679 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.604 HG13 ' N ' ' B' ' 55' ' ' ASP . 8.1 p -60.47 -43.03 93.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 C-N-CA 119.867 -0.733 . . . . 0.0 110.071 179.001 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.604 ' N ' HG13 ' B' ' 54' ' ' VAL . 85.7 m-20 -61.08 -43.33 99.05 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.551 -0.749 . . . . 0.0 109.765 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -62.51 -39.83 94.79 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.964 179.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.447 HG23 ' O ' ' B' ' 53' ' ' ALA . 72.7 t -67.13 -47.84 80.57 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.27 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -178.334 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.485 ' C ' ' SD ' ' B' ' 58' ' ' MET . 1.0 OUTLIER -70.95 -36.39 72.56 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 114.364 1.246 . . . . 0.0 114.364 -178.229 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 29.2 mmtm -60.59 -40.27 91.15 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 119.372 -0.931 . . . . 0.0 111.778 -179.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -64.32 -41.35 96.87 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.041 -0.663 . . . . 0.0 110.499 179.17 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.504 HD11 HD22 ' B' ' 77' ' ' LEU . 84.4 mt -68.73 -33.46 73.96 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.095 -0.957 . . . . 0.0 112.927 -179.701 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 51.0 t0 -72.74 84.65 1.19 Allowed 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 118.783 -1.167 . . . . 0.0 110.86 -177.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -63.08 -47.02 84.66 Favored 'General case' 0 CA--C 1.505 -0.759 0 CA-C-O 122.491 1.139 . . . . 0.0 111.127 177.214 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 32.0 m120 -58.93 -35.5 73.21 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-N 112.813 -1.994 . . . . 0.0 111.354 -179.173 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 79.57 20.04 69.76 Favored Glycine 0 CA--C 1.519 0.34 0 N-CA-C 108.404 -1.878 . . . . 0.0 108.404 -177.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.522 ' O ' ' OE1' ' B' ' 68' ' ' GLU . 22.2 p-10 -86.52 1.76 50.42 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -178.399 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 85.15 -1.31 88.78 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.807 -0.917 . . . . 0.0 110.807 178.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.522 ' OE1' ' O ' ' B' ' 66' ' ' ASP . 53.4 mp0 -121.48 156.21 33.27 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-O 121.953 0.882 . . . . 0.0 111.726 179.465 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 35.7 t -107.06 131.98 55.64 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.753 0 N-CA-C 106.412 -1.699 . . . . 0.0 106.412 176.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.547 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 50.0 t0 -99.05 160.08 14.51 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.077 0.465 . . . . 0.0 111.668 -177.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.547 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 1.0 OUTLIER -50.32 -43.93 54.05 Favored 'General case' 0 C--O 1.217 -0.651 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.233 -178.775 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.413 ' HG2' HG21 ' A' ' 83' ' ' VAL . 94.4 mt-30 -61.57 -40.5 94.95 Favored 'General case' 0 C--O 1.246 0.907 0 C-N-CA 119.617 -0.833 . . . . 0.0 110.599 178.74 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.484 ' OE1' ' O ' ' B' ' 61' ' ' LEU . 85.2 mt-10 -64.67 -42.2 95.54 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-O 122.176 0.989 . . . . 0.0 109.9 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -63.69 -40.6 97.21 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 114.72 -1.127 . . . . 0.0 110.081 178.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.609 HG13 ' HB1' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -60.86 -47.82 91.64 Favored 'Isoleucine or valine' 0 C--O 1.246 0.915 0 CA-C-N 113.792 -1.549 . . . . 0.0 109.813 -179.036 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.463 HG22 ' O ' ' B' ' 73' ' ' GLU . 14.9 m -67.59 -34.1 66.13 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.529 0 C-N-CA 117.805 -1.558 . . . . 0.0 109.218 178.522 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.504 HD22 HD11 ' B' ' 61' ' ' LEU . 53.0 tp -56.89 -52.19 66.14 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 119.064 -1.054 . . . . 0.0 112.341 178.406 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 35.0 m -70.35 -35.34 62.06 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.262 0 C-N-CA 118.735 -1.186 . . . . 0.0 111.686 -178.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.665 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . . . -68.9 -47.45 65.8 Favored 'General case' 0 C--O 1.247 0.933 0 C-N-CA 119.005 -1.078 . . . . 0.0 111.641 -179.659 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.38 -40.24 96.69 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 5.7 mp -65.76 -33.98 77.11 Favored 'General case' 0 C--O 1.22 -0.458 0 C-N-CA 119.265 -0.974 . . . . 0.0 109.876 176.522 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 39.5 m -62.79 -50.66 70.15 Favored 'General case' 0 C--O 1.244 0.785 0 C-N-CA 119.763 -0.775 . . . . 0.0 111.145 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.413 HG21 ' HG2' ' A' ' 72' ' ' GLN . 13.3 p -64.35 -38.5 82.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.575 0 C-N-CA 119.526 -0.87 . . . . 0.0 110.714 178.729 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.27 -31.48 72.65 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 121.229 0.537 . . . . 0.0 109.96 178.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 36.8 t -68.73 -55.19 12.15 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.887 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -56.5 -41.88 77.43 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 118.646 -1.221 . . . . 0.0 109.08 179.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -60.03 -37.98 81.35 Favored 'General case' 0 C--O 1.219 -0.521 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 178.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.525 ' O ' ' O ' ' B' ' 91' ' ' GLU . 67.4 t80 -62.31 -45.65 92.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.869 -179.699 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -66.34 -54.92 18.94 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 120.298 -0.561 . . . . 0.0 112.167 -179.125 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.534 ' CE3' ' OH ' ' A' ' 26' ' ' TYR . 23.5 t-105 -64.53 -40.99 96.63 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.318 0.58 . . . . 0.0 112.501 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.589 ' OE1' ' N ' ' B' ' 92' ' ' ASN . 1.4 tm-20 -98.51 144.27 28.03 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.553 -177.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . 0.589 ' N ' ' OE1' ' B' ' 91' ' ' GLU . 86.4 m-20 -55.27 -34.44 64.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.703 0.287 . . . . 0.0 110.962 -179.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 95.6 p . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.08 -0.962 . . . . 0.0 110.439 179.977 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' HCS . . . . . 0.484 ' SD ' ' CZ ' ' A' ' 44' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 201' ' ' HCS . . . . . 0.484 ' SD ' ' CZ ' ' B' ' 44' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.566 ' O ' ' OE1' ' B' ' 40' ' ' GLU . . . . . . . . 0 CA--C 1.524 0.621 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.0 p -67.88 -18.62 64.86 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.699 -0.25 . . . . 0.0 111.457 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -59.82 -40.88 89.94 Favored 'General case' 0 C--O 1.237 0.438 0 N-CA-C 113.484 0.92 . . . . 0.0 113.484 -176.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.646 HD23 ' O ' ' A' ' 4' ' ' LEU . 2.1 tt -63.42 -42.52 98.73 Favored 'General case' 0 C--O 1.24 0.569 0 C-N-CA 117.976 -1.49 . . . . 0.0 108.032 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.604 ' OE2' HD22 ' B' ' 41' ' ' LEU . 72.1 mm-40 -66.16 -36.85 84.19 Favored 'General case' 0 C--O 1.219 -0.513 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.92 177.499 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 44.4 m -59.0 -42.04 89.13 Favored 'General case' 0 C--O 1.24 0.557 0 C-N-CA 119.432 -0.907 . . . . 0.0 108.877 179.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.29 -46.08 85.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.312 179.189 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 99.4 mtp -59.68 -40.95 89.53 Favored 'General case' 0 C--O 1.245 0.868 0 CA-C-O 121.401 0.62 . . . . 0.0 110.322 179.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.83 -36.6 84.85 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.711 177.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 58.7 m -63.78 -42.23 97.79 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 119.448 -0.901 . . . . 0.0 110.026 178.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 38.2 mt -59.34 -43.14 92.8 Favored 'General case' 0 C--O 1.239 0.53 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 179.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 98.0 mt -61.79 -45.59 98.36 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.112 0 CA-C-N 114.873 -1.058 . . . . 0.0 111.84 178.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -61.33 -41.41 96.98 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -178.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.4 m -72.79 -38.98 58.87 Favored 'Isoleucine or valine' 0 C--O 1.255 1.378 0 C-N-CA 118.831 -1.148 . . . . 0.0 110.413 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.601 ' O ' ' HD2' ' A' ' 18' ' ' HIS . 88.8 t80 -60.76 -42.44 97.46 Favored 'General case' 0 C--N 1.348 0.539 0 C-N-CA 119.184 -1.007 . . . . 0.0 109.873 177.063 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -67.62 -33.89 75.89 Favored 'General case' 0 C--N 1.309 -1.179 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.185 178.024 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.57 ' O ' ' HB2' ' A' ' 21' ' ' LYS . . . -59.88 -50.77 72.46 Favored 'General case' 0 N--CA 1.437 -1.109 0 C-N-CA 118.834 -1.146 . . . . 0.0 111.056 -178.677 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.601 ' HD2' ' O ' ' A' ' 15' ' ' PHE . 0.5 OUTLIER -80.74 -49.21 11.45 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 117.177 -1.809 . . . . 0.0 113.7 179.909 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.563 ' H ' ' CD2' ' A' ' 18' ' ' HIS . 22.9 t -60.58 -41.17 94.11 Favored 'General case' 0 C--N 1.352 0.702 0 C-N-CA 118.454 -1.298 . . . . 0.0 109.473 -179.707 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -70.0 -43.92 63.28 Favored Glycine 0 C--N 1.343 0.948 0 CA-C-N 115.518 -0.764 . . . . 0.0 112.15 178.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.57 ' HB2' ' O ' ' A' ' 17' ' ' ALA . 5.8 ttpm? -59.04 -42.25 89.81 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 119.978 -0.689 . . . . 0.0 111.619 -179.581 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.432 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 97.1 mt-10 -129.46 151.77 49.73 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 112.824 0.676 . . . . 0.0 112.824 179.37 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.08 -148.98 31.7 Favored Glycine 0 CA--C 1.523 0.565 0 CA-C-N 115.707 -0.679 . . . . 0.0 112.305 177.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -70.9 139.91 50.88 Favored 'General case' 0 C--O 1.234 0.252 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 179.185 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.487 ' O ' ' OG ' ' A' ' 19' ' ' SER . 36.4 mtmt -60.96 -31.75 71.3 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.141 -178.447 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.612 ' OH ' ' CD2' ' B' ' 90' ' ' TRP . 98.2 m-85 -106.5 19.57 20.3 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 -177.46 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.8 tptt -138.47 138.12 37.8 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 119.105 -1.038 . . . . 0.0 108.814 178.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.506 HD11 ' ND1' ' A' ' 18' ' ' HIS . 18.4 tp -112.37 131.66 55.42 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.345 -0.542 . . . . 0.0 111.522 -177.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.4 t -103.21 159.98 15.06 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.744 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.1 ttpt -52.1 -44.12 64.27 Favored 'General case' 0 C--O 1.239 0.542 0 C-N-CA 120.227 -0.589 . . . . 0.0 111.122 -178.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.584 ' CG ' ' N ' ' A' ' 32' ' ' GLU . 56.4 pttt -58.89 -46.79 87.0 Favored 'General case' 0 N--CA 1.438 -1.04 0 C-N-CA 119.901 -0.72 . . . . 0.0 109.471 -178.749 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.584 ' N ' ' CG ' ' A' ' 31' ' ' LYS . 92.4 mt-10 -62.68 -50.17 72.21 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 119.826 -0.75 . . . . 0.0 112.0 -177.749 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.13 -37.08 76.37 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 116.806 -1.958 . . . . 0.0 109.11 178.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.735 ' NZ ' HE22 ' A' ' 38' ' ' GLN . 0.8 OUTLIER -53.56 -36.59 62.03 Favored 'General case' 0 N--CA 1.44 -0.948 0 C-N-CA 118.192 -1.403 . . . . 0.0 108.039 -179.531 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.891 ' O ' HG23 ' A' ' 39' ' ' THR . 97.0 mt-10 -74.1 -43.61 56.98 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 178.612 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.826 HD23 ' O ' ' A' ' 36' ' ' LEU . 5.4 tt -67.91 -48.0 67.2 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 118.728 -1.189 . . . . 0.0 112.425 -177.116 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.54 ' O ' ' O ' ' A' ' 41' ' ' LEU . 1.5 mm? -59.36 -42.32 91.31 Favored 'General case' 0 CA--C 1.518 -0.283 0 C-N-CA 118.264 -1.375 . . . . 0.0 109.998 -178.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.735 HE22 ' NZ ' ' A' ' 34' ' ' LYS . 95.1 mt-30 -64.62 -39.94 94.61 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.421 -0.512 . . . . 0.0 111.768 179.007 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.891 HG23 ' O ' ' A' ' 35' ' ' GLU . 59.3 p -71.04 -41.15 71.17 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -179.049 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.557 ' OE1' ' O ' ' B' ' 1' ' ' GLY . 81.2 mm-40 -91.44 -49.63 6.23 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 120.494 -0.482 . . . . 0.0 112.249 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.595 HD22 ' OE2' ' B' ' 5' ' ' GLU . 28.7 mt -103.71 141.69 35.63 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 121.184 0.516 . . . . 0.0 111.997 -178.325 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.1 m -113.66 -65.45 1.18 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.029 178.337 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.78 -38.29 91.8 Favored Glycine 0 CA--C 1.532 1.138 0 CA-C-N 115.537 -0.756 . . . . 0.0 114.136 -178.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -60.44 -53.34 58.76 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 118.113 0.956 . . . . 0.0 112.379 -177.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -74.08 -38.88 63.78 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 120.429 -0.508 . . . . 0.0 111.094 178.072 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -59.6 -30.2 68.51 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.14 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.13 -31.43 61.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.122 -177.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -95.84 115.76 27.91 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 119.561 -0.856 . . . . 0.0 109.067 178.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -63.22 -39.13 93.74 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 114.004 1.112 . . . . 0.0 114.004 -178.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -69.69 142.53 53.34 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.041 0.756 . . . . 0.0 113.041 -177.027 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.561 ' O ' HG12 ' A' ' 54' ' ' VAL . 4.8 m -72.23 -27.67 27.23 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.201 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 177.429 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -61.06 -23.55 65.54 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 114.06 -1.427 . . . . 0.0 109.146 178.072 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.408 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -51.91 -37.56 52.95 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.735 -177.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.561 HG12 ' O ' ' A' ' 51' ' ' VAL . 10.8 p -59.97 -43.26 92.01 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 C-N-CA 119.303 -0.959 . . . . 0.0 109.8 178.318 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.559 ' N ' HG13 ' A' ' 54' ' ' VAL . 91.3 m-20 -61.29 -42.37 98.54 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 120.134 -0.627 . . . . 0.0 109.344 179.123 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 41.6 mttp -60.76 -38.98 87.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.211 179.344 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 53' ' ' ALA . 78.1 t -66.4 -46.1 87.63 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.455 0 CA-C-N 115.932 -0.576 . . . . 0.0 112.515 -179.347 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -72.42 -34.95 68.21 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 114.996 1.48 . . . . 0.0 114.996 -178.421 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.9 mmtm -59.95 -39.65 86.32 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 119.636 -0.826 . . . . 0.0 112.953 -178.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -70.09 -35.33 74.1 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 119.335 -0.946 . . . . 0.0 109.854 179.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 63' ' ' GLU . 91.3 mt -67.42 -35.45 79.29 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-N 115.754 -0.657 . . . . 0.0 112.113 179.478 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.425 ' CG ' ' H ' ' A' ' 65' ' ' GLY . 45.1 t0 -71.32 73.85 0.71 Allowed 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 118.34 -1.344 . . . . 0.0 109.945 -179.084 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 61' ' ' LEU . 87.7 tt0 -63.54 -38.09 89.79 Favored 'General case' 0 CA--C 1.498 -1.053 0 CA-C-O 123.072 1.415 . . . . 0.0 107.35 176.539 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.485 ' OD1' ' OD2' ' A' ' 66' ' ' ASP . 16.7 t-20 -57.98 -39.64 78.69 Favored 'General case' 0 N--CA 1.429 -1.503 0 CA-C-N 111.607 -2.542 . . . . 0.0 111.331 178.713 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.425 ' H ' ' CG ' ' A' ' 62' ' ' ASP . . . 79.76 19.06 71.5 Favored Glycine 0 CA--C 1.53 0.987 0 C-N-CA 121.345 -0.455 . . . . 0.0 112.749 178.103 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.51 ' O ' ' OE1' ' A' ' 68' ' ' GLU . 54.8 p30 -89.15 2.12 54.63 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -179.61 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 87.52 -3.65 86.28 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 110.146 -1.182 . . . . 0.0 110.146 179.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.51 ' OE1' ' O ' ' A' ' 66' ' ' ASP . 53.3 mp0 -120.54 159.95 24.17 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.959 -0.62 . . . . 0.0 110.635 179.459 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.427 ' HA ' ' OE1' ' A' ' 73' ' ' GLU . 61.9 t -105.58 130.9 56.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 106.477 -1.675 . . . . 0.0 106.477 176.346 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.497 ' C ' ' OD1' ' A' ' 70' ' ' ASP . 17.2 p30 -101.45 170.66 8.06 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 119.279 -0.968 . . . . 0.0 110.246 -178.016 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -53.63 -44.45 69.53 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.962 -178.647 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -61.58 -39.98 93.12 Favored 'General case' 0 C--O 1.246 0.89 0 C-N-CA 120.054 -0.658 . . . . 0.0 111.204 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.475 ' O ' HG22 ' A' ' 76' ' ' VAL . 67.5 mt-10 -64.26 -42.84 96.28 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-O 122.06 0.933 . . . . 0.0 110.097 179.46 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -63.93 -40.64 96.92 Favored 'General case' 0 C--O 1.24 0.587 0 CA-C-O 122.34 1.067 . . . . 0.0 110.356 178.113 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.609 HG13 ' HB1' ' B' ' 79' ' ' ALA . 0.5 OUTLIER -59.65 -48.09 88.72 Favored 'Isoleucine or valine' 0 C--O 1.249 1.043 0 CA-C-N 113.82 -1.536 . . . . 0.0 109.537 -179.081 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.475 HG22 ' O ' ' A' ' 73' ' ' GLU . 15.4 m -68.04 -33.96 64.08 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 C-N-CA 117.967 -1.493 . . . . 0.0 109.38 178.408 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 45.0 tp -55.47 -52.91 62.07 Favored 'General case' 0 C--O 1.238 0.483 0 C-N-CA 118.902 -1.119 . . . . 0.0 112.021 178.195 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 34.6 m -69.83 -35.46 65.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 118.661 -1.216 . . . . 0.0 111.683 -178.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.671 ' HB2' ' HB2' ' B' ' 79' ' ' ALA . . . -67.75 -47.49 69.1 Favored 'General case' 0 C--O 1.248 1.003 0 C-N-CA 118.89 -1.124 . . . . 0.0 111.68 -179.511 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.91 -39.57 94.49 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 179.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.3 mp -64.85 -34.0 77.34 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 119.062 -1.055 . . . . 0.0 109.521 176.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 41.3 m -63.46 -49.82 72.16 Favored 'General case' 0 C--O 1.244 0.792 0 C-N-CA 120.01 -0.676 . . . . 0.0 111.503 179.277 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 14.5 p -63.31 -39.3 84.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 118.89 -1.124 . . . . 0.0 110.338 178.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.14 -31.4 72.58 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-O 121.117 0.485 . . . . 0.0 109.903 178.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 44.7 t -66.18 -54.57 23.69 Favored 'General case' 0 CA--C 1.51 -0.574 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.438 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -56.41 -41.02 75.65 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 118.729 -1.188 . . . . 0.0 108.782 179.106 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.683 ' O ' ' HB2' ' A' ' 91' ' ' GLU . 87.1 m-20 -59.05 -41.35 87.66 Favored 'General case' 0 C--O 1.202 -1.403 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.563 178.315 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.558 ' O ' ' O ' ' A' ' 91' ' ' GLU . 67.7 t80 -64.13 -41.08 97.36 Favored 'General case' 0 C--N 1.303 -1.429 0 C-N-CA 118.318 -1.353 . . . . 0.0 110.872 178.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -64.44 -60.55 3.02 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 120.005 -0.678 . . . . 0.0 112.294 -178.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.604 ' CD2' ' OH ' ' B' ' 26' ' ' TYR . 19.1 t-105 -68.63 -44.1 74.92 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 119.774 -0.77 . . . . 0.0 111.386 179.051 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.683 ' HB2' ' O ' ' A' ' 87' ' ' ASN . 59.1 mm-40 -98.43 144.29 27.95 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.697 -1.138 . . . . 0.0 111.506 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -56.87 -34.18 67.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.416 179.213 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 12.4 m . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 117.984 -1.007 . . . . 0.0 110.544 -179.998 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . 0.557 ' O ' ' OE1' ' A' ' 40' ' ' GLU . . . . . . . . 0 CA--C 1.525 0.684 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 84.1 p -67.89 -18.6 64.84 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.639 -0.28 . . . . 0.0 111.404 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -59.9 -40.79 89.96 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -176.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.643 HD23 ' O ' ' B' ' 4' ' ' LEU . 2.1 tt -63.48 -42.54 98.57 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 117.895 -1.522 . . . . 0.0 107.953 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.595 ' OE2' HD22 ' A' ' 41' ' ' LEU . 72.1 mm-40 -66.18 -36.88 84.26 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.838 177.558 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 46.2 m -58.95 -41.9 88.55 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 119.465 -0.894 . . . . 0.0 108.891 179.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.41 -46.06 84.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.304 179.145 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 99.4 mtp -59.81 -40.92 90.04 Favored 'General case' 0 C--O 1.246 0.903 0 CA-C-O 121.336 0.588 . . . . 0.0 110.263 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.66 -37.48 87.72 Favored 'General case' 0 CA--C 1.511 -0.557 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.619 177.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 57.5 m -62.91 -42.44 99.79 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 119.445 -0.902 . . . . 0.0 110.19 178.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 43.7 mt -59.36 -43.13 92.85 Favored 'General case' 0 C--O 1.24 0.554 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 179.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.9 mt -61.76 -45.54 98.47 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 CA-C-N 114.856 -1.065 . . . . 0.0 111.817 178.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -61.36 -41.38 96.98 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -178.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 15.5 m -72.78 -39.01 59.09 Favored 'Isoleucine or valine' 0 C--O 1.256 1.401 0 C-N-CA 118.774 -1.17 . . . . 0.0 110.344 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.607 ' O ' ' HD2' ' B' ' 18' ' ' HIS . 88.9 t80 -60.74 -42.55 97.57 Favored 'General case' 0 C--N 1.347 0.484 0 CA-C-O 122.199 0.999 . . . . 0.0 109.895 177.136 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -67.47 -33.92 76.1 Favored 'General case' 0 N--CA 1.436 -1.161 0 CA-C-N 115.351 -0.841 . . . . 0.0 109.225 177.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.565 ' O ' ' HB2' ' B' ' 21' ' ' LYS . . . -59.95 -50.7 72.74 Favored 'General case' 0 N--CA 1.436 -1.145 0 C-N-CA 118.831 -1.147 . . . . 0.0 111.041 -178.631 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.607 ' HD2' ' O ' ' B' ' 15' ' ' PHE . 0.5 OUTLIER -80.82 -49.18 11.41 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 117.15 -1.82 . . . . 0.0 113.62 179.919 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.574 ' H ' ' CD2' ' B' ' 18' ' ' HIS . 22.8 t -60.66 -41.1 94.34 Favored 'General case' 0 C--N 1.351 0.672 0 C-N-CA 118.472 -1.291 . . . . 0.0 109.482 -179.662 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.96 -44.03 63.13 Favored Glycine 0 C--N 1.342 0.889 0 CA-C-N 115.53 -0.759 . . . . 0.0 112.08 178.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.565 ' HB2' ' O ' ' B' ' 17' ' ' ALA . 5.8 ttpm? -58.99 -42.31 89.69 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.012 -0.675 . . . . 0.0 111.576 -179.542 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.443 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 97.1 mt-10 -129.52 151.82 49.73 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 179.355 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.02 -148.86 31.67 Favored Glycine 0 CA--C 1.523 0.537 0 CA-C-N 115.704 -0.68 . . . . 0.0 112.326 177.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -70.95 139.83 50.74 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.479 ' O ' ' OG ' ' B' ' 19' ' ' SER . 36.3 mtmt -60.97 -31.7 71.27 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.171 -178.448 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.604 ' OH ' ' CD2' ' A' ' 90' ' ' TRP . 98.2 m-85 -106.42 19.57 20.3 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 -177.536 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 12.9 tptt -138.48 138.26 37.92 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 119.089 -1.044 . . . . 0.0 108.799 178.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.491 HD11 ' ND1' ' B' ' 18' ' ' HIS . 18.3 tp -112.45 131.59 55.49 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.345 -0.542 . . . . 0.0 111.543 -178.021 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 48.4 t -103.24 160.08 14.98 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.655 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 21.1 ttpt -52.12 -44.23 64.36 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 120.168 -0.613 . . . . 0.0 111.123 -178.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.607 ' HG3' ' N ' ' B' ' 32' ' ' GLU . 56.4 pttt -58.89 -46.74 87.13 Favored 'General case' 0 N--CA 1.438 -1.052 0 C-N-CA 119.733 -0.787 . . . . 0.0 109.522 -178.739 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.607 ' N ' ' HG3' ' B' ' 31' ' ' LYS . 92.3 mt-10 -62.52 -50.27 72.05 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 119.776 -0.769 . . . . 0.0 112.0 -177.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.04 -37.14 76.28 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 116.824 -1.951 . . . . 0.0 109.121 178.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.713 ' NZ ' HE22 ' B' ' 38' ' ' GLN . 0.8 OUTLIER -53.63 -36.42 62.02 Favored 'General case' 0 N--CA 1.439 -1.016 0 C-N-CA 118.223 -1.391 . . . . 0.0 108.036 -179.406 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.898 ' O ' HG23 ' B' ' 39' ' ' THR . 97.1 mt-10 -74.32 -43.46 56.62 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 178.688 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.83 HD23 ' O ' ' B' ' 36' ' ' LEU . 5.4 tt -67.94 -47.96 67.21 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 118.842 -1.143 . . . . 0.0 112.422 -177.09 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.538 ' O ' ' O ' ' B' ' 41' ' ' LEU . 1.5 mm? -59.43 -42.22 91.38 Favored 'General case' 0 CA--C 1.517 -0.309 0 C-N-CA 118.258 -1.377 . . . . 0.0 110.03 -178.803 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.713 HE22 ' NZ ' ' B' ' 34' ' ' LYS . 95.1 mt-30 -64.72 -39.85 94.34 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.403 -0.519 . . . . 0.0 111.767 178.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.898 HG23 ' O ' ' B' ' 35' ' ' GLU . 61.0 p -71.17 -41.18 70.72 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 112.821 0.675 . . . . 0.0 112.821 -178.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.566 ' OE1' ' O ' ' A' ' 1' ' ' GLY . 81.2 mm-40 -91.32 -49.59 6.27 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.604 HD22 ' OE2' ' A' ' 5' ' ' GLU . 28.6 mt -103.82 141.55 35.92 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 121.179 0.514 . . . . 0.0 111.984 -178.223 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.1 m -113.55 -65.37 1.19 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.119 178.339 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.78 -38.34 91.9 Favored Glycine 0 CA--C 1.532 1.097 0 CA-C-N 115.545 -0.752 . . . . 0.0 114.051 -178.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -60.51 -53.33 58.86 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 118.148 0.974 . . . . 0.0 112.316 -177.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -74.15 -38.76 63.65 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.133 178.042 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 58.6 t0 -59.66 -30.22 68.6 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.118 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.14 -31.36 61.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.137 -177.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -95.94 115.68 27.8 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 119.528 -0.869 . . . . 0.0 109.073 178.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -63.1 -39.24 94.11 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 -178.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -69.63 142.54 53.45 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 113.04 0.756 . . . . 0.0 113.04 -177.018 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . 0.558 ' O ' HG12 ' B' ' 54' ' ' VAL . 4.8 m -72.21 -27.65 27.24 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.228 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 177.406 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -61.04 -23.61 65.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 114.056 -1.429 . . . . 0.0 109.074 178.151 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.423 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -51.85 -37.67 52.91 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.721 -177.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.558 HG12 ' O ' ' B' ' 51' ' ' VAL . 10.7 p -59.92 -43.28 91.87 Favored 'Isoleucine or valine' 0 C--O 1.239 0.508 0 C-N-CA 119.308 -0.957 . . . . 0.0 109.742 178.331 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.554 ' N ' HG13 ' B' ' 54' ' ' VAL . 91.6 m-20 -61.35 -42.34 98.53 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 120.147 -0.621 . . . . 0.0 109.397 179.208 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 41.7 mttp -60.79 -39.01 87.25 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.211 179.31 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.423 HG23 ' O ' ' B' ' 53' ' ' ALA . 78.8 t -66.26 -46.08 88.2 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.461 0 CA-C-N 115.903 -0.59 . . . . 0.0 112.542 -179.374 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -72.52 -34.97 67.96 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 115.014 1.487 . . . . 0.0 115.014 -178.379 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 28.9 mmtm -59.96 -39.64 86.29 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 119.701 -0.8 . . . . 0.0 112.844 -178.469 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -70.16 -35.22 73.85 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 119.264 -0.974 . . . . 0.0 109.825 179.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' B' ' 63' ' ' GLU . 91.0 mt -67.46 -35.45 79.21 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-N 115.837 -0.62 . . . . 0.0 112.139 179.458 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.416 ' CG ' ' H ' ' B' ' 65' ' ' GLY . 45.2 t0 -71.36 73.96 0.72 Allowed 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 118.344 -1.342 . . . . 0.0 109.841 -179.028 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' B' ' 61' ' ' LEU . 87.5 tt0 -63.63 -38.18 90.16 Favored 'General case' 0 CA--C 1.497 -1.083 0 CA-C-O 123.123 1.439 . . . . 0.0 107.309 176.566 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.483 ' OD1' ' CG ' ' B' ' 66' ' ' ASP . 16.8 t-20 -57.84 -39.67 78.25 Favored 'General case' 0 N--CA 1.429 -1.489 0 CA-C-N 111.573 -2.558 . . . . 0.0 111.364 178.664 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.416 ' H ' ' CG ' ' B' ' 62' ' ' ASP . . . 79.61 19.27 71.42 Favored Glycine 0 CA--C 1.53 0.998 0 CA-C-N 116.307 -0.406 . . . . 0.0 112.709 178.122 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.504 ' O ' ' OE1' ' B' ' 68' ' ' GLU . 54.9 p30 -89.21 2.23 54.54 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 87.53 -3.69 86.26 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.056 -1.218 . . . . 0.0 110.056 179.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.504 ' OE1' ' O ' ' B' ' 66' ' ' ASP . 53.3 mp0 -120.52 159.89 24.28 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.037 -0.582 . . . . 0.0 110.691 179.445 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.425 ' HA ' ' OE1' ' B' ' 73' ' ' GLU . 61.6 t -105.49 130.92 56.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 106.576 -1.639 . . . . 0.0 106.576 176.339 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.509 ' C ' ' OD1' ' B' ' 70' ' ' ASP . 17.4 p30 -101.47 170.52 8.15 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 119.322 -0.951 . . . . 0.0 110.442 -178.132 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -53.53 -44.52 69.24 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.901 -178.613 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -61.54 -39.96 92.96 Favored 'General case' 0 C--O 1.243 0.738 0 C-N-CA 119.965 -0.694 . . . . 0.0 111.306 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.469 ' O ' HG22 ' B' ' 76' ' ' VAL . 67.6 mt-10 -64.33 -42.89 96.05 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 122.026 0.917 . . . . 0.0 109.991 179.469 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -63.92 -40.59 96.84 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-O 122.383 1.087 . . . . 0.0 110.407 178.122 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.625 HG13 ' HB1' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -59.65 -48.02 88.97 Favored 'Isoleucine or valine' 0 C--O 1.249 1.04 0 CA-C-N 113.764 -1.562 . . . . 0.0 109.625 -179.168 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.469 HG22 ' O ' ' B' ' 73' ' ' GLU . 15.6 m -68.04 -34.02 64.45 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 C-N-CA 118.058 -1.457 . . . . 0.0 109.339 178.416 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 45.4 tp -55.42 -52.94 61.92 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 118.897 -1.121 . . . . 0.0 112.058 178.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 34.6 m -69.77 -35.48 65.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 C-N-CA 118.59 -1.244 . . . . 0.0 111.734 -178.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.671 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . . . -67.72 -47.59 68.92 Favored 'General case' 0 C--O 1.247 0.965 0 C-N-CA 118.927 -1.109 . . . . 0.0 111.647 -179.498 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.75 -39.6 94.66 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.227 179.312 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 5.1 mp -64.8 -34.25 77.9 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 119.092 -1.043 . . . . 0.0 109.459 176.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 42.0 m -63.36 -49.78 72.51 Favored 'General case' 0 C--O 1.244 0.778 0 C-N-CA 119.982 -0.687 . . . . 0.0 111.435 179.502 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 14.5 p -63.33 -39.25 84.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 118.845 -1.142 . . . . 0.0 110.386 178.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.17 -31.4 72.57 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-O 121.068 0.461 . . . . 0.0 109.876 178.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 44.0 t -66.18 -54.63 22.9 Favored 'General case' 0 CA--C 1.508 -0.637 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.457 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -56.39 -40.96 75.47 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 118.742 -1.183 . . . . 0.0 108.77 179.117 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . 0.679 ' O ' ' HB2' ' B' ' 91' ' ' GLU . 87.3 m-20 -59.14 -41.27 87.89 Favored 'General case' 0 C--O 1.203 -1.394 0 C-N-CA 120.244 -0.582 . . . . 0.0 109.589 178.377 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.541 ' O ' ' O ' ' B' ' 91' ' ' GLU . 67.9 t80 -64.28 -40.86 96.83 Favored 'General case' 0 C--N 1.304 -1.396 0 C-N-CA 118.315 -1.354 . . . . 0.0 110.934 178.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -64.62 -60.59 2.95 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 120.019 -0.672 . . . . 0.0 112.185 -178.337 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.612 ' CD2' ' OH ' ' A' ' 26' ' ' TYR . 19.3 t-105 -68.55 -44.14 75.16 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 119.847 -0.741 . . . . 0.0 111.362 179.096 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.679 ' HB2' ' O ' ' B' ' 87' ' ' ASN . 59.0 mm-40 -98.45 144.38 27.87 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.617 -1.174 . . . . 0.0 111.435 -179.627 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -56.88 -34.21 67.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.414 179.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 12.6 m . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 118.018 -0.991 . . . . 0.0 110.529 179.996 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 201' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.679 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.499 ' OG ' ' OE1' ' B' ' 40' ' ' GLU . 43.5 t -118.63 141.26 48.77 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.803 0.335 . . . . 0.0 111.017 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -63.29 -38.74 92.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 112.249 -179.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.667 HD23 ' O ' ' A' ' 4' ' ' LEU . 5.3 tt -64.13 -42.85 96.65 Favored 'General case' 0 C--O 1.241 0.607 0 C-N-CA 119.695 -0.802 . . . . 0.0 109.263 -179.265 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.456 ' C ' ' OE1' ' A' ' 5' ' ' GLU . 7.5 tm-20 -64.35 -40.04 95.08 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.362 179.472 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 46.1 m -60.25 -40.21 89.51 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 178.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.45 -44.07 95.55 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.133 179.49 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 97.7 mtp -58.96 -41.29 87.16 Favored 'General case' 0 C--O 1.247 0.958 0 CA-C-O 121.728 0.775 . . . . 0.0 109.43 178.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -64.91 -35.42 81.1 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.115 178.166 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 48.5 m -64.11 -43.76 94.34 Favored 'General case' 0 N--CA 1.446 -0.633 0 C-N-CA 119.872 -0.731 . . . . 0.0 110.154 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 40.1 mt -62.41 -43.34 99.04 Favored 'General case' 0 C--O 1.242 0.675 0 C-N-CA 119.417 -0.913 . . . . 0.0 109.297 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.503 HG23 ' ND2' ' B' ' 86' ' ' ASN . 98.9 mt -61.94 -46.73 95.86 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 C-N-CA 119.834 -0.746 . . . . 0.0 111.3 179.05 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -61.45 -41.86 97.86 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 -178.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.6 m -73.95 -41.8 53.05 Favored 'Isoleucine or valine' 0 C--O 1.257 1.448 0 C-N-CA 119.082 -1.047 . . . . 0.0 111.956 -179.138 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -60.47 -47.62 85.33 Favored 'General case' 0 CA--C 1.508 -0.648 0 C-N-CA 119.022 -1.071 . . . . 0.0 109.549 178.216 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -64.17 -35.14 79.8 Favored 'General case' 0 CA--C 1.501 -0.91 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.155 178.153 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.552 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . -57.29 -52.59 64.73 Favored 'General case' 0 N--CA 1.437 -1.119 0 C-N-CA 118.737 -1.185 . . . . 0.0 110.085 -178.571 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.535 ' HA ' ' HZ1' ' A' ' 21' ' ' LYS . 20.6 m-70 -78.89 -49.76 12.34 Favored 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 118.381 -1.327 . . . . 0.0 114.047 -179.509 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 40.4 t -57.72 -42.1 83.11 Favored 'General case' 0 CA--C 1.516 -0.345 0 C-N-CA 119.424 -0.911 . . . . 0.0 110.754 -178.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -77.88 -43.27 14.7 Favored Glycine 0 CA--C 1.527 0.808 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.017 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.552 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 7.3 ttpm? -58.75 -42.25 88.45 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 113.415 0.894 . . . . 0.0 113.415 -179.193 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.528 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 85.3 tt0 -126.97 141.58 51.76 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 112.891 0.7 . . . . 0.0 112.891 -178.247 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.88 -150.77 52.16 Favored Glycine 0 C--N 1.335 0.475 0 CA-C-N 115.273 -0.876 . . . . 0.0 112.228 177.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -68.56 146.35 53.17 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.028 -0.586 . . . . 0.0 109.529 179.184 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.3 mtmm -85.48 151.81 23.67 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 -179.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.596 ' OH ' ' CE3' ' B' ' 90' ' ' TRP . 93.3 m-85 61.34 10.59 3.17 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.517 ' NZ ' ' OD2' ' A' ' 66' ' ' ASP . 23.6 tptt -138.14 132.03 31.34 Favored 'General case' 0 C--O 1.236 0.353 0 N-CA-C 105.386 -2.079 . . . . 0.0 105.386 175.071 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.3 tp -110.8 122.96 49.13 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.265 -176.123 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.471 ' HA ' ' OE1' ' A' ' 68' ' ' GLU . 81.9 p -86.57 165.86 15.87 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 120.901 -0.32 . . . . 0.0 111.188 -179.54 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.0 ttpm? -56.8 -48.16 78.57 Favored 'General case' 0 C--O 1.243 0.74 0 CA-C-O 121.384 0.612 . . . . 0.0 112.274 -178.311 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.585 ' HG3' ' N ' ' A' ' 32' ' ' GLU . 24.3 pttm -60.84 -47.12 87.8 Favored 'General case' 0 N--CA 1.441 -0.919 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.634 -178.525 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.585 ' N ' ' HG3' ' A' ' 31' ' ' LYS . 97.1 mt-10 -62.23 -47.78 82.9 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.481 -0.781 . . . . 0.0 112.244 -178.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.428 HD22 HG21 ' A' ' 69' ' ' VAL . 0.8 OUTLIER -61.66 -34.94 76.59 Favored 'General case' 0 CA--C 1.502 -0.891 0 C-N-CA 117.999 -1.48 . . . . 0.0 109.311 179.518 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.691 ' NZ ' HE22 ' A' ' 38' ' ' GLN . 1.8 tptm -55.22 -37.03 66.61 Favored 'General case' 0 N--CA 1.44 -0.933 0 C-N-CA 118.179 -1.408 . . . . 0.0 108.189 178.087 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.84 ' O ' HG23 ' A' ' 39' ' ' THR . 96.9 mt-10 -74.12 -41.45 61.58 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 112.984 0.735 . . . . 0.0 112.984 179.54 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.732 HD23 ' O ' ' A' ' 36' ' ' LEU . 3.0 tt -65.01 -45.25 86.33 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 120.02 -0.672 . . . . 0.0 111.169 -177.391 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.569 ' O ' ' O ' ' A' ' 41' ' ' LEU . 0.9 OUTLIER -65.0 -44.09 90.4 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 119.328 -0.949 . . . . 0.0 111.311 179.884 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.691 HE22 ' NZ ' ' A' ' 34' ' ' LYS . 95.7 mt-30 -63.58 -39.12 93.57 Favored 'General case' 0 CA--C 1.519 -0.216 0 C-N-CA 120.349 -0.54 . . . . 0.0 111.514 179.66 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.84 HG23 ' O ' ' A' ' 35' ' ' GLU . 62.5 p -71.46 -32.85 68.79 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.499 -0.48 . . . . 0.0 111.116 179.709 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.501 ' OE1' ' OG ' ' B' ' 2' ' ' SER . 77.3 mm-40 -101.75 -60.01 1.6 Allowed 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 113.383 0.882 . . . . 0.0 113.383 -179.033 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.569 ' O ' ' O ' ' A' ' 37' ' ' LEU . 54.3 mt -99.07 141.55 31.69 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 121.267 0.556 . . . . 0.0 111.535 -179.063 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.9 t -113.41 -59.26 2.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.507 179.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.11 -39.5 92.25 Favored Glycine 0 CA--C 1.532 1.121 0 CA-C-N 116.152 -0.477 . . . . 0.0 114.162 -177.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -63.08 -54.4 38.59 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 118.067 0.933 . . . . 0.0 112.706 -178.095 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -73.97 -37.87 64.35 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 120.526 -0.47 . . . . 0.0 112.105 178.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -59.32 -29.33 67.56 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.136 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.98 -31.75 61.05 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.512 -177.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 81.3 mm-40 -96.81 118.88 34.22 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 119.391 -0.924 . . . . 0.0 109.197 179.021 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 69.1 tttt -63.18 -40.18 96.79 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 114.179 1.177 . . . . 0.0 114.179 -178.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -71.37 142.51 50.36 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 113.125 0.787 . . . . 0.0 113.125 -177.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.522 ' O ' HG12 ' A' ' 54' ' ' VAL . 4.9 m -72.13 -28.56 29.81 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.111 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 177.562 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -60.54 -25.39 66.11 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 114.3 -1.318 . . . . 0.0 108.987 177.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.6 -37.61 50.79 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 114.693 -1.14 . . . . 0.0 110.848 -177.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.569 HG13 ' N ' ' A' ' 55' ' ' ASP . 8.2 p -60.42 -42.43 91.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 119.273 -0.971 . . . . 0.0 109.653 178.478 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.569 ' N ' HG13 ' A' ' 54' ' ' VAL . 56.1 t0 -61.79 -41.63 97.98 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 179.037 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 48.1 mttm -60.67 -39.75 89.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.523 179.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 69.9 t -65.77 -45.86 90.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 C-N-CA 120.545 -0.462 . . . . 0.0 111.192 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.1 ppp? -69.7 -33.81 73.04 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 114.289 1.218 . . . . 0.0 114.289 -178.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.7 mtmt -59.18 -40.58 86.14 Favored 'General case' 0 CA--C 1.521 -0.169 0 C-N-CA 119.015 -1.074 . . . . 0.0 111.373 -179.288 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -64.24 -39.95 95.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.36 0.6 . . . . 0.0 110.676 178.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.482 HD11 HD22 ' A' ' 77' ' ' LEU . 80.5 mt -68.33 -34.45 76.14 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.153 -0.93 . . . . 0.0 112.987 -179.168 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.536 ' OD2' ' N ' ' A' ' 67' ' ' GLY . 47.8 t0 -73.38 82.78 1.42 Allowed 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 118.42 -1.312 . . . . 0.0 111.413 -177.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -67.18 -46.41 74.04 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 122.653 1.216 . . . . 0.0 112.257 177.15 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 31.8 m120 -57.27 -34.88 69.11 Favored 'General case' 0 C--N 1.299 -1.605 0 CA-C-N 112.38 -2.191 . . . . 0.0 113.259 -177.086 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 89.27 4.17 74.56 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 108.121 -1.992 . . . . 0.0 108.121 -177.167 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.655 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 46.5 p30 -62.23 -30.59 71.2 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 114.132 -1.034 . . . . 0.0 111.411 179.546 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.655 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 100.3 -5.73 57.55 Favored Glycine 0 CA--C 1.52 0.38 0 N-CA-C 110.65 -0.98 . . . . 0.0 110.65 -179.597 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.474 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 29.1 mm-40 -122.62 165.97 15.61 Favored 'General case' 0 C--O 1.242 0.67 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 178.05 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.428 HG21 HD22 ' A' ' 33' ' ' LEU . 38.4 t -98.65 132.25 44.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 178.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -96.17 159.28 15.04 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.239 0.542 . . . . 0.0 111.64 -178.485 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -50.52 -45.06 56.45 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.799 -178.145 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.405 ' HG2' HG21 ' B' ' 83' ' ' VAL . 94.2 mt-30 -61.51 -39.97 92.91 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 119.777 -0.769 . . . . 0.0 110.63 178.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.442 ' CD ' ' O ' ' A' ' 61' ' ' LEU . 94.0 mt-10 -65.27 -42.15 93.52 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 121.976 0.893 . . . . 0.0 110.325 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -63.85 -40.37 96.42 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-O 122.256 1.027 . . . . 0.0 109.548 178.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.596 HG13 ' HB1' ' B' ' 79' ' ' ALA . 0.5 OUTLIER -60.84 -48.12 90.28 Favored 'Isoleucine or valine' 0 C--O 1.245 0.865 0 CA-C-N 113.78 -1.555 . . . . 0.0 110.397 -179.287 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.409 HG22 ' O ' ' A' ' 73' ' ' GLU . 12.8 m -68.06 -34.05 64.57 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 C-N-CA 118.063 -1.455 . . . . 0.0 109.249 178.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.482 HD22 HD11 ' A' ' 61' ' ' LEU . 51.2 tp -56.55 -52.58 64.26 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 119.049 -1.06 . . . . 0.0 111.925 178.312 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.437 ' O ' ' OG1' ' A' ' 82' ' ' THR . 33.9 m -69.69 -36.62 71.15 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 C-N-CA 118.607 -1.237 . . . . 0.0 111.921 -178.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.633 ' HB2' ' HB2' ' B' ' 79' ' ' ALA . . . -68.43 -48.05 65.61 Favored 'General case' 0 C--O 1.249 1.067 0 C-N-CA 119.084 -1.046 . . . . 0.0 111.855 -179.359 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.3 -40.58 97.75 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 179.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.0 mp -65.47 -33.51 76.1 Favored 'General case' 0 C--O 1.219 -0.535 0 C-N-CA 119.224 -0.991 . . . . 0.0 109.8 176.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 34.4 m -63.05 -51.47 66.58 Favored 'General case' 0 C--O 1.249 1.066 0 C-N-CA 119.737 -0.785 . . . . 0.0 111.299 179.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.431 HG22 HD21 ' A' ' 87' ' ' ASN . 14.0 p -63.25 -39.08 83.92 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 119.428 -0.909 . . . . 0.0 110.718 178.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.513 ' O ' ' CD2' ' A' ' 88' ' ' PHE . . . -65.17 -34.98 79.66 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 120.486 -0.485 . . . . 0.0 109.849 178.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 31.0 t -62.87 -55.96 21.56 Favored 'General case' 0 CA--C 1.507 -0.677 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.89 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.502 ' ND2' HG23 ' B' ' 12' ' ' ILE . 52.5 t-20 -57.32 -39.28 75.51 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 118.299 -1.361 . . . . 0.0 108.956 178.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.431 HD21 HG22 ' A' ' 83' ' ' VAL . 86.3 m-20 -59.27 -40.22 85.39 Favored 'General case' 0 C--N 1.338 0.086 0 C-N-CA 120.464 -0.495 . . . . 0.0 110.943 179.217 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.537 ' O ' ' O ' ' A' ' 91' ' ' GLU . 61.1 m-85 -67.57 -39.99 84.89 Favored 'General case' 0 CA--C 1.52 -0.175 0 C-N-CA 119.781 -0.768 . . . . 0.0 111.059 178.664 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -62.53 -52.45 63.4 Favored 'General case' 0 C--N 1.33 -0.283 0 C-N-CA 119.691 -0.804 . . . . 0.0 111.255 -179.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.602 ' CE3' ' OH ' ' B' ' 26' ' ' TYR . 23.1 t-105 -67.55 -39.94 84.98 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 121.16 0.505 . . . . 0.0 112.306 178.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.537 ' O ' ' O ' ' A' ' 88' ' ' PHE . 4.6 tm-20 -103.2 140.4 37.42 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.929 -176.691 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.529 ' N ' ' OE1' ' A' ' 91' ' ' GLU . 85.9 m-20 -104.93 137.99 41.85 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.485 179.7 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.434 ' O ' ' OG ' ' A' ' 93' ' ' SER . 18.4 t . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 118.026 -0.987 . . . . 0.0 110.582 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.6 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . 0.501 ' OG ' ' OE1' ' A' ' 40' ' ' GLU . 43.5 t -118.63 141.21 48.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.856 0.36 . . . . 0.0 110.982 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -63.2 -38.79 92.58 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.167 -0.47 . . . . 0.0 112.264 -179.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.66 HD23 ' O ' ' B' ' 4' ' ' LEU . 5.3 tt -64.14 -42.92 96.59 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-O 121.8 0.81 . . . . 0.0 109.229 -179.204 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.448 ' OE1' ' C ' ' B' ' 5' ' ' GLU . 7.5 tm-20 -64.37 -39.98 94.92 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.381 179.477 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 45.4 m -60.23 -40.14 89.17 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 178.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.5 -43.97 95.66 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.142 179.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 97.7 mtp -59.05 -41.31 87.58 Favored 'General case' 0 C--O 1.248 0.982 0 CA-C-O 121.778 0.799 . . . . 0.0 109.501 178.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -64.83 -36.24 83.69 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.956 178.281 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 46.5 m -63.25 -44.08 96.2 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 119.962 -0.695 . . . . 0.0 110.314 179.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 45.2 mt -62.42 -43.22 99.34 Favored 'General case' 0 C--O 1.241 0.615 0 C-N-CA 119.434 -0.906 . . . . 0.0 109.338 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.502 HG23 ' ND2' ' A' ' 86' ' ' ASN . 98.9 mt -61.88 -46.68 95.97 Favored 'Isoleucine or valine' 0 C--O 1.232 0.143 0 C-N-CA 119.796 -0.762 . . . . 0.0 111.335 178.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -61.5 -41.93 98.03 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 -178.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 14.5 m -73.88 -41.87 53.55 Favored 'Isoleucine or valine' 0 C--O 1.257 1.468 0 C-N-CA 119.2 -1.0 . . . . 0.0 111.908 -179.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -60.49 -47.62 85.34 Favored 'General case' 0 CA--C 1.508 -0.656 0 C-N-CA 119.008 -1.077 . . . . 0.0 109.529 178.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -64.25 -35.06 79.6 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.07 178.233 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.549 ' O ' ' CB ' ' B' ' 21' ' ' LYS . . . -57.36 -52.6 64.72 Favored 'General case' 0 N--CA 1.436 -1.163 0 C-N-CA 118.764 -1.174 . . . . 0.0 110.009 -178.542 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.513 ' HA ' ' HZ1' ' B' ' 21' ' ' LYS . 20.6 m-70 -78.68 -49.81 12.51 Favored 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 118.412 -1.315 . . . . 0.0 114.093 -179.564 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 40.6 t -57.78 -42.24 83.68 Favored 'General case' 0 CA--C 1.516 -0.364 0 C-N-CA 119.537 -0.865 . . . . 0.0 110.713 -178.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -77.82 -43.36 14.69 Favored Glycine 0 CA--C 1.528 0.886 0 C-N-CA 120.796 -0.716 . . . . 0.0 111.997 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.549 ' CB ' ' O ' ' B' ' 17' ' ' ALA . 7.3 ttpm? -58.73 -42.25 88.34 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 -179.152 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.534 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 85.3 tt0 -126.87 141.71 51.74 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 119.924 -0.71 . . . . 0.0 112.892 -178.342 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.75 -150.65 52.06 Favored Glycine 0 C--N 1.334 0.418 0 CA-C-N 115.304 -0.862 . . . . 0.0 112.238 177.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -68.56 146.31 53.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.036 -0.582 . . . . 0.0 109.521 179.203 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 24.2 mtmm -85.45 151.82 23.68 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 -179.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.602 ' OH ' ' CE3' ' A' ' 90' ' ' TRP . 93.3 m-85 61.33 10.51 3.12 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.507 ' CE ' ' OD2' ' B' ' 66' ' ' ASP . 25.5 tptt -137.95 132.23 32.04 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 105.436 -2.061 . . . . 0.0 105.436 175.016 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 19.2 tp -110.93 122.88 48.98 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.449 -0.5 . . . . 0.0 110.309 -176.272 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.478 ' HA ' ' OE1' ' B' ' 68' ' ' GLU . 81.9 p -86.59 165.97 15.76 Favored 'General case' 0 C--N 1.332 -0.196 0 C-N-CA 120.884 -0.326 . . . . 0.0 111.152 -179.475 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 5.0 ttpm? -56.83 -48.24 78.47 Favored 'General case' 0 C--O 1.243 0.737 0 CA-C-O 121.492 0.663 . . . . 0.0 112.191 -178.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.591 ' HG3' ' N ' ' B' ' 32' ' ' GLU . 24.2 pttm -60.95 -47.04 88.25 Favored 'General case' 0 N--CA 1.441 -0.9 0 C-N-CA 119.931 -0.708 . . . . 0.0 109.552 -178.427 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.591 ' N ' ' HG3' ' B' ' 31' ' ' LYS . 97.1 mt-10 -62.24 -47.73 83.11 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.536 -0.756 . . . . 0.0 112.23 -178.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.436 HD22 HG21 ' B' ' 69' ' ' VAL . 0.8 OUTLIER -61.69 -34.87 76.52 Favored 'General case' 0 CA--C 1.502 -0.884 0 C-N-CA 118.08 -1.448 . . . . 0.0 109.417 179.49 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.717 ' NZ ' HE22 ' B' ' 38' ' ' GLN . 1.8 tptm -55.24 -37.11 66.79 Favored 'General case' 0 N--CA 1.44 -0.945 0 C-N-CA 118.139 -1.424 . . . . 0.0 108.146 178.01 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.842 ' O ' HG23 ' B' ' 39' ' ' THR . 97.0 mt-10 -74.06 -41.46 61.71 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 112.943 0.72 . . . . 0.0 112.943 179.592 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.729 HD23 ' O ' ' B' ' 36' ' ' LEU . 3.1 tt -64.93 -45.35 86.21 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 120.082 -0.647 . . . . 0.0 111.146 -177.353 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.567 ' O ' ' O ' ' B' ' 41' ' ' LEU . 0.9 OUTLIER -64.89 -44.27 90.16 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 119.312 -0.955 . . . . 0.0 111.231 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.717 HE22 ' NZ ' ' B' ' 34' ' ' LYS . 95.7 mt-30 -63.47 -39.17 93.76 Favored 'General case' 0 CA--C 1.52 -0.198 0 C-N-CA 120.328 -0.549 . . . . 0.0 111.467 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.842 HG23 ' O ' ' B' ' 35' ' ' GLU . 60.1 p -71.47 -32.8 68.69 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.439 -0.504 . . . . 0.0 111.074 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.499 ' OE1' ' OG ' ' A' ' 2' ' ' SER . 77.5 mm-40 -101.8 -60.02 1.6 Allowed 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 -179.002 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.567 ' O ' ' O ' ' B' ' 37' ' ' LEU . 54.4 mt -99.07 141.55 31.69 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 121.281 0.562 . . . . 0.0 111.55 -179.072 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 5.0 t -113.53 -59.21 2.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.446 179.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.02 -39.5 92.04 Favored Glycine 0 CA--C 1.532 1.124 0 CA-C-N 116.172 -0.467 . . . . 0.0 114.155 -178.058 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -63.11 -54.38 38.75 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 118.045 0.923 . . . . 0.0 112.744 -178.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -73.92 -37.92 64.48 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 120.54 -0.464 . . . . 0.0 112.126 178.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -59.31 -29.4 67.59 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.94 -31.69 60.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.508 -177.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -96.94 118.94 34.45 Favored 'General case' 0 N--CA 1.462 0.151 0 C-N-CA 119.367 -0.933 . . . . 0.0 109.109 179.059 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 69.2 tttt -63.16 -40.16 96.74 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 114.174 1.176 . . . . 0.0 114.174 -178.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -71.52 142.61 50.12 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 -177.241 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . 0.531 ' O ' HG12 ' B' ' 54' ' ' VAL . 4.9 m -72.15 -28.58 29.78 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.169 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 177.526 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -60.61 -25.28 66.14 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 114.403 -1.271 . . . . 0.0 109.064 177.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.71 -37.5 51.13 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 114.69 -1.141 . . . . 0.0 110.881 -178.018 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.566 HG13 ' N ' ' B' ' 55' ' ' ASP . 8.1 p -60.47 -42.38 91.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 119.255 -0.978 . . . . 0.0 109.655 178.425 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.566 ' N ' HG13 ' B' ' 54' ' ' VAL . 56.0 t0 -61.69 -41.86 98.15 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 178.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 48.0 mttm -60.51 -39.76 88.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.575 179.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 69.8 t -65.84 -45.74 90.6 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 C-N-CA 120.622 -0.431 . . . . 0.0 111.232 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 1.1 ppp? -69.75 -33.83 72.98 Favored 'General case' 0 CA--C 1.535 0.404 0 N-CA-C 114.306 1.225 . . . . 0.0 114.306 -178.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 13.7 mtmt -59.2 -40.63 86.35 Favored 'General case' 0 CA--C 1.521 -0.142 0 C-N-CA 119.053 -1.059 . . . . 0.0 111.306 -179.244 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -64.3 -39.89 94.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.244 0.545 . . . . 0.0 110.607 178.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.479 HD11 HD22 ' B' ' 77' ' ' LEU . 80.4 mt -68.27 -34.57 76.42 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.261 -0.881 . . . . 0.0 112.964 -179.201 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.541 ' OD2' ' N ' ' B' ' 67' ' ' GLY . 47.9 t0 -73.36 82.79 1.41 Allowed 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 118.375 -1.33 . . . . 0.0 111.375 -177.735 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -67.13 -46.42 74.16 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 122.621 1.201 . . . . 0.0 112.281 177.08 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 31.8 m120 -57.32 -34.9 69.22 Favored 'General case' 0 C--N 1.299 -1.612 0 CA-C-N 112.472 -2.149 . . . . 0.0 113.229 -177.092 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 89.22 4.19 74.66 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 108.164 -1.974 . . . . 0.0 108.164 -177.127 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.659 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 46.6 p30 -62.18 -30.72 71.26 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 114.084 -1.058 . . . . 0.0 111.37 179.572 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.659 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 100.44 -5.78 57.34 Favored Glycine 0 CA--C 1.52 0.369 0 N-CA-C 110.659 -0.976 . . . . 0.0 110.659 -179.539 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.478 ' OE1' ' HA ' ' B' ' 29' ' ' SER . 29.2 mm-40 -122.68 166.04 15.55 Favored 'General case' 0 C--O 1.243 0.728 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 178.047 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.436 HG21 HD22 ' B' ' 33' ' ' LEU . 38.6 t -98.65 132.34 44.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 178.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -95.76 159.2 15.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.259 0.552 . . . . 0.0 111.56 -178.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -50.65 -45.01 57.66 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.741 -178.499 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.404 ' HG2' HG21 ' A' ' 83' ' ' VAL . 94.2 mt-30 -61.64 -39.92 93.06 Favored 'General case' 0 C--O 1.241 0.653 0 C-N-CA 119.842 -0.743 . . . . 0.0 110.552 178.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.432 ' CD ' ' O ' ' B' ' 61' ' ' LEU . 94.1 mt-10 -65.36 -41.99 93.25 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-O 121.884 0.849 . . . . 0.0 110.359 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -63.97 -40.35 96.21 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-O 122.222 1.011 . . . . 0.0 109.474 178.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.591 HG13 ' HB1' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -60.85 -48.19 90.01 Favored 'Isoleucine or valine' 0 C--O 1.245 0.856 0 CA-C-N 113.822 -1.535 . . . . 0.0 110.365 -179.303 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.405 HG22 ' O ' ' B' ' 73' ' ' GLU . 13.0 m -68.15 -33.96 63.81 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 C-N-CA 117.944 -1.503 . . . . 0.0 109.172 178.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.479 HD22 HD11 ' B' ' 61' ' ' LEU . 51.3 tp -56.57 -52.58 64.27 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 119.06 -1.056 . . . . 0.0 111.896 178.307 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.401 ' O ' ' OG1' ' B' ' 82' ' ' THR . 33.9 m -69.64 -36.68 71.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 C-N-CA 118.575 -1.25 . . . . 0.0 111.957 -178.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.633 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . . . -68.36 -48.04 65.83 Favored 'General case' 0 C--O 1.249 1.056 0 C-N-CA 119.149 -1.02 . . . . 0.0 111.907 -179.361 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.4 -40.49 97.35 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 179.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 5.9 mp -65.46 -33.49 76.05 Favored 'General case' 0 C--O 1.218 -0.571 0 C-N-CA 119.17 -1.012 . . . . 0.0 109.806 176.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 35.4 m -63.14 -51.38 66.71 Favored 'General case' 0 C--O 1.249 1.062 0 C-N-CA 119.634 -0.826 . . . . 0.0 111.236 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.431 HG22 HD21 ' B' ' 87' ' ' ASN . 14.0 p -63.23 -39.04 83.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 119.308 -0.957 . . . . 0.0 110.749 178.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.511 ' O ' ' CD2' ' B' ' 88' ' ' PHE . . . -65.18 -34.88 79.42 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 120.445 -0.502 . . . . 0.0 109.857 178.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 31.6 t -62.98 -55.95 21.32 Favored 'General case' 0 CA--C 1.508 -0.669 0 CA-C-N 115.463 -0.789 . . . . 0.0 109.818 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.503 ' ND2' HG23 ' A' ' 12' ' ' ILE . 52.5 t-20 -57.34 -39.34 75.7 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 118.417 -1.313 . . . . 0.0 108.859 179.012 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . 0.431 HD21 HG22 ' B' ' 83' ' ' VAL . 86.5 m-20 -59.32 -40.25 85.68 Favored 'General case' 0 C--N 1.337 0.06 0 C-N-CA 120.484 -0.486 . . . . 0.0 110.901 179.246 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.543 ' O ' ' O ' ' B' ' 91' ' ' GLU . 61.2 m-85 -67.51 -40.09 85.13 Favored 'General case' 0 CA--C 1.522 -0.132 0 C-N-CA 119.873 -0.731 . . . . 0.0 111.04 178.657 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -62.48 -52.39 63.69 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 119.637 -0.825 . . . . 0.0 111.297 -179.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.596 ' CE3' ' OH ' ' A' ' 26' ' ' TYR . 23.1 t-105 -67.62 -39.92 84.69 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 121.194 0.521 . . . . 0.0 112.3 179.013 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.543 ' O ' ' O ' ' B' ' 88' ' ' PHE . 4.6 tm-20 -103.24 140.38 37.45 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.961 -176.709 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . 0.519 ' N ' ' OE1' ' B' ' 91' ' ' GLU . 85.9 m-20 -104.87 137.96 41.85 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.534 179.728 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 18.3 t . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 118.016 -0.992 . . . . 0.0 110.501 -179.956 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 201' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.703 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.504 ' OG ' ' OE1' ' B' ' 40' ' ' GLU . 35.3 t -118.57 140.41 49.93 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.656 0.265 . . . . 0.0 110.597 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.14 -37.95 89.25 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.941 -179.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.483 HD23 ' O ' ' A' ' 4' ' ' LEU . 5.7 tt -61.04 -41.18 96.1 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 -178.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.52 -37.57 87.16 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.369 178.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 43.8 m -59.16 -41.05 87.45 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 179.055 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.64 -46.13 83.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.43 179.246 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 99.4 mtp -59.39 -41.56 89.68 Favored 'General case' 0 C--O 1.248 1.018 0 CA-C-O 121.724 0.773 . . . . 0.0 109.834 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -65.41 -35.58 81.36 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.239 177.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 49.1 m -63.81 -42.99 97.57 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 119.589 -0.844 . . . . 0.0 109.892 179.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 37.9 mt -61.76 -42.58 99.17 Favored 'General case' 0 C--O 1.24 0.553 0 C-N-CA 119.043 -1.063 . . . . 0.0 108.798 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.4 mt -61.19 -45.66 98.16 Favored 'Isoleucine or valine' 0 C--O 1.231 0.113 0 C-N-CA 119.693 -0.803 . . . . 0.0 111.221 178.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -62.15 -41.76 98.59 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 113.14 0.792 . . . . 0.0 113.14 -178.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.8 m -73.78 -41.21 54.3 Favored 'Isoleucine or valine' 0 C--O 1.256 1.419 0 C-N-CA 119.27 -0.972 . . . . 0.0 111.569 -179.195 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.434 ' CE2' ' CG ' ' A' ' 71' ' ' PHE . 84.5 t80 -59.96 -47.95 83.71 Favored 'General case' 0 CA--C 1.509 -0.597 0 C-N-CA 119.585 -0.846 . . . . 0.0 109.793 177.615 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -65.78 -34.0 77.17 Favored 'General case' 0 CA--C 1.504 -0.824 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.595 178.164 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.525 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . -58.55 -52.58 65.06 Favored 'General case' 0 N--CA 1.438 -1.056 0 C-N-CA 118.757 -1.177 . . . . 0.0 110.092 -178.498 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.631 ' HA ' ' HZ1' ' A' ' 21' ' ' LYS . 22.0 m-70 -78.84 -48.31 14.95 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 118.618 -1.233 . . . . 0.0 113.595 -179.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.8 t -58.29 -44.16 88.38 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 119.549 -0.86 . . . . 0.0 110.74 -179.238 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.1 -43.88 31.47 Favored Glycine 0 CA--C 1.526 0.745 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.81 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.631 ' HZ1' ' HA ' ' A' ' 18' ' ' HIS . 7.3 ttpm? -59.34 -41.34 88.94 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 -178.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.519 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 49.2 tp10 -122.67 140.87 52.37 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 -178.066 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.36 -141.9 47.88 Favored Glycine 0 CA--C 1.52 0.405 0 CA-C-N 114.88 -1.054 . . . . 0.0 112.595 177.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -70.63 146.44 50.03 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.03 -0.585 . . . . 0.0 109.977 179.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.4 mtmm -86.48 150.34 24.35 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 -179.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.489 ' OH ' ' CE3' ' B' ' 90' ' ' TRP . 87.7 m-85 60.42 14.76 4.98 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.553 ' HZ3' ' HG2' ' A' ' 68' ' ' GLU . 18.2 tptm -136.47 136.22 39.27 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 106.751 -1.574 . . . . 0.0 106.751 176.684 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.457 ' C ' ' OE2' ' A' ' 68' ' ' GLU . 14.1 tp -115.03 130.74 57.01 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 120.49 -0.484 . . . . 0.0 111.549 -175.41 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.45 ' CA ' ' OE2' ' A' ' 68' ' ' GLU . 39.7 t -104.92 158.62 16.41 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.597 179.575 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.2 ttpt -53.26 -46.44 69.23 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-O 121.253 0.549 . . . . 0.0 111.481 -177.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.607 ' CG ' ' N ' ' A' ' 32' ' ' GLU . 47.5 pttt -59.83 -48.29 82.29 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.674 -178.475 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.607 ' N ' ' CG ' ' A' ' 31' ' ' LYS . 95.3 mt-10 -63.16 -48.28 79.09 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 115.375 -0.829 . . . . 0.0 112.299 -178.402 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.2 pp -62.36 -34.17 76.17 Favored 'General case' 0 CA--C 1.496 -1.115 0 C-N-CA 118.318 -1.353 . . . . 0.0 110.025 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.7 tptp -54.78 -36.51 64.95 Favored 'General case' 0 N--CA 1.434 -1.235 0 C-N-CA 117.5 -1.68 . . . . 0.0 107.629 178.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.635 ' O ' HG23 ' A' ' 39' ' ' THR . 96.9 mt-10 -74.67 -41.91 59.43 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 120.154 -0.619 . . . . 0.0 112.462 178.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.744 HD23 ' O ' ' A' ' 36' ' ' LEU . 2.2 tt -64.62 -45.34 87.28 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 120.298 -0.561 . . . . 0.0 111.299 -177.543 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.568 ' O ' ' N ' ' A' ' 41' ' ' LEU . 1.1 mm? -64.31 -43.05 95.93 Favored 'General case' 0 CA--C 1.521 -0.135 0 C-N-CA 119.038 -1.065 . . . . 0.0 111.17 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -63.91 -39.65 94.66 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 120.247 -0.581 . . . . 0.0 112.124 179.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.635 HG23 ' O ' ' A' ' 35' ' ' GLU . 81.3 p -71.2 -37.57 72.09 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 119.733 -0.787 . . . . 0.0 111.427 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.503 ' OE1' ' OG ' ' B' ' 2' ' ' SER . 76.4 mm-40 -92.5 -53.62 4.13 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.568 ' N ' ' O ' ' A' ' 37' ' ' LEU . 27.9 mt -103.68 141.62 35.75 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.26 0.552 . . . . 0.0 111.096 -179.432 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.547 ' OG ' ' N ' ' A' ' 43' ' ' GLY . 24.9 p -114.53 -67.22 1.01 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.872 179.231 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.547 ' N ' ' OG ' ' A' ' 42' ' ' SER . . . -57.87 -37.78 86.01 Favored Glycine 0 CA--C 1.531 1.044 0 CA-C-N 115.812 -0.631 . . . . 0.0 113.714 -178.647 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -61.02 -53.93 51.19 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 118.015 0.907 . . . . 0.0 112.233 -178.09 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -74.18 -37.49 63.93 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 120.597 -0.441 . . . . 0.0 111.502 178.364 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -59.36 -29.43 67.68 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.042 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.76 -31.72 59.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.706 -177.612 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 82.0 mm-40 -96.65 119.33 34.93 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 119.351 -0.94 . . . . 0.0 109.124 179.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -62.92 -40.73 98.51 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 114.169 1.174 . . . . 0.0 114.169 -178.541 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -71.73 142.38 49.79 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 -177.257 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.505 ' O ' HG12 ' A' ' 54' ' ' VAL . 5.0 m -72.05 -29.36 32.57 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.184 0 N-CA-C 107.791 -1.188 . . . . 0.0 107.791 177.402 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -58.99 -25.07 63.29 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 114.309 -1.314 . . . . 0.0 108.93 177.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.448 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -52.37 -37.73 57.04 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 114.572 -1.194 . . . . 0.0 110.97 -178.02 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.554 HG13 ' N ' ' A' ' 55' ' ' ASP . 9.1 p -60.16 -42.47 90.28 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 C-N-CA 119.141 -1.023 . . . . 0.0 109.517 178.598 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.554 ' N ' HG13 ' A' ' 54' ' ' VAL . 55.8 t0 -61.91 -42.54 99.21 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.389 178.729 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 55.4 mttm -60.29 -38.98 85.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.31 179.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 53' ' ' ALA . 72.8 t -65.11 -43.99 95.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.18 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.459 ' CE ' ' O ' ' A' ' 67' ' ' GLY . 1.4 ppp? -70.48 -33.1 70.87 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 115.123 1.527 . . . . 0.0 115.123 -178.266 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.404 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 29.1 mmtm -59.62 -40.12 86.52 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 119.507 -0.877 . . . . 0.0 112.967 -178.456 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -70.53 -35.18 73.01 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 119.455 -0.898 . . . . 0.0 110.1 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.404 ' O ' ' CD ' ' A' ' 73' ' ' GLU . 85.0 mt -67.5 -34.72 77.71 Favored 'General case' 0 CA--C 1.511 -0.537 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.966 179.534 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.613 ' OD2' ' N ' ' A' ' 67' ' ' GLY . 50.2 t0 -75.34 93.37 2.89 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 118.739 -1.184 . . . . 0.0 111.436 -177.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -64.19 -45.98 85.97 Favored 'General case' 0 CA--C 1.508 -0.654 0 CA-C-O 122.586 1.184 . . . . 0.0 111.286 176.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 31.2 m120 -59.12 -33.02 70.36 Favored 'General case' 0 C--N 1.298 -1.635 0 CA-C-N 112.566 -2.106 . . . . 0.0 112.568 -178.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.8 18.47 67.82 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 108.09 -2.004 . . . . 0.0 108.09 -176.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.599 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 50.1 p30 -86.5 5.86 33.31 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 114.172 -1.014 . . . . 0.0 112.375 -178.581 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.613 ' N ' ' OD2' ' A' ' 62' ' ' ASP . . . 63.14 -1.44 1.94 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.161 -1.175 . . . . 0.0 110.161 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.553 ' HG2' ' HZ3' ' A' ' 27' ' ' LYS . 37.0 tp10 -114.89 141.03 48.48 Favored 'General case' 0 C--O 1.239 0.525 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 -179.535 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 46.5 t -102.77 132.61 48.55 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.451 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 -179.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.494 ' C ' ' OD1' ' A' ' 70' ' ' ASP . 28.9 p30 -101.96 172.11 7.12 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 121.194 0.521 . . . . 0.0 110.842 -178.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.434 ' CG ' ' CE2' ' A' ' 15' ' ' PHE . 0.9 OUTLIER -54.07 -45.34 71.69 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.965 -178.403 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -61.74 -41.04 97.14 Favored 'General case' 0 C--O 1.245 0.827 0 C-N-CA 119.841 -0.743 . . . . 0.0 111.84 -179.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.466 ' O ' HG22 ' A' ' 76' ' ' VAL . 94.1 mt-10 -64.72 -41.74 95.76 Favored 'General case' 0 C--O 1.241 0.657 0 CA-C-O 122.08 0.943 . . . . 0.0 109.985 179.387 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 70.3 t80 -63.71 -40.98 98.11 Favored 'General case' 0 C--O 1.241 0.62 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.19 178.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.611 HG13 ' HB1' ' B' ' 79' ' ' ALA . 0.5 OUTLIER -60.0 -47.69 90.78 Favored 'Isoleucine or valine' 0 C--O 1.248 0.99 0 CA-C-N 113.926 -1.488 . . . . 0.0 109.817 -179.092 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.466 HG22 ' O ' ' A' ' 73' ' ' GLU . 14.3 m -67.46 -34.43 68.52 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 C-N-CA 117.727 -1.589 . . . . 0.0 109.313 178.494 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 43.6 tp -55.95 -51.56 67.25 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 118.671 -1.212 . . . . 0.0 111.925 178.095 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 35.1 m -69.13 -36.2 72.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 118.544 -1.262 . . . . 0.0 111.764 -178.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.695 ' HB2' ' HB2' ' B' ' 79' ' ' ALA . . . -67.92 -47.68 68.08 Favored 'General case' 0 C--O 1.251 1.143 0 C-N-CA 119.052 -1.059 . . . . 0.0 111.814 -179.622 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.21 -39.89 95.92 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.261 179.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.0 mp -65.25 -34.88 79.41 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 119.184 -1.006 . . . . 0.0 109.714 176.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 39.2 m -62.79 -50.59 70.4 Favored 'General case' 0 C--O 1.249 1.045 0 C-N-CA 119.704 -0.798 . . . . 0.0 111.386 179.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 14.1 p -63.21 -38.84 83.18 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 119.081 -1.048 . . . . 0.0 110.588 178.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.42 ' O ' ' CD2' ' A' ' 88' ' ' PHE . . . -64.83 -34.25 77.93 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 120.429 -0.508 . . . . 0.0 109.906 178.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 40.6 t -63.48 -54.5 35.41 Favored 'General case' 0 CA--C 1.508 -0.647 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.342 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -55.77 -40.4 72.56 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 118.522 -1.271 . . . . 0.0 108.702 178.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.692 ' O ' ' HB2' ' A' ' 91' ' ' GLU . 86.6 m-20 -59.77 -42.07 92.47 Favored 'General case' 0 C--O 1.204 -1.33 0 C-N-CA 120.172 -0.611 . . . . 0.0 110.563 178.734 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.522 ' O ' ' O ' ' A' ' 91' ' ' GLU . 75.9 m-85 -66.06 -36.2 82.58 Favored 'General case' 0 C--N 1.31 -1.115 0 C-N-CA 117.061 -1.856 . . . . 0.0 110.558 178.644 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -64.94 -61.8 1.95 Allowed 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 119.51 -0.876 . . . . 0.0 112.154 -178.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.503 ' CD1' ' C ' ' A' ' 90' ' ' TRP . 19.8 t-105 -68.76 -43.07 76.57 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 121.625 0.726 . . . . 0.0 111.595 179.043 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.692 ' HB2' ' O ' ' A' ' 87' ' ' ASN . 67.9 mm-40 -98.46 148.84 23.32 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.602 -1.181 . . . . 0.0 111.426 -179.023 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 59.14 43.98 16.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.684 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 32.0 p . . . . . 0 C--O 1.219 -0.537 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.51 179.968 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.561 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . 0.503 ' OG ' ' OE1' ' A' ' 40' ' ' GLU . 35.6 t -118.72 140.36 50.06 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.712 0.291 . . . . 0.0 110.519 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -63.1 -37.89 89.02 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.484 HD23 ' O ' ' B' ' 4' ' ' LEU . 5.7 tt -61.13 -41.26 96.4 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -178.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.43 -37.67 87.6 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.393 178.273 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 43.8 m -59.14 -40.99 87.22 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.69 -46.11 83.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.526 179.192 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 99.4 mtp -59.43 -41.52 89.77 Favored 'General case' 0 C--O 1.248 0.976 0 CA-C-O 121.613 0.72 . . . . 0.0 109.932 179.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -65.23 -36.51 84.39 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.161 177.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 45.9 m -62.89 -43.3 99.17 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 119.709 -0.796 . . . . 0.0 110.042 179.164 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 43.7 mt -61.79 -42.47 99.04 Favored 'General case' 0 C--O 1.24 0.592 0 C-N-CA 119.117 -1.033 . . . . 0.0 108.78 179.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.5 mt -61.19 -45.64 98.2 Favored 'Isoleucine or valine' 0 C--O 1.231 0.114 0 C-N-CA 119.782 -0.767 . . . . 0.0 111.191 178.576 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -62.27 -41.8 98.79 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -178.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 14.5 m -73.71 -41.17 54.76 Favored 'Isoleucine or valine' 0 C--O 1.256 1.419 0 C-N-CA 119.244 -0.982 . . . . 0.0 111.562 -179.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.435 ' CE2' ' CG ' ' B' ' 71' ' ' PHE . 84.3 t80 -59.98 -47.94 83.73 Favored 'General case' 0 CA--C 1.51 -0.562 0 C-N-CA 119.598 -0.841 . . . . 0.0 109.775 177.674 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -65.78 -34.04 77.24 Favored 'General case' 0 CA--C 1.504 -0.81 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.566 178.237 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.531 ' O ' ' CB ' ' B' ' 21' ' ' LYS . . . -58.53 -52.47 65.49 Favored 'General case' 0 N--CA 1.436 -1.135 0 C-N-CA 118.728 -1.189 . . . . 0.0 110.195 -178.556 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.594 ' HA ' ' HZ1' ' B' ' 21' ' ' LYS . 21.7 m-70 -78.93 -48.25 14.91 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 118.543 -1.263 . . . . 0.0 113.513 -179.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 42.5 t -58.39 -44.16 88.83 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 119.685 -0.806 . . . . 0.0 110.676 -179.186 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.12 -43.93 31.21 Favored Glycine 0 CA--C 1.526 0.755 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.779 179.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.594 ' HZ1' ' HA ' ' B' ' 18' ' ' HIS . 7.3 ttpm? -59.32 -41.29 88.73 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 113.92 1.081 . . . . 0.0 113.92 -178.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.515 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 49.3 tp10 -122.84 140.97 52.37 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 113.313 0.856 . . . . 0.0 113.313 -178.094 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.29 -141.9 47.82 Favored Glycine 0 C--N 1.334 0.454 0 CA-C-N 114.777 -1.101 . . . . 0.0 112.6 177.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -70.58 146.33 50.18 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.083 -0.558 . . . . 0.0 109.944 179.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 25.4 mtmm -86.41 150.26 24.43 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 -179.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.486 ' OH ' ' CE3' ' A' ' 90' ' ' TRP . 88.0 m-85 60.41 14.88 5.05 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.429 ' HZ3' ' HG2' ' B' ' 68' ' ' GLU . 17.9 tptm -136.47 136.35 39.37 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 106.744 -1.576 . . . . 0.0 106.744 176.58 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.464 ' C ' ' OE2' ' B' ' 68' ' ' GLU . 14.1 tp -115.03 130.65 56.99 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 120.586 -0.445 . . . . 0.0 111.624 -175.456 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.459 ' CA ' ' OE2' ' B' ' 68' ' ' GLU . 40.3 t -104.79 158.48 16.49 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 122.52 0.328 . . . . 0.0 110.624 179.568 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 20.1 ttpt -53.12 -46.54 68.79 Favored 'General case' 0 C--O 1.24 0.561 0 CA-C-O 121.23 0.538 . . . . 0.0 111.506 -177.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.6 ' CG ' ' N ' ' B' ' 32' ' ' GLU . 47.4 pttt -59.82 -48.37 81.95 Favored 'General case' 0 N--CA 1.44 -0.932 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.67 -178.501 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.6 ' N ' ' CG ' ' B' ' 31' ' ' LYS . 95.2 mt-10 -63.12 -48.22 79.46 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.394 -0.821 . . . . 0.0 112.24 -178.406 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.2 pp -62.39 -34.23 76.32 Favored 'General case' 0 CA--C 1.496 -1.104 0 C-N-CA 118.368 -1.333 . . . . 0.0 110.026 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 14.7 tptp -54.64 -36.6 64.72 Favored 'General case' 0 N--CA 1.433 -1.293 0 C-N-CA 117.551 -1.66 . . . . 0.0 107.691 178.386 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.645 ' O ' HG23 ' B' ' 39' ' ' THR . 96.9 mt-10 -74.7 -41.78 59.58 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 120.149 -0.62 . . . . 0.0 112.479 178.79 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.748 HD23 ' O ' ' B' ' 36' ' ' LEU . 2.2 tt -64.68 -45.45 86.64 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 120.306 -0.557 . . . . 0.0 111.281 -177.554 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.573 ' O ' ' N ' ' B' ' 41' ' ' LEU . 1.1 mm? -64.25 -43.12 95.87 Favored 'General case' 0 CA--C 1.521 -0.156 0 C-N-CA 119.131 -1.027 . . . . 0.0 111.111 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -63.87 -39.74 94.89 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 120.3 -0.56 . . . . 0.0 111.993 179.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.645 HG23 ' O ' ' B' ' 35' ' ' GLU . 81.4 p -71.18 -37.58 72.16 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 119.76 -0.776 . . . . 0.0 111.378 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.504 ' OE1' ' OG ' ' A' ' 2' ' ' SER . 76.4 mm-40 -92.52 -53.63 4.12 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.573 ' N ' ' O ' ' B' ' 37' ' ' LEU . 28.0 mt -103.71 141.67 35.67 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.197 0.522 . . . . 0.0 111.118 -179.428 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.551 ' OG ' ' N ' ' B' ' 43' ' ' GLY . 25.1 p -114.62 -67.28 1.01 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.815 179.299 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . 0.551 ' N ' ' OG ' ' B' ' 42' ' ' SER . . . -57.9 -37.73 85.98 Favored Glycine 0 CA--C 1.531 1.052 0 CA-C-N 115.853 -0.612 . . . . 0.0 113.672 -178.603 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -61.09 -53.87 51.67 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 118.042 0.921 . . . . 0.0 112.237 -178.091 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -74.09 -37.6 64.12 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 120.613 -0.435 . . . . 0.0 111.427 178.367 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -59.32 -29.47 67.65 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.015 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.87 -31.6 59.91 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.642 -177.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -96.6 119.33 34.89 Favored 'General case' 0 C--N 1.333 -0.152 0 C-N-CA 119.388 -0.925 . . . . 0.0 109.132 179.046 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -63.05 -40.6 98.2 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 114.13 1.159 . . . . 0.0 114.13 -178.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -71.85 142.41 49.58 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 -177.289 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . 0.507 ' O ' HG12 ' B' ' 54' ' ' VAL . 5.0 m -72.05 -29.36 32.53 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.18 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 177.509 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -59.08 -25.12 63.5 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 114.304 -1.316 . . . . 0.0 108.886 177.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.453 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -52.29 -37.67 56.24 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 114.606 -1.179 . . . . 0.0 111.078 -178.105 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.551 HG13 ' N ' ' B' ' 55' ' ' ASP . 9.1 p -60.23 -42.48 90.56 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 C-N-CA 119.141 -1.023 . . . . 0.0 109.47 178.547 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.551 ' N ' HG13 ' B' ' 54' ' ' VAL . 55.8 t0 -61.89 -42.48 99.12 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.406 178.741 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 55.3 mttm -60.34 -39.09 85.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.286 179.23 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.453 HG23 ' O ' ' B' ' 53' ' ' ALA . 72.0 t -64.92 -44.04 96.19 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.324 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.249 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.467 ' CE ' ' O ' ' B' ' 67' ' ' GLY . 1.4 ppp? -70.5 -33.08 70.82 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 115.113 1.523 . . . . 0.0 115.113 -178.199 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.417 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 29.1 mmtm -59.61 -40.1 86.42 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 119.533 -0.867 . . . . 0.0 112.931 -178.394 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -70.59 -35.07 72.83 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 119.365 -0.934 . . . . 0.0 110.121 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.405 ' O ' ' CD ' ' B' ' 73' ' ' GLU . 85.1 mt -67.63 -34.72 77.53 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.851 179.579 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.609 ' OD2' ' N ' ' B' ' 67' ' ' GLY . 50.1 t0 -75.41 93.49 2.95 Favored 'General case' 0 N--CA 1.446 -0.647 0 C-N-CA 118.775 -1.17 . . . . 0.0 111.423 -178.007 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -64.24 -45.98 85.8 Favored 'General case' 0 CA--C 1.508 -0.652 0 CA-C-O 122.589 1.185 . . . . 0.0 111.238 176.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 31.1 m120 -59.18 -33.04 70.47 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-N 112.556 -2.111 . . . . 0.0 112.49 -178.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.81 18.51 67.7 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 108.1 -2.0 . . . . 0.0 108.1 -176.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.594 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 50.3 p30 -86.49 5.74 33.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 114.192 -1.004 . . . . 0.0 112.317 -178.543 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.609 ' N ' ' OD2' ' B' ' 62' ' ' ASP . . . 63.07 -1.38 1.91 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.167 -1.173 . . . . 0.0 110.167 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.522 ' H ' ' C ' ' B' ' 66' ' ' ASP . 36.6 tp10 -114.89 141.07 48.43 Favored 'General case' 0 C--O 1.24 0.568 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 -179.544 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 46.6 t -102.8 132.55 48.72 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.49 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 -179.137 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.493 ' C ' ' OD1' ' B' ' 70' ' ' ASP . 29.6 p30 -101.64 172.09 7.16 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.24 0.543 . . . . 0.0 110.87 -178.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.435 ' CG ' ' CE2' ' B' ' 15' ' ' PHE . 0.9 OUTLIER -54.17 -45.38 72.08 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.887 -178.507 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -61.68 -41.0 96.97 Favored 'General case' 0 C--O 1.243 0.741 0 C-N-CA 119.842 -0.743 . . . . 0.0 111.849 -179.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.461 ' O ' HG22 ' B' ' 76' ' ' VAL . 94.2 mt-10 -64.76 -41.8 95.6 Favored 'General case' 0 C--O 1.242 0.66 0 CA-C-O 122.052 0.93 . . . . 0.0 109.922 179.432 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -63.6 -40.99 98.35 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.221 178.108 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.609 HG13 ' HB1' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -60.08 -47.59 91.29 Favored 'Isoleucine or valine' 0 C--O 1.248 1.023 0 CA-C-N 113.901 -1.499 . . . . 0.0 109.811 -179.037 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.461 HG22 ' O ' ' B' ' 73' ' ' GLU . 14.6 m -67.58 -34.47 68.44 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 C-N-CA 117.752 -1.579 . . . . 0.0 109.186 178.565 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 43.3 tp -55.88 -51.58 67.08 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 118.68 -1.208 . . . . 0.0 111.905 178.148 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 35.2 m -69.15 -36.21 72.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 118.51 -1.276 . . . . 0.0 111.705 -178.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.695 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . . . -67.87 -47.72 68.11 Favored 'General case' 0 C--O 1.25 1.098 0 C-N-CA 119.032 -1.067 . . . . 0.0 111.828 -179.632 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.21 -39.88 95.9 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.214 179.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 5.9 mp -65.15 -35.05 79.89 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 119.23 -0.988 . . . . 0.0 109.767 176.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 40.2 m -62.85 -50.34 71.33 Favored 'General case' 0 C--O 1.248 0.999 0 C-N-CA 119.566 -0.854 . . . . 0.0 111.38 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 14.1 p -63.3 -38.82 83.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 C-N-CA 119.097 -1.041 . . . . 0.0 110.643 178.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.428 ' O ' ' CD2' ' B' ' 88' ' ' PHE . . . -64.88 -34.28 78.01 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 120.431 -0.508 . . . . 0.0 109.816 178.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 40.6 t -63.42 -54.5 35.7 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.354 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -55.79 -40.44 72.67 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 118.501 -1.28 . . . . 0.0 108.678 178.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . 0.669 ' O ' ' HB2' ' B' ' 91' ' ' GLU . 86.5 m-20 -59.64 -42.22 92.28 Favored 'General case' 0 C--O 1.203 -1.382 0 C-N-CA 120.201 -0.599 . . . . 0.0 110.575 178.743 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.529 ' O ' ' O ' ' B' ' 91' ' ' GLU . 75.5 m-85 -66.04 -36.14 82.45 Favored 'General case' 0 C--N 1.31 -1.109 0 C-N-CA 117.021 -1.872 . . . . 0.0 110.583 178.714 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -64.91 -61.87 1.91 Allowed 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 119.608 -0.837 . . . . 0.0 112.094 -178.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.509 ' C ' ' CD1' ' B' ' 90' ' ' TRP . 19.7 t-105 -68.82 -43.0 76.45 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 121.606 0.717 . . . . 0.0 111.62 179.058 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.669 ' HB2' ' O ' ' B' ' 87' ' ' ASN . 67.6 mm-40 -98.54 148.8 23.4 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.604 -1.18 . . . . 0.0 111.401 -179.048 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 59.29 43.94 16.1 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.683 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 31.5 p . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 118.049 -0.977 . . . . 0.0 110.483 -179.932 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' HCS . . . . . 0.512 ' SD ' ' N ' ' A' ' 201' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 201' ' ' HCS . . . . . 0.517 ' N ' ' SD ' ' B' ' 201' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.522 ' O ' ' OE1' ' B' ' 40' ' ' GLU . . . . . . . . 0 CA--C 1.525 0.693 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.8 m -81.8 9.92 7.18 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.725 0.298 . . . . 0.0 110.573 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -59.99 -36.55 77.42 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -178.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.504 HD23 ' O ' ' A' ' 4' ' ' LEU . 5.6 tt -60.71 -41.19 94.75 Favored 'General case' 0 C--O 1.239 0.54 0 C-N-CA 118.983 -1.087 . . . . 0.0 108.125 -178.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -65.29 -37.58 87.62 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.208 178.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.7 m -59.14 -40.83 86.73 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 179.21 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.03 -46.17 82.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.206 -0.907 . . . . 0.0 110.55 179.202 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 99.3 mtp -59.49 -41.52 90.03 Favored 'General case' 0 C--O 1.249 1.062 0 CA-C-O 121.809 0.814 . . . . 0.0 109.728 179.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.35 -35.3 80.55 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.116 177.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 47.7 m -64.24 -43.06 96.07 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 119.773 -0.771 . . . . 0.0 110.022 179.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 37.8 mt -61.67 -42.8 99.41 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 119.162 -1.015 . . . . 0.0 108.557 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.1 mt -61.28 -45.59 98.31 Favored 'Isoleucine or valine' 0 C--O 1.232 0.133 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.249 178.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -62.42 -41.6 98.81 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 -178.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.7 m -74.1 -40.88 51.93 Favored 'Isoleucine or valine' 0 C--O 1.257 1.459 0 C-N-CA 119.303 -0.959 . . . . 0.0 111.3 -179.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.429 ' CE2' ' CG ' ' A' ' 71' ' ' PHE . 82.3 t80 -59.93 -47.32 86.26 Favored 'General case' 0 CA--C 1.508 -0.67 0 C-N-CA 119.809 -0.756 . . . . 0.0 109.437 177.593 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -66.02 -33.76 76.53 Favored 'General case' 0 CA--C 1.504 -0.793 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.547 178.065 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.526 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . -58.86 -52.47 65.59 Favored 'General case' 0 N--CA 1.437 -1.103 0 C-N-CA 118.766 -1.174 . . . . 0.0 110.172 -178.462 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.466 ' ND1' ' HG ' ' A' ' 36' ' ' LEU . 43.8 m80 -78.74 -47.85 16.03 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 118.8 -1.16 . . . . 0.0 113.432 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.1 t -58.58 -43.5 89.48 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 119.906 -0.718 . . . . 0.0 110.915 -179.135 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -75.91 -43.98 20.73 Favored Glycine 0 CA--C 1.527 0.841 0 C-N-CA 120.975 -0.631 . . . . 0.0 111.641 179.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.526 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 6.9 ttpm? -59.04 -39.82 83.18 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 -179.198 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.492 ' OE2' ' OE1' ' A' ' 35' ' ' GLU . 97.1 mt-10 -121.73 147.37 46.0 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 -178.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 52.95 -142.07 27.88 Favored Glycine 0 C--N 1.334 0.436 0 CA-C-N 114.754 -1.112 . . . . 0.0 112.586 177.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -70.67 146.97 49.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 114.934 -0.633 . . . . 0.0 109.803 179.434 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -85.68 149.77 25.08 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 -179.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.431 ' CE2' ' CZ3' ' B' ' 90' ' ' TRP . 88.7 m-85 60.36 15.79 5.74 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 112.184 0.438 . . . . 0.0 112.184 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.3 tptt -135.79 137.63 41.8 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 106.443 -1.688 . . . . 0.0 106.443 176.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.457 ' C ' ' OE2' ' A' ' 68' ' ' GLU . 13.7 tp -114.46 129.65 56.67 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 120.239 -0.584 . . . . 0.0 111.474 -175.551 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.446 ' CA ' ' OE2' ' A' ' 68' ' ' GLU . 41.0 t -105.53 159.13 16.18 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 122.484 0.313 . . . . 0.0 110.79 179.589 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.4 ttpt -52.94 -46.98 68.37 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-O 121.123 0.487 . . . . 0.0 111.786 -178.156 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.603 ' CG ' ' N ' ' A' ' 32' ' ' GLU . 54.0 pttt -59.88 -48.05 83.28 Favored 'General case' 0 N--CA 1.44 -0.926 0 C-N-CA 119.982 -0.687 . . . . 0.0 109.736 -178.508 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.603 ' N ' ' CG ' ' A' ' 31' ' ' LYS . 94.9 mt-10 -63.44 -48.3 78.31 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.231 -0.895 . . . . 0.0 112.318 -178.321 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 pp -62.75 -33.93 76.17 Favored 'General case' 0 CA--C 1.498 -1.028 0 C-N-CA 118.466 -1.294 . . . . 0.0 110.094 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.738 ' NZ ' HE22 ' A' ' 38' ' ' GLN . 0.9 OUTLIER -54.53 -36.75 64.59 Favored 'General case' 0 N--CA 1.434 -1.231 0 C-N-CA 117.785 -1.566 . . . . 0.0 107.497 178.13 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.853 ' O ' HG23 ' A' ' 39' ' ' THR . 97.2 mt-10 -75.48 -41.21 56.01 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 178.659 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.742 HD23 ' O ' ' A' ' 36' ' ' LEU . 2.7 tt -65.42 -46.01 81.66 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 120.073 -0.651 . . . . 0.0 111.472 -177.117 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.577 ' O ' ' N ' ' A' ' 41' ' ' LEU . 1.1 mm? -65.05 -43.37 92.52 Favored 'General case' 0 CA--C 1.52 -0.196 0 C-N-CA 119.08 -1.048 . . . . 0.0 111.206 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.738 HE22 ' NZ ' ' A' ' 34' ' ' LYS . 95.7 mt-30 -64.25 -39.49 94.06 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.492 -0.483 . . . . 0.0 111.934 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.853 HG23 ' O ' ' A' ' 35' ' ' GLU . 64.6 p -71.1 -38.21 72.37 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.112 -0.635 . . . . 0.0 111.259 -179.725 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.52 ' OE1' ' O ' ' B' ' 1' ' ' GLY . 79.2 mm-40 -92.76 -52.36 4.66 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.577 ' N ' ' O ' ' A' ' 37' ' ' LEU . 29.1 mt -104.09 141.46 36.18 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 121.155 0.503 . . . . 0.0 111.242 -179.352 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.2 m -113.53 -67.63 0.98 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.493 178.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.87 -37.79 91.36 Favored Glycine 0 CA--C 1.532 1.097 0 CA-C-N 115.562 -0.745 . . . . 0.0 113.89 -178.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -60.18 -52.75 63.98 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 118.0 0.9 . . . . 0.0 112.171 -178.077 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -75.78 -41.12 53.91 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 120.343 -0.543 . . . . 0.0 111.344 178.251 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 57.0 t0 -60.87 -32.98 72.39 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.554 -0.748 . . . . 0.0 112.346 -179.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.1 -37.78 75.18 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -177.202 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -63.29 -33.87 76.44 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 119.742 -0.783 . . . . 0.0 109.318 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt 72.19 -40.21 0.47 Allowed 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.004 -0.998 . . . . 0.0 112.467 179.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -71.14 142.68 50.72 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.459 -0.497 . . . . 0.0 111.837 -179.155 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.5 ' O ' HG12 ' A' ' 54' ' ' VAL . 5.2 m -71.48 -30.08 37.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 178.292 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -61.39 -26.48 67.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.582 -1.19 . . . . 0.0 109.779 178.28 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.516 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -52.27 -38.0 57.01 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.066 -0.97 . . . . 0.0 111.707 -177.141 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.594 HG13 ' N ' ' A' ' 55' ' ' ASP . 7.5 p -59.88 -43.94 93.19 Favored 'Isoleucine or valine' 0 C--O 1.238 0.467 0 C-N-CA 119.152 -1.019 . . . . 0.0 109.923 179.156 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.594 ' N ' HG13 ' A' ' 54' ' ' VAL . 88.8 m-20 -62.54 -43.4 98.91 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.025 179.195 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -60.99 -39.43 89.63 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.476 179.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 53' ' ' ALA . 76.1 t -65.81 -45.15 92.33 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.381 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.787 -179.604 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.499 ' CE ' ' O ' ' A' ' 67' ' ' GLY . 0.3 OUTLIER -70.92 -34.73 71.81 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 -178.721 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.422 ' N ' ' HG3' ' A' ' 58' ' ' MET . 13.9 mtmt -60.14 -40.89 91.41 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 113.239 0.829 . . . . 0.0 113.239 -178.312 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -71.76 -36.71 70.49 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 119.686 -0.806 . . . . 0.0 110.683 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.402 ' O ' ' CD ' ' A' ' 73' ' ' GLU . 93.2 mt -67.7 -34.43 76.86 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-N 115.87 -0.604 . . . . 0.0 112.288 179.58 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.613 ' OD2' ' N ' ' A' ' 67' ' ' GLY . 50.7 t0 -75.53 93.02 2.95 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 118.69 -1.204 . . . . 0.0 111.265 -178.064 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 79.5 tt0 -63.71 -45.82 88.26 Favored 'General case' 0 CA--C 1.507 -0.676 0 CA-C-O 122.612 1.196 . . . . 0.0 111.23 177.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 30.9 m120 -59.2 -33.29 70.79 Favored 'General case' 0 C--N 1.299 -1.623 0 CA-C-N 112.476 -2.147 . . . . 0.0 112.452 -178.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.37 19.34 66.78 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 108.056 -2.018 . . . . 0.0 108.056 -176.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.589 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 48.5 p30 -86.66 5.6 35.19 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 114.203 -0.999 . . . . 0.0 112.405 -178.449 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.613 ' N ' ' OD2' ' A' ' 62' ' ' ASP . . . 64.15 -2.36 2.23 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.317 -1.113 . . . . 0.0 110.317 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.511 ' H ' ' C ' ' A' ' 66' ' ' ASP . 37.7 tp10 -114.69 140.5 48.8 Favored 'General case' 0 C--O 1.239 0.519 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 -179.676 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 48.1 t -102.26 132.67 47.8 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.475 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 -179.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.494 ' C ' ' OD1' ' A' ' 70' ' ' ASP . 28.7 p30 -101.55 172.12 7.16 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.896 -178.491 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.429 ' CG ' ' CE2' ' A' ' 15' ' ' PHE . 0.9 OUTLIER -54.36 -45.25 72.71 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.36 -0.837 . . . . 0.0 110.944 -178.504 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -61.58 -41.14 96.98 Favored 'General case' 0 C--O 1.245 0.864 0 O-C-N 121.505 -0.747 . . . . 0.0 111.846 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.472 ' O ' HG22 ' A' ' 76' ' ' VAL . 94.6 mt-10 -64.7 -41.99 95.61 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 122.174 0.987 . . . . 0.0 109.909 179.452 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -63.55 -40.82 98.0 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-O 122.391 1.091 . . . . 0.0 110.211 178.188 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.608 HG13 ' HB1' ' B' ' 79' ' ' ALA . 0.5 OUTLIER -60.2 -47.5 91.88 Favored 'Isoleucine or valine' 0 C--O 1.247 0.96 0 CA-C-N 113.848 -1.524 . . . . 0.0 109.882 -179.083 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.472 HG22 ' O ' ' A' ' 73' ' ' GLU . 15.6 m -67.46 -34.42 68.48 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.546 0 C-N-CA 117.669 -1.612 . . . . 0.0 109.101 178.516 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 48.0 tp -55.76 -51.76 66.29 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 118.762 -1.175 . . . . 0.0 111.998 178.135 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 34.7 m -69.47 -35.53 67.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 118.607 -1.237 . . . . 0.0 111.815 -178.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.715 ' HB2' ' HB2' ' B' ' 79' ' ' ALA . . . -68.38 -48.12 65.57 Favored 'General case' 0 C--O 1.25 1.079 0 C-N-CA 118.933 -1.107 . . . . 0.0 111.759 -179.642 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.05 -39.86 95.99 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.0 179.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.9 mp -65.52 -34.53 78.48 Favored 'General case' 0 C--O 1.219 -0.514 0 C-N-CA 119.22 -0.992 . . . . 0.0 109.994 176.588 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 36.6 m -62.93 -50.43 70.86 Favored 'General case' 0 C--O 1.248 1.008 0 C-N-CA 119.576 -0.849 . . . . 0.0 111.248 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.4 p -63.89 -38.37 82.18 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 119.163 -1.015 . . . . 0.0 110.543 178.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.53 -30.33 71.06 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.972 178.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 12.6 t -69.12 -54.3 15.68 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.418 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -55.75 -40.93 73.24 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 118.439 -1.305 . . . . 0.0 108.425 178.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -59.97 -37.5 79.79 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.886 177.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.526 ' O ' ' O ' ' A' ' 91' ' ' GLU . 67.2 t80 -63.33 -46.85 84.75 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.059 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.42 ' O ' ' CB ' ' A' ' 93' ' ' SER . 67.7 t80 -65.65 -52.48 51.42 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.314 -0.554 . . . . 0.0 111.988 -179.325 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.496 ' CD1' ' C ' ' A' ' 90' ' ' TRP . 21.2 t-105 -63.35 -39.24 93.99 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 121.297 0.57 . . . . 0.0 112.296 179.773 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.554 ' OE1' ' N ' ' A' ' 92' ' ' ASN . 2.8 tm-20 -100.91 143.28 31.25 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.062 -177.236 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.554 ' N ' ' OE1' ' A' ' 91' ' ' GLU . 18.7 t-20 58.98 45.3 15.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.503 -179.283 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.42 ' CB ' ' O ' ' A' ' 89' ' ' PHE . 41.3 t . . . . . 0 C--O 1.221 -0.426 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.54 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . 0.52 ' O ' ' OE1' ' A' ' 40' ' ' GLU . . . . . . . . 0 CA--C 1.525 0.674 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 75.8 m -81.85 9.95 7.19 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.775 0.321 . . . . 0.0 110.605 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -59.83 -36.82 77.59 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -178.473 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.503 HD23 ' O ' ' B' ' 4' ' ' LEU . 5.6 tt -60.47 -41.31 93.9 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 118.99 -1.084 . . . . 0.0 108.185 -178.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -65.24 -37.67 87.97 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.186 178.209 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 44.3 m -59.08 -40.64 85.88 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 179.204 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.24 -46.1 81.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.557 179.2 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 99.2 mtp -59.6 -41.54 90.54 Favored 'General case' 0 C--O 1.25 1.09 0 CA-C-O 121.692 0.758 . . . . 0.0 109.761 179.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.18 -36.15 83.31 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.32 -0.855 . . . . 0.0 109.987 177.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 45.9 m -63.42 -43.21 98.13 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 119.733 -0.787 . . . . 0.0 110.212 179.205 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 44.3 mt -61.67 -42.71 99.29 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 119.181 -1.007 . . . . 0.0 108.635 179.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.1 mt -61.29 -45.6 98.29 Favored 'Isoleucine or valine' 0 C--O 1.232 0.147 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.26 178.531 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -62.31 -41.65 98.71 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 -178.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 13.7 m -74.07 -40.91 52.13 Favored 'Isoleucine or valine' 0 C--O 1.256 1.401 0 C-N-CA 119.338 -0.945 . . . . 0.0 111.337 -179.305 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.425 ' CE2' ' CG ' ' B' ' 71' ' ' PHE . 82.6 t80 -59.88 -47.33 86.18 Favored 'General case' 0 CA--C 1.507 -0.678 0 C-N-CA 119.822 -0.751 . . . . 0.0 109.479 177.535 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -65.98 -33.83 76.71 Favored 'General case' 0 CA--C 1.504 -0.813 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.594 178.028 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.534 ' O ' ' CB ' ' B' ' 21' ' ' LYS . . . -58.86 -52.46 65.62 Favored 'General case' 0 N--CA 1.437 -1.104 0 C-N-CA 118.801 -1.159 . . . . 0.0 110.159 -178.489 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.505 ' HA ' ' HZ1' ' B' ' 21' ' ' LYS . 43.7 m80 -78.64 -48.0 15.93 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 118.794 -1.162 . . . . 0.0 113.462 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 47.1 t -58.5 -43.62 89.13 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 119.944 -0.702 . . . . 0.0 110.888 -179.16 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -75.89 -43.96 20.9 Favored Glycine 0 CA--C 1.526 0.764 0 C-N-CA 120.953 -0.641 . . . . 0.0 111.648 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.534 ' CB ' ' O ' ' B' ' 17' ' ' ALA . 6.9 ttpm? -59.0 -39.83 83.01 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 -179.252 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.478 ' OE2' ' OE1' ' B' ' 35' ' ' GLU . 97.2 mt-10 -121.8 147.48 45.9 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 113.758 1.021 . . . . 0.0 113.758 -178.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 52.87 -142.09 27.46 Favored Glycine 0 C--N 1.335 0.486 0 CA-C-N 114.714 -1.13 . . . . 0.0 112.538 177.443 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -70.56 146.84 49.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 114.959 -0.621 . . . . 0.0 109.891 179.375 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 9.3 mtmp? -85.58 149.68 25.18 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 -179.33 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.427 ' CE2' ' CZ3' ' A' ' 90' ' ' TRP . 88.7 m-85 60.55 15.65 5.83 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 112.049 0.389 . . . . 0.0 112.049 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 33.0 tptt -135.74 137.78 42.03 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 106.512 -1.662 . . . . 0.0 106.512 176.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.473 ' C ' ' OE2' ' B' ' 68' ' ' GLU . 13.7 tp -114.57 129.64 56.69 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 120.224 -0.59 . . . . 0.0 111.455 -175.466 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.46 ' CA ' ' OE2' ' B' ' 68' ' ' GLU . 41.7 t -105.5 159.06 16.23 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.765 179.614 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 23.4 ttpt -52.92 -46.87 68.26 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-O 121.23 0.538 . . . . 0.0 111.831 -178.178 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.595 ' HG3' ' N ' ' B' ' 32' ' ' GLU . 54.3 pttt -60.03 -48.13 82.99 Favored 'General case' 0 N--CA 1.44 -0.944 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.56 -178.413 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.595 ' N ' ' HG3' ' B' ' 31' ' ' LYS . 94.9 mt-10 -63.3 -48.35 78.48 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 115.278 -0.874 . . . . 0.0 112.323 -178.348 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 pp -62.83 -33.85 76.09 Favored 'General case' 0 CA--C 1.498 -1.048 0 C-N-CA 118.54 -1.264 . . . . 0.0 110.122 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.732 ' NZ ' HE22 ' B' ' 38' ' ' GLN . 0.9 OUTLIER -54.57 -36.64 64.59 Favored 'General case' 0 N--CA 1.435 -1.182 0 C-N-CA 117.714 -1.595 . . . . 0.0 107.533 178.028 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.869 ' O ' HG23 ' B' ' 39' ' ' THR . 97.2 mt-10 -75.55 -41.19 55.53 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 178.654 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.737 HD23 ' O ' ' B' ' 36' ' ' LEU . 2.8 tt -65.45 -45.91 81.91 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 120.041 -0.664 . . . . 0.0 111.535 -177.16 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.576 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 1.1 mm? -65.06 -43.43 92.29 Favored 'General case' 0 CA--C 1.521 -0.168 0 C-N-CA 119.123 -1.031 . . . . 0.0 111.188 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.732 HE22 ' NZ ' ' B' ' 34' ' ' LYS . 95.7 mt-30 -64.19 -39.62 94.38 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.521 -0.472 . . . . 0.0 111.92 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.869 HG23 ' O ' ' B' ' 35' ' ' GLU . 65.4 p -70.96 -38.27 72.81 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.17 -0.612 . . . . 0.0 111.304 -179.723 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.522 ' OE1' ' O ' ' A' ' 1' ' ' GLY . 79.3 mm-40 -92.78 -52.3 4.68 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 112.327 0.491 . . . . 0.0 112.327 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.576 ' N ' ' O ' ' B' ' 37' ' ' LEU . 28.8 mt -104.11 141.44 36.23 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 121.176 0.512 . . . . 0.0 111.269 -179.371 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.2 m -113.55 -67.55 0.99 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.53 178.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.96 -37.69 91.68 Favored Glycine 0 CA--C 1.531 1.09 0 CA-C-N 115.567 -0.742 . . . . 0.0 113.825 -178.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -60.23 -52.78 63.85 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 118.092 0.946 . . . . 0.0 112.078 -178.025 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -75.76 -41.28 53.57 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 120.346 -0.541 . . . . 0.0 111.265 178.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -60.65 -33.13 72.34 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.562 -0.744 . . . . 0.0 112.367 -179.217 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.04 -37.82 75.08 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -177.174 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -63.27 -33.86 76.42 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 119.7 -0.8 . . . . 0.0 109.333 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt 72.17 -40.21 0.47 Allowed 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.048 -0.978 . . . . 0.0 112.473 179.342 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -71.14 142.66 50.73 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.43 -0.508 . . . . 0.0 111.795 -179.178 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . 0.502 ' O ' HG12 ' B' ' 54' ' ' VAL . 5.2 m -71.42 -30.03 37.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 178.198 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -61.44 -26.44 67.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.564 -1.198 . . . . 0.0 109.833 178.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.516 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -52.33 -37.92 57.23 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.987 -1.006 . . . . 0.0 111.689 -177.106 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.593 HG13 ' N ' ' B' ' 55' ' ' ASP . 7.7 p -59.99 -43.92 93.54 Favored 'Isoleucine or valine' 0 C--O 1.238 0.47 0 C-N-CA 119.094 -1.043 . . . . 0.0 109.904 179.186 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.593 ' N ' HG13 ' B' ' 54' ' ' VAL . 88.5 m-20 -62.45 -43.42 98.85 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.107 179.116 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -60.92 -39.54 89.79 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.409 179.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.516 HG23 ' O ' ' B' ' 53' ' ' ALA . 76.2 t -65.74 -45.19 92.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.804 -179.601 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.503 ' CE ' ' O ' ' B' ' 67' ' ' GLY . 0.3 OUTLIER -70.84 -34.8 72.05 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 -178.763 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.409 ' N ' ' HG3' ' B' ' 58' ' ' MET . 13.9 mtmt -60.11 -40.9 91.28 Favored 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 113.261 0.837 . . . . 0.0 113.261 -178.306 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -71.73 -36.71 70.57 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 119.59 -0.844 . . . . 0.0 110.696 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 93.2 mt -67.72 -34.45 76.89 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.212 179.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.604 ' OD2' ' N ' ' B' ' 67' ' ' GLY . 50.7 t0 -75.46 93.11 2.92 Favored 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 118.714 -1.194 . . . . 0.0 111.244 -178.088 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 79.5 tt0 -63.91 -45.73 87.98 Favored 'General case' 0 CA--C 1.508 -0.642 0 CA-C-O 122.604 1.193 . . . . 0.0 111.165 177.063 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -59.12 -33.36 70.78 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-N 112.549 -2.114 . . . . 0.0 112.536 -178.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.42 19.29 66.77 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 108.025 -2.03 . . . . 0.0 108.025 -177.024 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.589 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 48.7 p30 -86.63 5.57 35.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 114.258 -0.971 . . . . 0.0 112.471 -178.472 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.604 ' N ' ' OD2' ' B' ' 62' ' ' ASP . . . 64.23 -2.41 2.26 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.271 -1.132 . . . . 0.0 110.271 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.513 ' H ' ' C ' ' B' ' 66' ' ' ASP . 37.1 tp10 -114.73 140.59 48.75 Favored 'General case' 0 C--O 1.24 0.604 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 -179.637 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 48.3 t -102.34 132.72 47.8 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.405 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 -179.315 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.495 ' C ' ' OD1' ' B' ' 70' ' ' ASP . 29.4 p30 -101.43 172.19 7.13 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 120.327 -0.549 . . . . 0.0 110.98 -178.55 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.425 ' CG ' ' CE2' ' B' ' 15' ' ' PHE . 0.9 OUTLIER -54.37 -45.36 72.79 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.795 -178.502 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -61.53 -41.31 97.13 Favored 'General case' 0 C--O 1.244 0.804 0 C-N-CA 119.952 -0.699 . . . . 0.0 111.78 -179.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.469 ' O ' HG22 ' B' ' 76' ' ' VAL . 94.6 mt-10 -64.62 -41.99 95.81 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-O 122.202 1.001 . . . . 0.0 109.97 179.485 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -63.46 -40.89 98.32 Favored 'General case' 0 C--O 1.241 0.644 0 CA-C-N 114.804 -1.089 . . . . 0.0 110.197 178.128 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.611 HG13 ' HB1' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -60.24 -47.49 91.98 Favored 'Isoleucine or valine' 0 C--O 1.248 1.005 0 CA-C-N 113.931 -1.486 . . . . 0.0 109.831 -178.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.469 HG22 ' O ' ' B' ' 73' ' ' GLU . 15.5 m -67.34 -34.51 69.37 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.531 0 C-N-CA 117.735 -1.586 . . . . 0.0 109.12 178.481 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 47.9 tp -55.66 -51.82 65.94 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 118.785 -1.166 . . . . 0.0 112.049 178.124 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 34.7 m -69.49 -35.49 66.89 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.263 0 C-N-CA 118.552 -1.259 . . . . 0.0 111.796 -178.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.715 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . . . -68.44 -48.13 65.37 Favored 'General case' 0 C--O 1.249 1.061 0 C-N-CA 118.923 -1.111 . . . . 0.0 111.714 -179.608 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.9 -39.93 96.0 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.036 179.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 5.8 mp -65.58 -34.56 78.52 Favored 'General case' 0 C--O 1.22 -0.45 0 C-N-CA 119.244 -0.982 . . . . 0.0 109.903 176.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 36.8 m -62.89 -50.45 70.83 Favored 'General case' 0 C--O 1.247 0.948 0 C-N-CA 119.578 -0.849 . . . . 0.0 111.163 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 13.5 p -63.88 -38.34 82.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 C-N-CA 119.121 -1.031 . . . . 0.0 110.522 178.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.49 -30.37 71.14 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 121.135 0.493 . . . . 0.0 110.06 178.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 12.4 t -69.07 -54.25 16.08 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.429 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -55.87 -40.98 73.7 Favored 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 118.396 -1.322 . . . . 0.0 108.378 178.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -59.88 -37.42 79.33 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.962 177.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.529 ' O ' ' O ' ' B' ' 91' ' ' GLU . 67.3 t80 -63.33 -46.97 84.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . 0.418 ' O ' ' CB ' ' B' ' 93' ' ' SER . 68.1 t80 -65.7 -52.4 51.68 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 120.266 -0.574 . . . . 0.0 111.949 -179.186 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.495 ' CD1' ' C ' ' B' ' 90' ' ' TRP . 21.1 t-105 -63.35 -39.3 94.16 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.277 0.56 . . . . 0.0 112.301 179.766 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.547 ' OE1' ' N ' ' B' ' 92' ' ' ASN . 2.9 tm-20 -100.82 143.24 31.21 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.124 -177.289 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . 0.547 ' N ' ' OE1' ' B' ' 91' ' ' GLU . 18.8 t-20 59.0 45.35 15.01 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.458 -179.286 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . 0.418 ' CB ' ' O ' ' B' ' 89' ' ' PHE . 41.3 t . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.525 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 201' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.701 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.8 p -124.14 154.96 39.28 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -61.94 -38.43 88.44 Favored 'General case' 0 C--O 1.24 0.579 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 -178.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.622 HD23 ' O ' ' A' ' 4' ' ' LEU . 1.7 tt -61.74 -41.65 97.93 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 118.982 -1.087 . . . . 0.0 108.408 -178.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -65.14 -37.69 88.23 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.523 178.061 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.7 m -59.59 -42.21 92.05 Favored 'General case' 0 C--O 1.239 0.511 0 C-N-CA 119.837 -0.745 . . . . 0.0 109.356 179.495 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.85 -45.09 91.07 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.114 179.123 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.406 ' SD ' HD22 ' A' ' 4' ' ' LEU . 99.4 mtp -60.18 -40.83 91.37 Favored 'General case' 0 C--O 1.245 0.868 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.362 179.615 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.56 -36.58 84.69 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 120.174 -0.611 . . . . 0.0 109.513 177.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 58.6 m -63.86 -42.03 97.64 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 119.529 -0.869 . . . . 0.0 110.036 178.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.471 ' HB2' HG21 ' B' ' 82' ' ' THR . 37.2 mt -59.12 -43.21 91.95 Favored 'General case' 0 C--O 1.241 0.634 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 179.774 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 98.4 mt -62.09 -45.16 99.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 114.726 -1.124 . . . . 0.0 111.893 178.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -61.16 -41.24 96.42 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -178.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.1 m -72.91 -37.76 54.98 Favored 'Isoleucine or valine' 0 C--O 1.255 1.348 0 C-N-CA 118.915 -1.114 . . . . 0.0 110.135 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.58 ' O ' ' HD2' ' A' ' 18' ' ' HIS . 86.4 t80 -59.77 -42.56 93.6 Favored 'General case' 0 C--O 1.241 0.623 0 C-N-CA 119.206 -0.997 . . . . 0.0 109.926 177.357 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -67.85 -35.26 78.24 Favored 'General case' 0 N--CA 1.437 -1.108 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.82 177.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.587 ' O ' ' HB2' ' A' ' 21' ' ' LYS . . . -59.29 -50.59 73.39 Favored 'General case' 0 N--CA 1.437 -1.099 0 C-N-CA 118.929 -1.108 . . . . 0.0 111.235 -178.325 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.69 ' CG ' HD12 ' A' ' 36' ' ' LEU . 0.5 OUTLIER -81.31 -48.99 11.26 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 117.218 -1.793 . . . . 0.0 113.767 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.605 ' H ' ' CD2' ' A' ' 18' ' ' HIS . 23.2 t -60.92 -40.23 92.39 Favored 'General case' 0 C--N 1.351 0.636 0 C-N-CA 118.458 -1.297 . . . . 0.0 109.829 -179.479 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -73.54 -44.93 31.16 Favored Glycine 0 C--N 1.343 0.956 0 CA-C-N 115.777 -0.647 . . . . 0.0 112.449 179.061 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.587 ' HB2' ' O ' ' A' ' 17' ' ' ALA . 5.8 ttpm? -58.8 -43.34 90.53 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.124 -0.63 . . . . 0.0 111.291 -179.579 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.505 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 97.0 mt-10 -132.78 145.4 50.97 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 120.563 -0.455 . . . . 0.0 111.303 178.339 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.66 -162.98 54.38 Favored Glycine 0 CA--C 1.521 0.464 0 N-CA-C 111.384 -0.686 . . . . 0.0 111.384 178.006 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -68.88 143.66 54.45 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 178.215 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.439 ' O ' ' OG ' ' A' ' 19' ' ' SER . 25.5 mtmm -60.05 -32.14 70.64 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 -177.645 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.601 ' OH ' ' CE3' ' B' ' 90' ' ' TRP . 98.3 m-85 -107.29 19.69 19.99 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 113.342 0.868 . . . . 0.0 113.342 -178.065 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.421 ' HZ3' ' HG2' ' A' ' 68' ' ' GLU . 16.7 tptm -139.65 140.36 36.9 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 119.103 -1.039 . . . . 0.0 109.23 179.509 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.478 ' C ' ' OE2' ' A' ' 68' ' ' GLU . 17.8 tp -117.65 130.7 56.53 Favored 'General case' 0 CA--C 1.528 0.112 0 C-N-CA 120.555 -0.458 . . . . 0.0 111.984 -177.074 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.463 ' CA ' ' OE2' ' A' ' 68' ' ' GLU . 80.9 p -105.07 166.08 10.64 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 179.314 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.4 ttpm? -52.98 -47.0 68.51 Favored 'General case' 0 C--O 1.241 0.634 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 -177.077 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.583 ' HG3' ' N ' ' A' ' 32' ' ' GLU . 51.2 pttt -59.5 -46.51 88.62 Favored 'General case' 0 N--CA 1.439 -1.0 0 C-N-CA 119.729 -0.788 . . . . 0.0 109.885 -178.501 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.583 ' N ' ' HG3' ' A' ' 31' ' ' LYS . 93.0 mt-10 -61.3 -51.29 69.5 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 119.845 -0.742 . . . . 0.0 111.798 -177.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.07 -37.27 76.68 Favored 'General case' 0 CA--C 1.507 -0.679 0 C-N-CA 116.954 -1.898 . . . . 0.0 109.363 178.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.0 tptm -54.13 -36.36 63.19 Favored 'General case' 0 N--CA 1.439 -1.004 0 C-N-CA 118.152 -1.419 . . . . 0.0 108.197 -179.438 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.888 ' O ' HG23 ' A' ' 39' ' ' THR . 76.9 mm-40 -73.8 -43.37 59.07 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 120.114 -0.634 . . . . 0.0 112.523 178.784 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.82 HD23 ' O ' ' A' ' 36' ' ' LEU . 5.9 tt -67.03 -46.68 73.7 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 118.48 -1.288 . . . . 0.0 111.977 -177.349 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.55 ' O ' ' O ' ' A' ' 41' ' ' LEU . 2.9 mm? -59.35 -43.38 92.79 Favored 'General case' 0 CA--C 1.514 -0.418 0 C-N-CA 118.463 -1.295 . . . . 0.0 110.368 -178.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -64.13 -38.98 93.01 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.244 -0.582 . . . . 0.0 111.604 178.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.888 HG23 ' O ' ' A' ' 35' ' ' GLU . 61.9 p -71.54 -34.43 70.02 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 -179.091 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -101.01 -57.66 2.05 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 112.654 0.612 . . . . 0.0 112.654 -179.121 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.55 ' O ' ' O ' ' A' ' 37' ' ' LEU . 30.5 mt -96.68 143.29 27.77 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.183 0.516 . . . . 0.0 111.09 -178.325 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.53 ' OG ' ' N ' ' A' ' 43' ' ' GLY . 90.6 p -111.57 -76.72 0.59 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.773 179.371 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.53 ' N ' ' OG ' ' A' ' 42' ' ' SER . . . -57.15 -36.03 72.89 Favored Glycine 0 CA--C 1.532 1.094 0 CA-C-N 115.663 -0.699 . . . . 0.0 114.021 -178.613 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -60.49 -57.78 11.27 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 118.196 0.998 . . . . 0.0 112.543 -177.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.463 HD13 ' O ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -72.88 -40.59 65.47 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-O 121.703 0.763 . . . . 0.0 110.037 -179.794 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.433 ' CB ' ' O ' ' A' ' 42' ' ' SER . 59.5 t0 -62.5 -29.94 70.91 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 114.549 -1.205 . . . . 0.0 113.069 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.5 ' HB2' ' O ' ' A' ' 43' ' ' GLY . . . -54.69 -34.13 61.87 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -176.116 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 91.6 mm-40 -62.31 -36.33 81.82 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 119.532 -0.867 . . . . 0.0 109.199 179.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.536 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 98.2 mttt 61.37 36.3 17.53 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.172 -0.922 . . . . 0.0 112.92 178.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.536 ' OD1' ' O ' ' A' ' 49' ' ' LYS . 92.3 m-20 -144.66 149.02 34.96 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 120.974 -0.291 . . . . 0.0 110.561 178.167 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.562 ' O ' HG12 ' A' ' 54' ' ' VAL . 6.8 m -72.84 -32.65 41.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 N-CA-C 108.955 -0.758 . . . . 0.0 108.955 178.151 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -62.01 -30.04 70.68 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 114.832 -1.076 . . . . 0.0 110.529 178.39 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.546 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -53.42 -37.24 62.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.194 -0.912 . . . . 0.0 112.298 -176.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.562 HG12 ' O ' ' A' ' 51' ' ' VAL . 9.0 p -61.24 -43.59 96.77 Favored 'Isoleucine or valine' 0 C--O 1.24 0.598 0 C-N-CA 118.678 -1.209 . . . . 0.0 109.999 179.154 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.554 ' N ' HG13 ' A' ' 54' ' ' VAL . 92.5 m-20 -61.92 -43.47 98.78 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.06 179.055 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 55.7 mttm -62.25 -39.25 92.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.378 179.198 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 53' ' ' ALA . 61.6 t -65.32 -44.19 94.87 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.475 0 CA-C-N 115.504 -0.771 . . . . 0.0 112.644 -178.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.428 ' CE ' ' O ' ' A' ' 67' ' ' GLY . 0.0 OUTLIER -66.27 -32.68 74.24 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 119.262 -0.975 . . . . 0.0 113.545 -179.011 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 36.2 mmtt -60.1 -41.35 92.37 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 -178.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -72.36 -35.43 68.51 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 119.417 -0.913 . . . . 0.0 110.572 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 79.3 mt -67.33 -34.84 78.19 Favored 'General case' 0 CA--C 1.509 -0.612 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.456 179.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.538 ' OD2' ' N ' ' A' ' 66' ' ' ASP . 41.2 t0 -71.61 78.15 0.82 Allowed 'General case' 0 N--CA 1.443 -0.789 0 C-N-CA 118.954 -1.098 . . . . 0.0 110.841 -178.235 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -64.09 -38.21 90.25 Favored 'General case' 0 CA--C 1.501 -0.916 0 CA-C-O 123.156 1.455 . . . . 0.0 107.399 176.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.473 ' OD1' ' CG ' ' A' ' 66' ' ' ASP . 17.3 t-20 -58.39 -39.4 79.55 Favored 'General case' 0 N--CA 1.432 -1.336 0 CA-C-N 111.568 -2.56 . . . . 0.0 112.122 178.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.511 ' H ' ' CG ' ' A' ' 62' ' ' ASP . . . 87.33 12.99 66.54 Favored Glycine 0 CA--C 1.533 1.188 0 C-N-CA 121.136 -0.554 . . . . 0.0 112.753 178.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.538 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 55.0 p30 -91.18 5.47 48.92 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 -179.689 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.428 ' O ' ' CE ' ' A' ' 58' ' ' MET . . . 71.22 1.95 45.15 Favored Glycine 0 N--CA 1.466 0.686 0 N-CA-C 110.092 -1.203 . . . . 0.0 110.092 179.628 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.478 ' OE2' ' C ' ' A' ' 28' ' ' LEU . 44.2 tp10 -117.33 144.24 45.11 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 -179.687 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.419 ' HA ' ' OE1' ' A' ' 73' ' ' GLU . 59.7 t -99.65 132.5 45.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 C-N-CA 120.691 -0.404 . . . . 0.0 109.991 -178.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.504 ' C ' ' OD1' ' A' ' 70' ' ' ASP . 16.8 p30 -104.75 171.65 7.21 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 119.938 -0.705 . . . . 0.0 110.075 -179.339 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -53.84 -45.0 70.77 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.368 -178.634 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -61.34 -40.28 93.65 Favored 'General case' 0 C--O 1.243 0.762 0 C-N-CA 120.034 -0.666 . . . . 0.0 111.545 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.482 ' O ' HG22 ' A' ' 76' ' ' VAL . 79.3 mt-10 -64.62 -42.49 95.46 Favored 'General case' 0 C--O 1.243 0.734 0 CA-C-O 122.105 0.955 . . . . 0.0 109.887 179.744 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -63.42 -41.23 98.69 Favored 'General case' 0 C--O 1.245 0.862 0 CA-C-O 122.413 1.101 . . . . 0.0 110.448 177.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.623 HG13 ' HB1' ' B' ' 79' ' ' ALA . 0.5 OUTLIER -59.51 -47.91 89.17 Favored 'Isoleucine or valine' 0 C--O 1.251 1.162 0 CA-C-N 113.802 -1.545 . . . . 0.0 109.77 -179.11 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.482 HG22 ' O ' ' A' ' 73' ' ' GLU . 15.3 m -67.48 -34.46 68.63 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.604 0 C-N-CA 117.856 -1.538 . . . . 0.0 109.245 178.513 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.537 ' O ' HD13 ' A' ' 81' ' ' LEU . 35.3 tp -55.36 -51.94 65.13 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 118.593 -1.243 . . . . 0.0 111.605 178.06 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 34.9 m -68.55 -36.12 73.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 C-N-CA 118.151 -1.419 . . . . 0.0 111.692 -178.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.734 ' HB2' ' HB2' ' B' ' 79' ' ' ALA . . . -67.78 -48.57 65.96 Favored 'General case' 0 C--O 1.251 1.171 0 C-N-CA 118.816 -1.154 . . . . 0.0 112.043 -179.283 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.14 -39.9 96.03 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.153 179.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.537 HD13 ' O ' ' A' ' 77' ' ' LEU . 9.4 mp -64.66 -34.85 79.25 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 119.139 -1.024 . . . . 0.0 109.832 176.642 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.469 HG21 ' HB2' ' B' ' 11' ' ' LEU . 52.3 m -63.0 -50.06 72.2 Favored 'General case' 0 C--O 1.246 0.891 0 C-N-CA 119.752 -0.779 . . . . 0.0 111.633 179.463 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 14.5 p -63.21 -38.73 82.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 118.894 -1.122 . . . . 0.0 110.321 178.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.87 -30.97 71.99 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 121.188 0.518 . . . . 0.0 109.859 178.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 36.0 t -67.8 -54.81 16.2 Favored 'General case' 0 CA--C 1.509 -0.601 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.734 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -56.75 -42.83 79.99 Favored 'General case' 0 C--O 1.24 0.575 0 C-N-CA 118.669 -1.212 . . . . 0.0 109.508 179.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -59.93 -38.18 81.63 Favored 'General case' 0 C--O 1.22 -0.465 0 C-N-CA 119.955 -0.698 . . . . 0.0 109.338 178.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.523 ' O ' ' O ' ' A' ' 91' ' ' GLU . 67.1 t80 -62.29 -45.61 92.5 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.184 -179.64 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -66.41 -54.88 19.23 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.389 -0.525 . . . . 0.0 112.149 -179.048 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.615 ' CE3' ' OH ' ' B' ' 26' ' ' TYR . 25.2 t-105 -64.87 -40.46 95.16 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.191 0.52 . . . . 0.0 112.355 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.585 ' OE1' ' N ' ' A' ' 92' ' ' ASN . 1.5 tm-20 -97.05 143.38 27.94 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.567 -178.098 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.585 ' N ' ' OE1' ' A' ' 91' ' ' GLU . 49.6 t-20 -55.15 -36.96 66.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.246 -179.259 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 17.5 t . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 117.946 -1.026 . . . . 0.0 110.477 -179.892 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.666 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 87.5 p -124.13 155.07 39.08 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -61.99 -38.41 88.5 Favored 'General case' 0 C--O 1.24 0.59 0 N-CA-C 112.862 0.69 . . . . 0.0 112.862 -178.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.625 HD23 ' O ' ' B' ' 4' ' ' LEU . 1.7 tt -61.79 -41.53 97.85 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 118.96 -1.096 . . . . 0.0 108.461 -178.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -65.17 -37.74 88.34 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.555 178.015 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 46.1 m -59.63 -42.1 91.93 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 119.84 -0.744 . . . . 0.0 109.289 179.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.0 -44.98 90.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.116 179.195 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . 0.414 ' SD ' HD22 ' B' ' 4' ' ' LEU . 99.3 mtp -60.22 -40.7 91.07 Favored 'General case' 0 C--O 1.246 0.895 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.446 179.564 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.6 -37.3 87.1 Favored 'General case' 0 CA--C 1.51 -0.581 0 C-N-CA 120.026 -0.67 . . . . 0.0 109.417 177.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 56.8 m -62.98 -42.3 99.8 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 119.634 -0.826 . . . . 0.0 110.224 178.495 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.469 ' HB2' HG21 ' A' ' 82' ' ' THR . 42.4 mt -59.22 -43.03 92.32 Favored 'General case' 0 C--O 1.241 0.643 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 179.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 98.3 mt -62.14 -45.06 99.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 114.758 -1.11 . . . . 0.0 111.892 178.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -61.27 -41.19 96.52 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -178.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 17.3 m -72.92 -37.79 54.94 Favored 'Isoleucine or valine' 0 C--O 1.254 1.331 0 C-N-CA 118.928 -1.109 . . . . 0.0 110.136 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.581 ' O ' ' HD2' ' B' ' 18' ' ' HIS . 86.5 t80 -59.78 -42.54 93.55 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-O 122.235 1.017 . . . . 0.0 109.906 177.368 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -67.91 -35.18 78.01 Favored 'General case' 0 N--CA 1.437 -1.113 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.806 177.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.582 ' O ' ' HB2' ' B' ' 21' ' ' LYS . . . -59.38 -50.62 73.24 Favored 'General case' 0 N--CA 1.438 -1.07 0 C-N-CA 118.987 -1.085 . . . . 0.0 111.204 -178.342 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.694 ' CG ' HD12 ' B' ' 36' ' ' LEU . 0.5 OUTLIER -81.28 -49.01 11.26 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 117.245 -1.782 . . . . 0.0 113.718 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.611 ' H ' ' CD2' ' B' ' 18' ' ' HIS . 23.3 t -60.95 -40.29 92.74 Favored 'General case' 0 C--N 1.352 0.701 0 C-N-CA 118.439 -1.305 . . . . 0.0 109.805 -179.438 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -73.44 -44.81 32.2 Favored Glycine 0 C--N 1.343 0.942 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.516 179.039 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.582 ' HB2' ' O ' ' B' ' 17' ' ' ALA . 5.8 ttpm? -58.86 -43.36 90.81 Favored 'General case' 0 N--CA 1.463 0.184 0 C-N-CA 120.032 -0.667 . . . . 0.0 111.255 -179.613 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.512 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 97.0 mt-10 -132.72 145.48 51.07 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 120.538 -0.465 . . . . 0.0 111.256 178.406 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.7 -163.01 54.39 Favored Glycine 0 CA--C 1.521 0.468 0 N-CA-C 111.405 -0.678 . . . . 0.0 111.405 177.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -68.88 143.48 54.5 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 178.124 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.439 ' O ' ' OG ' ' B' ' 19' ' ' SER . 25.6 mtmm -60.0 -32.17 70.61 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -177.559 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.615 ' OH ' ' CE3' ' A' ' 90' ' ' TRP . 98.4 m-85 -107.21 19.66 20.05 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 -178.089 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.424 ' HZ3' ' HG2' ' B' ' 68' ' ' GLU . 16.3 tptm -139.65 140.48 36.94 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 119.034 -1.066 . . . . 0.0 109.254 179.444 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.466 ' C ' ' OE2' ' B' ' 68' ' ' GLU . 17.8 tp -117.69 130.74 56.53 Favored 'General case' 0 C--N 1.333 -0.123 0 C-N-CA 120.544 -0.463 . . . . 0.0 112.009 -177.126 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.471 ' CA ' ' OE2' ' B' ' 68' ' ' GLU . 82.3 p -105.0 166.02 10.67 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 179.289 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 6.4 ttpm? -52.87 -47.08 68.07 Favored 'General case' 0 C--O 1.24 0.566 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -177.182 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.594 ' HG3' ' N ' ' B' ' 32' ' ' GLU . 51.2 pttt -59.61 -46.51 88.76 Favored 'General case' 0 N--CA 1.44 -0.971 0 C-N-CA 119.651 -0.82 . . . . 0.0 109.767 -178.438 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.594 ' N ' ' HG3' ' B' ' 31' ' ' LYS . 93.0 mt-10 -61.22 -51.32 69.47 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 119.82 -0.752 . . . . 0.0 111.81 -177.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.07 -37.31 76.78 Favored 'General case' 0 CA--C 1.508 -0.637 0 C-N-CA 117.079 -1.848 . . . . 0.0 109.316 179.022 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 12.0 tptm -54.11 -36.33 63.12 Favored 'General case' 0 N--CA 1.439 -1.023 0 C-N-CA 118.164 -1.415 . . . . 0.0 108.219 -179.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.893 ' O ' HG23 ' B' ' 39' ' ' THR . 76.8 mm-40 -73.86 -43.48 58.47 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 120.087 -0.645 . . . . 0.0 112.437 178.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.83 HD23 ' O ' ' B' ' 36' ' ' LEU . 5.8 tt -66.83 -46.74 74.2 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 118.548 -1.261 . . . . 0.0 112.03 -177.392 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.557 ' O ' ' O ' ' B' ' 41' ' ' LEU . 2.9 mm? -59.38 -43.32 92.92 Favored 'General case' 0 CA--C 1.516 -0.357 0 C-N-CA 118.49 -1.284 . . . . 0.0 110.366 -178.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -64.21 -38.97 92.97 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.262 -0.575 . . . . 0.0 111.575 178.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.893 HG23 ' O ' ' B' ' 35' ' ' GLU . 61.9 p -71.57 -34.35 69.86 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 -179.098 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -101.01 -57.81 2.02 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 -179.11 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.557 ' O ' ' O ' ' B' ' 37' ' ' LEU . 30.4 mt -96.66 143.33 27.72 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.24 0.543 . . . . 0.0 111.126 -178.305 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.524 ' OG ' ' N ' ' B' ' 43' ' ' GLY . 91.6 p -111.55 -76.77 0.59 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.757 179.43 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . 0.524 ' N ' ' OG ' ' B' ' 42' ' ' SER . . . -57.1 -36.06 72.67 Favored Glycine 0 CA--C 1.532 1.143 0 CA-C-N 115.588 -0.733 . . . . 0.0 113.96 -178.593 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -60.47 -57.72 11.52 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 118.209 1.004 . . . . 0.0 112.592 -177.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.456 HD13 ' O ' ' B' ' 45' ' ' LEU . 0.2 OUTLIER -72.95 -40.58 65.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.732 0.777 . . . . 0.0 109.978 -179.796 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.444 ' CB ' ' O ' ' B' ' 42' ' ' SER . 59.6 t0 -62.59 -29.95 70.97 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 114.575 -1.193 . . . . 0.0 113.058 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . 0.495 ' HB2' ' O ' ' B' ' 43' ' ' GLY . . . -54.6 -34.18 61.59 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -176.215 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 91.6 mm-40 -62.26 -36.37 81.86 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 119.528 -0.869 . . . . 0.0 109.233 179.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.557 ' O ' ' OD1' ' B' ' 50' ' ' ASP . 98.2 mttt 61.46 36.3 17.24 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.127 -0.942 . . . . 0.0 112.862 178.74 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . 0.557 ' OD1' ' O ' ' B' ' 49' ' ' LYS . 92.2 m-20 -144.67 148.99 34.9 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 120.931 -0.307 . . . . 0.0 110.605 178.179 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . 0.563 ' O ' HG12 ' B' ' 54' ' ' VAL . 7.1 m -72.82 -32.72 41.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 178.221 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -62.04 -29.96 70.64 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 114.921 -1.036 . . . . 0.0 110.491 178.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.537 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -53.42 -37.27 62.37 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.19 -0.914 . . . . 0.0 112.302 -176.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.563 HG12 ' O ' ' B' ' 51' ' ' VAL . 9.2 p -61.24 -43.64 96.86 Favored 'Isoleucine or valine' 0 C--O 1.241 0.65 0 C-N-CA 118.755 -1.178 . . . . 0.0 109.881 179.254 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.546 ' N ' HG13 ' B' ' 54' ' ' VAL . 92.2 m-20 -61.87 -43.61 98.5 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.06 179.049 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 55.8 mttm -62.04 -39.31 91.9 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.444 179.15 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.537 HG23 ' O ' ' B' ' 53' ' ' ALA . 62.1 t -65.3 -44.31 94.9 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.427 0 CA-C-N 115.435 -0.802 . . . . 0.0 112.589 -178.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.427 ' CE ' ' O ' ' B' ' 67' ' ' GLY . 0.0 OUTLIER -66.14 -32.76 74.39 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 119.291 -0.964 . . . . 0.0 113.546 -179.001 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 36.1 mmtt -60.13 -41.34 92.46 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 113.129 0.789 . . . . 0.0 113.129 -178.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -72.33 -35.42 68.57 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 119.435 -0.906 . . . . 0.0 110.556 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 79.3 mt -67.38 -34.74 77.9 Favored 'General case' 0 CA--C 1.509 -0.612 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.504 179.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.541 ' OD2' ' N ' ' B' ' 66' ' ' ASP . 41.2 t0 -71.73 78.22 0.85 Allowed 'General case' 0 N--CA 1.442 -0.85 0 C-N-CA 118.91 -1.116 . . . . 0.0 110.787 -178.187 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -64.06 -38.19 90.17 Favored 'General case' 0 CA--C 1.5 -0.946 0 CA-C-O 123.13 1.443 . . . . 0.0 107.386 176.202 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.476 ' OD1' ' OD2' ' B' ' 66' ' ' ASP . 17.3 t-20 -58.51 -39.37 79.91 Favored 'General case' 0 C--N 1.305 -1.347 0 CA-C-N 111.575 -2.557 . . . . 0.0 112.141 179.057 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.514 ' H ' ' CG ' ' B' ' 62' ' ' ASP . . . 87.42 12.95 66.4 Favored Glycine 0 CA--C 1.533 1.186 0 C-N-CA 121.176 -0.535 . . . . 0.0 112.711 178.726 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.541 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 54.8 p30 -91.09 5.41 49.06 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -179.614 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.427 ' O ' ' CE ' ' B' ' 58' ' ' MET . . . 71.13 1.97 44.72 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.138 -1.185 . . . . 0.0 110.138 179.735 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.471 ' OE2' ' CA ' ' B' ' 29' ' ' SER . 43.8 tp10 -117.39 144.33 45.07 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 -179.647 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.423 ' HA ' ' OE1' ' B' ' 73' ' ' GLU . 59.9 t -99.77 132.63 44.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 C-N-CA 120.645 -0.422 . . . . 0.0 109.983 -178.732 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.511 ' C ' ' OD1' ' B' ' 70' ' ' ASP . 17.4 p30 -104.71 171.56 7.26 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 120.026 -0.67 . . . . 0.0 110.094 -179.33 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -53.87 -45.0 70.89 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.318 -178.666 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -61.35 -40.21 93.46 Favored 'General case' 0 C--O 1.244 0.783 0 C-N-CA 120.009 -0.677 . . . . 0.0 111.637 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.476 ' O ' HG22 ' B' ' 76' ' ' VAL . 79.3 mt-10 -64.59 -42.48 95.57 Favored 'General case' 0 C--O 1.242 0.661 0 CA-C-O 122.11 0.957 . . . . 0.0 109.908 179.665 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -63.42 -41.31 98.69 Favored 'General case' 0 C--O 1.244 0.785 0 CA-C-O 122.462 1.125 . . . . 0.0 110.446 177.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.621 HG13 ' HB1' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -59.53 -47.81 89.56 Favored 'Isoleucine or valine' 0 C--O 1.252 1.189 0 CA-C-N 113.725 -1.58 . . . . 0.0 109.74 -179.042 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.476 HG22 ' O ' ' B' ' 73' ' ' GLU . 15.3 m -67.6 -34.35 67.63 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.588 0 C-N-CA 117.792 -1.563 . . . . 0.0 109.277 178.534 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.536 ' O ' HD13 ' B' ' 81' ' ' LEU . 34.9 tp -55.38 -51.93 65.22 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 118.576 -1.25 . . . . 0.0 111.619 178.046 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 34.8 m -68.5 -36.15 73.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 C-N-CA 118.168 -1.413 . . . . 0.0 111.733 -178.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.734 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . . . -67.79 -48.52 66.06 Favored 'General case' 0 C--O 1.252 1.207 0 C-N-CA 118.883 -1.127 . . . . 0.0 112.052 -179.313 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.21 -39.89 95.93 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.536 HD13 ' O ' ' B' ' 77' ' ' LEU . 9.3 mp -64.58 -34.95 79.44 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 119.091 -1.044 . . . . 0.0 109.796 176.636 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.471 HG21 ' HB2' ' A' ' 11' ' ' LEU . 52.9 m -62.95 -50.02 72.44 Favored 'General case' 0 C--O 1.246 0.889 0 C-N-CA 119.776 -0.77 . . . . 0.0 111.592 179.65 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 14.5 p -63.21 -38.74 82.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 118.927 -1.109 . . . . 0.0 110.296 178.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.99 -30.84 71.86 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-O 121.198 0.523 . . . . 0.0 109.865 178.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 36.1 t -67.85 -54.8 16.16 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.707 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -56.65 -42.93 79.77 Favored 'General case' 0 C--O 1.238 0.494 0 C-N-CA 118.669 -1.212 . . . . 0.0 109.611 179.532 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -59.92 -38.22 81.73 Favored 'General case' 0 C--O 1.22 -0.451 0 C-N-CA 119.929 -0.708 . . . . 0.0 109.302 178.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.524 ' O ' ' O ' ' B' ' 91' ' ' GLU . 67.3 t80 -62.26 -45.65 92.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.101 -179.613 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -66.41 -54.89 19.15 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 120.39 -0.524 . . . . 0.0 112.125 -178.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.601 ' CE3' ' OH ' ' A' ' 26' ' ' TYR . 25.2 t-105 -64.8 -40.54 95.4 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.159 0.504 . . . . 0.0 112.308 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.582 ' OE1' ' N ' ' B' ' 92' ' ' ASN . 1.5 tm-20 -96.99 143.3 27.98 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.674 -178.065 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . 0.582 ' N ' ' OE1' ' B' ' 91' ' ' GLU . 49.6 t-20 -55.1 -36.9 66.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.293 -179.226 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 17.7 t . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 118.051 -0.976 . . . . 0.0 110.523 -179.858 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 201' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_